1/* Mutagenesis dataset from
    2Srinivasan A, Muggleton S, Sternberg MJE, King RD (1996) 
    3Theories for mutagenicity: A study in first-order and feature-based induction. 
    4AI 85(1-2):277-299
    5
    6Downloaded from
    7http://www.doc.ic.ac.uk/~shm/mutagenesis.html
    8
    9Used in
   10Nicola Di Mauro, Elena Bellodi, and Fabrizio Riguzzi. Bandit-based Monte-Carlo 
   11structure learning of probabilistic logic programs. 
   12Machine Learning, 100(1):127-156, July 2015
   13Elena Bellodi and Fabrizio Riguzzi. Structure learning of probabilistic logic 
   14programs by searching the clause space. 
   15Theory and Practice of Logic Programming, 15(2):169-212, 2015
   16
   17*/

   26:- use_module(library(liftcover)).   27
   28:- if(current_predicate(use_rendering/1)).   29:- use_rendering(c3).   30:- use_rendering(lpad).   31:- endif.   32
   33
   34:-lift.   35
   36:-set_lift(megaex_bottom,4).   37:-set_lift(neg_ex,given).   38bg([]).
   39
   40
   41in([
   42(active:0.5 :-
   43  lumo(A),
   44  bond(B,C,2),
   45  atm(C,n,32,D)
   46),
   47(active:0.5 :-
   48  lumo(A),
   49  atm(B,o,40,C),
   50  atm(D,n,32,C)
   51),
   52(active:0.5 :-
   53  atm(A,o,40,B),
   54  atm(C,n,32,B)
   55),
   56(active:0.5 :-
   57  atm(A,c,28,B)
   58),
   59(active:0.5 :-
   60  lumo(A),
   61  bond(B,C,2),
   62  bond(C,D,1)
   63),
   64(active:0.5 :-
   65  lumo(A),
   66  bond(B,C,2),
   67  bond(D,C,1)
   68),
   69(active:0.5 :-
   70  benzene(A),
   71  ring_size_5(B)
   72),
   73(active:0.5 :-
   74  atm(A,c,29,B)
   75),
   76(active:0.5 :-
   77  lumo(A),
   78  bond(B,C,2),
   79  ring_size_5(D)
   80),
   81(active:0.5 :-
   82  lumo(A),
   83  atm(B,h,3,C),
   84  ring_size_5(D)
   85)]).
   86
   87fold(1,[d18,d26,d28,d51,d63,d67,d107,d127,d137,d151,d174,d178,d85,d92,
   88  d38,d84,d100,d116,d160]).
   89fold(2,[d10,d61,d86,d94,d105,d128,d173,d183,d29,
   90  d42,d147,d186,d3,d5,d39,d78,d142,d182,d185]).
   91fold(3,[d46,d52,d57,d80,d82,d125,d152,d169,d21,d22,d108,d180,
   92  d119,d34,d65,d66,d143,d154,d181]).
   93fold(4,[d1,d12,d20,d31,d83,d115,d164,d165,d166,d184,d16,d99,d102,d145,d161,d170,
   94 d114,d19,d133]).
   95fold(5,[d6,d15,d69,d71,d87,d95,d104,d109,d177,d187,d44,d93,d97,d106,
   96 d132,d141,d73,d76,d113]).
   97fold(6,[d25,d45,d54,d58,d75,d101,d140,d149,d159,d171,d8,d47,d121,d134,
   98  d70,d77,d111,d62,d179]).
   99fold(7,[d13,d24,d43,d64,d72,d79,d90,d122,d126,d163,d172,d30,d37,
  100  d2,d17,d120,d130,d131,d129]).
  101fold(8,[d11,d27,d53,d56,d68,d146,d33,d74,
  102  d188,d7,d9,d14,d36,d40,d123,d135,d150,d155,d175]).
  103fold(9,[d4,d41,d49,d50,d59,d96,d117,d136,d153,d23,d32,d158,d167,d176,
  104  d98,d88,d124,d139,d168]).
  105fold(10,[d48,d60,d112,d148,d157,d35,d81,d91,d103,d118,d162,
  106  d89,d138,d144,d55,d110,d156]).
  107
  108output(active/0).
  109
  110input_cw(lumo/1).
  111input_cw(logp/2).
  112input_cw(bond/3).
  113input_cw(atm/4).
  114input_cw(benzene/1).
  115input_cw(carbon_5_aromatic_ring/1).
  116input_cw(carbon_6_ring/1).
  117input_cw(hetero_aromatic_6_ring/1).
  118input_cw(hetero_aromatic_5_ring/1).
  119input_cw(ring_size_6/1).
  120input_cw(ring_size_5/1).
  121input_cw(nitro/1).
  122input_cw(methyl/1).
  123input_cw(anthracene/1).
  124input_cw(phenanthrene/1).
  125input_cw(ball3/1).
  126
  127
  128modeh(1,active).
  129
  130modeb(1,lumo(-energy)).
  131modeb(1,logp(-hydrophob)).
  132modeb(*,atm(-atomid,-#element,-#int,-charge)).
  133modeb(*,bond(-atomid,-atomid,-#int)).
  134modeb(1,(+charge) >= (#charge)).
  135modeb(1,(+charge) =< (#charge)).
  136modeb(1,(+charge)= #charge).
  137modeb(1,(+hydrophob) >= (#hydrophob)).
  138modeb(1,(+hydrophob) =< (#hydrophob)).
  139modeb(1,(+hydrophob)= #hydrophob).
  140modeb(1,(+energy) >= (#energy)).
  141modeb(1,(+energy) =< (#energy)).
  142modeb(1,(+energy)= #energy).
  143
  144modeb(*,benzene(-ring)).
  145modeb(*,carbon_5_aromatic_ring(-ring)).
  146modeb(*,carbon_6_ring(-ring)).
  147modeb(*,hetero_aromatic_6_ring(-ring)).
  148modeb(*,hetero_aromatic_5_ring(-ring)).
  149modeb(*,ring_size_6(-ring)).
  150modeb(*,ring_size_5(-ring)).
  151modeb(*,nitro(-ring)).
  152modeb(*,methyl(-ring)).
  153modeb(*,anthracene(-ringlist)).
  154modeb(*,phenanthrene(-ringlist)).
  155modeb(*,ball3(-ringlist)).
  156
  157modeb(*,member(-ring,+ringlist)).
  158modeb(1,member(+ring,+ringlist)).
  159
  160
  161lookahead(logp(B),[(B=_C)]).
  162lookahead(logp(B),[>=(B,_C)]).
  163lookahead(logp(B),[=<(B,_C)]).
  164lookahead(lumo(B),[(B=_C)]).
  165lookahead(lumo(B),[>=(B,_C)]).
  166lookahead(lumo(B),[=<(B,_C)]).
  167%lookahead(atm(_,_,_,_,C),[>=(C,_)]).
  168%lookahead(atm(_,_,_,_,C),[=<(C,_)]).
  169%lookahead(atm(_,_,_,_,C),[(C=_)]).
  170
  171determination(active/0,lumo/1).
  172determination(active/0,logp/2).
  173determination(active/0,bond/3).
  174determination(active/0,atm/4).
  175determination(active/0,benzene/1).
  176determination(active/0,carbon_5_aromatic_ring/1).
  177determination(active/0,carbon_6_ring/1).
  178determination(active/0,hetero_aromatic_6_ring/1).
  179determination(active/0,hetero_aromatic_5_ring/1).
  180determination(active/0,ring_size_6/1).
  181determination(active/0,ring_size_5/1).
  182determination(active/0,nitro/1).
  183determination(active/0,methyl/1).
  184determination(active/0,anthracene/1).
  185determination(active/0,phenanthrene/1).
  186determination(active/0,ball3/1).
  187
  188
  189
  190%begin(model(s1)).
  191% fold 1
  192active(d18).
  193active(d26).
  194active(d28).
  195active(d51).
  196active(d63).
  197active(d67).
  198active(d107).
  199active(d127).
  200active(d137).
  201active(d151).
  202active(d174).
  203active(d178).
  204active(d85).
  205active(d92).
  206
  207neg(active(d38)).
  208neg(active(d84)).
  209neg(active(d100)).
  210neg(active(d116)).
  211neg(active(d160)).
  212
  213% fold 2
  214active(d10).
  215active(d61).
  216active(d86).
  217active(d94).
  218active(d105).
  219active(d128).
  220active(d173).
  221active(d183).
  222active(d29).
  223
  224neg(active(d42)).
  225neg(active(d147)).
  226neg(active(d186)).
  227neg(active(d3)).
  228neg(active(d5)).
  229neg(active(d39)).
  230neg(active(d78)).
  231neg(active(d142)).
  232neg(active(d182)).
  233neg(active(d185)).
  234
  235% fold 3
  236
  237active(d46).
  238active(d52).
  239active(d57).
  240active(d80).
  241active(d82).
  242active(d125).
  243active(d152).
  244active(d169).
  245active(d21).
  246active(d22).
  247active(d108).
  248active(d180).
  249
  250neg(active(d119)).
  251neg(active(d34)).
  252neg(active(d65)).
  253neg(active(d66)).
  254neg(active(d143)).
  255neg(active(d154)).
  256neg(active(d181)).
  257
  258% fold 4
  259active(d1).
  260active(d12).
  261active(d20).
  262active(d31).
  263active(d83).
  264active(d115).
  265active(d164).
  266active(d165).
  267active(d166).
  268active(d184).
  269active(d16).
  270active(d99).
  271active(d102).
  272active(d145).
  273active(d161).
  274active(d170).
  275
  276neg(active(d114)).
  277neg(active(d19)).
  278neg(active(d133)).
  279
  280% fold 5
  281active(d6).
  282active(d15).
  283active(d69).
  284active(d71).
  285active(d87).
  286active(d95).
  287active(d104).
  288active(d109).
  289active(d177).
  290active(d187).
  291active(d44).
  292active(d93).
  293active(d97).
  294active(d106).
  295
  296neg(active(d132)).
  297neg(active(d141)).
  298neg(active(d73)).
  299neg(active(d76)).
  300neg(active(d113)).
  301
  302% fold 6
  303active(d25).
  304active(d45).
  305active(d54).
  306active(d58).
  307active(d75).
  308active(d101).
  309active(d140).
  310active(d149).
  311active(d159).
  312active(d171).
  313active(d8).
  314active(d47).
  315active(d121).
  316active(d134).
  317
  318neg(active(d70)).
  319neg(active(d77)).
  320neg(active(d111)).
  321neg(active(d62)).
  322neg(active(d179)).
  323
  324% fold 7
  325active(d13).
  326active(d24).
  327active(d43).
  328active(d64).
  329active(d72).
  330active(d79).
  331active(d90).
  332active(d122).
  333active(d126).
  334active(d163).
  335active(d172).
  336active(d30).
  337active(d37).
  338
  339neg(active(d2)).
  340neg(active(d17)).
  341neg(active(d120)).
  342neg(active(d130)).
  343neg(active(d131)).
  344neg(active(d129)).
  345
  346% fold 8
  347active(d11).
  348active(d27).
  349active(d53).
  350active(d56).
  351active(d68).
  352active(d146).
  353active(d33).
  354active(d74).
  355
  356neg(active(d188)).
  357neg(active(d7)).
  358neg(active(d9)).
  359neg(active(d14)).
  360neg(active(d36)).
  361neg(active(d40)).
  362neg(active(d123)).
  363neg(active(d135)).
  364neg(active(d150)).
  365neg(active(d155)).
  366neg(active(d175)).
  367
  368% fold 9
  369active(d4).
  370active(d41).
  371active(d49).
  372active(d50).
  373active(d59).
  374active(d96).
  375active(d117).
  376active(d136).
  377active(d153).
  378active(d23).
  379active(d32).
  380active(d158).
  381active(d167).
  382active(d176).
  383
  384neg(active(d98)).
  385neg(active(d88)).
  386neg(active(d124)).
  387neg(active(d139)).
  388neg(active(d168)).
  389
  390% fold 10
  391active(d48).
  392active(d60).
  393active(d112).
  394active(d148).
  395active(d157).
  396active(d35).
  397active(d81).
  398active(d91).
  399active(d103).
  400active(d118).
  401active(d162).
  402
  403neg(active(d89)).
  404neg(active(d138)).
  405neg(active(d144)).
  406neg(active(d55)).
  407neg(active(d110)).
  408neg(active(d156)).
  409
  410
  411atm(d1,d1_1,c,22,-0.117).
  412atm(d1,d1_2,c,22,-0.117).
  413atm(d1,d1_3,c,22,-0.117).
  414atm(d1,d1_4,c,195,-0.087).
  415atm(d1,d1_5,c,195,0.013).
  416atm(d1,d1_6,c,22,-0.117).
  417atm(d1,d1_7,h,3,0.142).
  418atm(d1,d1_8,h,3,0.143).
  419atm(d1,d1_9,h,3,0.142).
  420atm(d1,d1_10,h,3,0.142).
  421atm(d1,d1_11,c,27,-0.087).
  422atm(d1,d1_12,c,27,0.013).
  423atm(d1,d1_13,c,22,-0.117).
  424atm(d1,d1_14,c,22,-0.117).
  425atm(d1,d1_15,h,3,0.143).
  426atm(d1,d1_16,h,3,0.143).
  427atm(d1,d1_17,c,22,-0.117).
  428atm(d1,d1_18,c,22,-0.117).
  429atm(d1,d1_19,c,22,-0.117).
  430atm(d1,d1_20,c,22,-0.117).
  431atm(d1,d1_21,h,3,0.142).
  432atm(d1,d1_22,h,3,0.143).
  433atm(d1,d1_23,h,3,0.142).
  434atm(d1,d1_24,n,38,0.812).
  435atm(d1,d1_25,o,40,-0.388).
  436atm(d1,d1_26,o,40,-0.388).
  437
  438bond(d1,d1_1,d1_2,7).
  439bond(d1,d1_2,d1_3,7).
  440bond(d1,d1_3,d1_4,7).
  441bond(d1,d1_4,d1_5,7).
  442bond(d1,d1_5,d1_6,7).
  443bond(d1,d1_6,d1_1,7).
  444bond(d1,d1_1,d1_7,1).
  445bond(d1,d1_2,d1_8,1).
  446bond(d1,d1_3,d1_9,1).
  447bond(d1,d1_6,d1_10,1).
  448bond(d1,d1_4,d1_11,7).
  449bond(d1,d1_11,d1_12,7).
  450bond(d1,d1_12,d1_13,7).
  451bond(d1,d1_13,d1_14,7).
  452bond(d1,d1_14,d1_5,7).
  453bond(d1,d1_13,d1_15,1).
  454bond(d1,d1_14,d1_16,1).
  455bond(d1,d1_11,d1_17,7).
  456bond(d1,d1_17,d1_18,7).
  457bond(d1,d1_18,d1_19,7).
  458bond(d1,d1_19,d1_20,7).
  459bond(d1,d1_20,d1_12,7).
  460bond(d1,d1_17,d1_21,1).
  461bond(d1,d1_18,d1_22,1).
  462bond(d1,d1_20,d1_23,1).
  463bond(d1,d1_24,d1_19,1).
  464bond(d1,d1_24,d1_25,2).
  465bond(d1,d1_24,d1_26,2).
  466atm(d10,d10_1,c,22,-0.119).
  467atm(d10,d10_2,c,22,-0.119).
  468atm(d10,d10_3,c,22,-0.119).
  469atm(d10,d10_4,c,29,0.011).
  470atm(d10,d10_5,c,22,-0.119).
  471atm(d10,d10_6,c,22,-0.118).
  472atm(d10,d10_7,c,22,-0.119).
  473atm(d10,d10_8,c,22,-0.119).
  474atm(d10,d10_9,c,22,-0.168).
  475atm(d10,d10_10,c,22,-0.119).
  476atm(d10,d10_11,c,22,-0.118).
  477atm(d10,d10_12,c,29,0.011).
  478atm(d10,d10_13,c,10,0.011).
  479atm(d10,d10_14,n,38,0.812).
  480atm(d10,d10_15,o,40,-0.388).
  481atm(d10,d10_16,o,40,-0.388).
  482atm(d10,d10_17,c,10,0.011).
  483atm(d10,d10_18,h,3,0.142).
  484atm(d10,d10_19,h,3,0.142).
  485atm(d10,d10_20,h,3,0.142).
  486atm(d10,d10_21,h,3,0.142).
  487atm(d10,d10_22,h,3,0.142).
  488atm(d10,d10_23,h,3,0.142).
  489atm(d10,d10_24,h,3,0.061).
  490atm(d10,d10_25,h,3,0.061).
  491atm(d10,d10_26,h,3,0.061).
  492atm(d10,d10_27,h,3,0.061).
  493atm(d10,d10_28,h,3,0.061).
  494
  495bond(d10,d10_1,d10_2,7).
  496bond(d10,d10_2,d10_3,7).
  497bond(d10,d10_3,d10_4,7).
  498bond(d10,d10_4,d10_5,7).
  499bond(d10,d10_5,d10_6,7).
  500bond(d10,d10_6,d10_1,7).
  501bond(d10,d10_7,d10_8,7).
  502bond(d10,d10_8,d10_9,7).
  503bond(d10,d10_9,d10_10,7).
  504bond(d10,d10_10,d10_11,7).
  505bond(d10,d10_11,d10_12,7).
  506bond(d10,d10_12,d10_7,7).
  507bond(d10,d10_4,d10_12,1).
  508bond(d10,d10_3,d10_13,1).
  509bond(d10,d10_13,d10_7,1).
  510bond(d10,d10_1,d10_14,1).
  511bond(d10,d10_14,d10_15,2).
  512bond(d10,d10_14,d10_16,2).
  513bond(d10,d10_9,d10_17,1).
  514bond(d10,d10_2,d10_18,1).
  515bond(d10,d10_5,d10_19,1).
  516bond(d10,d10_6,d10_20,1).
  517bond(d10,d10_8,d10_21,1).
  518bond(d10,d10_10,d10_22,1).
  519bond(d10,d10_11,d10_23,1).
  520bond(d10,d10_17,d10_24,1).
  521bond(d10,d10_17,d10_25,1).
  522bond(d10,d10_17,d10_26,1).
  523bond(d10,d10_13,d10_27,1).
  524bond(d10,d10_13,d10_28,1).
  525atm(d100,d100_1,c,22,-0.128).
  526atm(d100,d100_2,c,22,-0.128).
  527atm(d100,d100_3,c,22,-0.128).
  528atm(d100,d100_4,c,29,0.002).
  529atm(d100,d100_5,c,22,-0.128).
  530atm(d100,d100_6,c,22,-0.128).
  531atm(d100,d100_7,h,3,0.132).
  532atm(d100,d100_8,h,3,0.132).
  533atm(d100,d100_9,h,3,0.132).
  534atm(d100,d100_10,h,3,0.132).
  535atm(d100,d100_11,c,29,0.002).
  536atm(d100,d100_12,c,22,-0.128).
  537atm(d100,d100_13,c,22,-0.128).
  538atm(d100,d100_14,c,22,-0.128).
  539atm(d100,d100_15,c,22,0.202).
  540atm(d100,d100_16,c,22,-0.128).
  541atm(d100,d100_17,h,3,0.132).
  542atm(d100,d100_18,h,3,0.132).
  543atm(d100,d100_19,h,3,0.132).
  544atm(d100,d100_20,h,3,0.132).
  545atm(d100,d100_21,n,32,-0.779).
  546atm(d100,d100_22,n,38,0.801).
  547atm(d100,d100_23,o,40,-0.398).
  548atm(d100,d100_24,o,40,-0.398).
  549atm(d100,d100_25,h,1,0.332).
  550atm(d100,d100_26,h,1,0.332).
  551
  552bond(d100,d100_1,d100_2,7).
  553bond(d100,d100_2,d100_3,7).
  554bond(d100,d100_3,d100_4,7).
  555bond(d100,d100_4,d100_5,7).
  556bond(d100,d100_5,d100_6,7).
  557bond(d100,d100_6,d100_1,7).
  558bond(d100,d100_1,d100_7,1).
  559bond(d100,d100_2,d100_8,1).
  560bond(d100,d100_3,d100_9,1).
  561bond(d100,d100_5,d100_10,1).
  562bond(d100,d100_11,d100_12,7).
  563bond(d100,d100_12,d100_13,7).
  564bond(d100,d100_13,d100_14,7).
  565bond(d100,d100_14,d100_15,7).
  566bond(d100,d100_15,d100_16,7).
  567bond(d100,d100_16,d100_11,7).
  568bond(d100,d100_12,d100_17,1).
  569bond(d100,d100_13,d100_18,1).
  570bond(d100,d100_14,d100_19,1).
  571bond(d100,d100_16,d100_20,1).
  572bond(d100,d100_4,d100_11,1).
  573bond(d100,d100_15,d100_21,1).
  574bond(d100,d100_6,d100_22,1).
  575bond(d100,d100_22,d100_23,2).
  576bond(d100,d100_22,d100_24,2).
  577bond(d100,d100_21,d100_25,1).
  578bond(d100,d100_21,d100_26,1).
  579atm(d101,d101_1,c,22,-0.121).
  580atm(d101,d101_2,c,22,-0.121).
  581atm(d101,d101_3,c,27,0.009).
  582atm(d101,d101_4,c,27,-0.091).
  583atm(d101,d101_5,c,27,0.009).
  584atm(d101,d101_6,c,22,-0.122).
  585atm(d101,d101_7,c,22,-0.121).
  586atm(d101,d101_8,c,22,-0.121).
  587atm(d101,d101_9,c,27,0.009).
  588atm(d101,d101_10,c,27,-0.091).
  589atm(d101,d101_11,c,27,0.009).
  590atm(d101,d101_12,c,22,0.009).
  591atm(d101,d101_13,c,22,0.009).
  592atm(d101,d101_14,c,22,-0.121).
  593atm(d101,d101_15,c,22,-0.121).
  594atm(d101,d101_16,c,22,-0.122).
  595atm(d101,d101_17,c,10,-0.091).
  596atm(d101,d101_18,c,10,-0.091).
  597atm(d101,d101_19,c,10,-0.091).
  598atm(d101,d101_20,c,10,-0.091).
  599atm(d101,d101_21,n,38,0.808).
  600atm(d101,d101_22,o,40,-0.392).
  601atm(d101,d101_23,o,40,-0.392).
  602atm(d101,d101_24,h,3,0.138).
  603atm(d101,d101_25,h,3,0.138).
  604atm(d101,d101_26,h,3,0.138).
  605atm(d101,d101_27,h,3,0.138).
  606atm(d101,d101_28,h,3,0.138).
  607atm(d101,d101_29,h,3,0.138).
  608atm(d101,d101_30,h,3,0.138).
  609atm(d101,d101_31,h,3,0.059).
  610atm(d101,d101_32,h,3,0.059).
  611atm(d101,d101_33,h,3,0.059).
  612atm(d101,d101_34,h,3,0.059).
  613atm(d101,d101_35,h,3,0.059).
  614atm(d101,d101_36,h,3,0.059).
  615atm(d101,d101_37,h,3,0.059).
  616atm(d101,d101_38,h,3,0.059).
  617
  618bond(d101,d101_1,d101_2,7).
  619bond(d101,d101_2,d101_3,7).
  620bond(d101,d101_3,d101_4,7).
  621bond(d101,d101_4,d101_5,7).
  622bond(d101,d101_5,d101_6,7).
  623bond(d101,d101_6,d101_1,7).
  624bond(d101,d101_3,d101_7,7).
  625bond(d101,d101_7,d101_8,7).
  626bond(d101,d101_8,d101_9,7).
  627bond(d101,d101_9,d101_10,7).
  628bond(d101,d101_10,d101_4,7).
  629bond(d101,d101_10,d101_11,7).
  630bond(d101,d101_11,d101_12,7).
  631bond(d101,d101_12,d101_13,7).
  632bond(d101,d101_13,d101_5,7).
  633bond(d101,d101_9,d101_14,7).
  634bond(d101,d101_14,d101_15,7).
  635bond(d101,d101_15,d101_16,7).
  636bond(d101,d101_16,d101_11,7).
  637bond(d101,d101_12,d101_17,1).
  638bond(d101,d101_17,d101_18,1).
  639bond(d101,d101_18,d101_19,1).
  640bond(d101,d101_19,d101_20,1).
  641bond(d101,d101_20,d101_13,1).
  642bond(d101,d101_14,d101_21,1).
  643bond(d101,d101_21,d101_22,2).
  644bond(d101,d101_21,d101_23,2).
  645bond(d101,d101_1,d101_24,1).
  646bond(d101,d101_2,d101_25,1).
  647bond(d101,d101_6,d101_26,1).
  648bond(d101,d101_7,d101_27,1).
  649bond(d101,d101_8,d101_28,1).
  650bond(d101,d101_15,d101_29,1).
  651bond(d101,d101_16,d101_30,1).
  652bond(d101,d101_20,d101_31,1).
  653bond(d101,d101_20,d101_32,1).
  654bond(d101,d101_19,d101_33,1).
  655bond(d101,d101_19,d101_34,1).
  656bond(d101,d101_17,d101_35,1).
  657bond(d101,d101_17,d101_36,1).
  658bond(d101,d101_18,d101_37,1).
  659bond(d101,d101_18,d101_38,1).
  660atm(d102,d102_1,c,22,-0.119).
  661atm(d102,d102_2,c,22,-0.119).
  662atm(d102,d102_3,c,22,0.111).
  663atm(d102,d102_4,c,29,0.011).
  664atm(d102,d102_5,c,22,-0.119).
  665atm(d102,d102_6,c,22,-0.119).
  666atm(d102,d102_7,h,3,0.141).
  667atm(d102,d102_8,h,3,0.141).
  668atm(d102,d102_9,c,22,0.111).
  669atm(d102,d102_10,c,22,-0.119).
  670atm(d102,d102_11,c,22,-0.119).
  671atm(d102,d102_12,c,22,-0.119).
  672atm(d102,d102_13,c,22,-0.119).
  673atm(d102,d102_14,c,29,0.011).
  674atm(d102,d102_15,h,3,0.141).
  675atm(d102,d102_16,h,3,0.141).
  676atm(d102,d102_17,c,14,0.56).
  677atm(d102,d102_18,o,40,-0.54).
  678atm(d102,d102_19,n,38,0.81).
  679atm(d102,d102_20,n,38,0.81).
  680atm(d102,d102_21,n,38,0.81).
  681atm(d102,d102_22,n,38,0.81).
  682atm(d102,d102_23,o,40,-0.39).
  683atm(d102,d102_24,o,40,-0.389).
  684atm(d102,d102_25,o,40,-0.389).
  685atm(d102,d102_26,o,40,-0.389).
  686atm(d102,d102_27,o,40,-0.389).
  687atm(d102,d102_28,o,40,-0.39).
  688atm(d102,d102_29,o,40,-0.39).
  689atm(d102,d102_30,o,40,-0.39).
  690
  691bond(d102,d102_1,d102_2,7).
  692bond(d102,d102_2,d102_3,7).
  693bond(d102,d102_3,d102_4,7).
  694bond(d102,d102_4,d102_5,7).
  695bond(d102,d102_5,d102_6,7).
  696bond(d102,d102_6,d102_1,7).
  697bond(d102,d102_2,d102_7,1).
  698bond(d102,d102_6,d102_8,1).
  699bond(d102,d102_9,d102_10,7).
  700bond(d102,d102_10,d102_11,7).
  701bond(d102,d102_11,d102_12,7).
  702bond(d102,d102_12,d102_13,7).
  703bond(d102,d102_13,d102_14,7).
  704bond(d102,d102_14,d102_9,7).
  705bond(d102,d102_10,d102_15,1).
  706bond(d102,d102_12,d102_16,1).
  707bond(d102,d102_4,d102_14,1).
  708bond(d102,d102_3,d102_17,1).
  709bond(d102,d102_17,d102_9,1).
  710bond(d102,d102_17,d102_18,2).
  711bond(d102,d102_11,d102_19,1).
  712bond(d102,d102_13,d102_20,1).
  713bond(d102,d102_5,d102_21,1).
  714bond(d102,d102_1,d102_22,1).
  715bond(d102,d102_22,d102_23,2).
  716bond(d102,d102_22,d102_24,2).
  717bond(d102,d102_21,d102_25,2).
  718bond(d102,d102_21,d102_26,2).
  719bond(d102,d102_20,d102_27,2).
  720bond(d102,d102_20,d102_28,2).
  721bond(d102,d102_19,d102_29,2).
  722bond(d102,d102_19,d102_30,2).
  723atm(d103,d103_1,c,22,-0.118).
  724atm(d103,d103_2,c,22,-0.118).
  725atm(d103,d103_3,c,27,0.012).
  726atm(d103,d103_4,c,27,-0.088).
  727atm(d103,d103_5,c,27,0.012).
  728atm(d103,d103_6,c,22,-0.118).
  729atm(d103,d103_7,h,3,0.141).
  730atm(d103,d103_8,h,3,0.142).
  731atm(d103,d103_9,h,3,0.142).
  732atm(d103,d103_10,c,22,-0.118).
  733atm(d103,d103_11,c,22,-0.118).
  734atm(d103,d103_12,c,27,0.012).
  735atm(d103,d103_13,c,27,-0.088).
  736atm(d103,d103_14,h,3,0.141).
  737atm(d103,d103_15,h,3,0.142).
  738atm(d103,d103_16,c,27,0.012).
  739atm(d103,d103_17,c,22,-0.118).
  740atm(d103,d103_18,c,22,-0.118).
  741atm(d103,d103_19,h,3,0.141).
  742atm(d103,d103_20,h,3,0.142).
  743atm(d103,d103_21,c,22,-0.118).
  744atm(d103,d103_22,c,22,-0.118).
  745atm(d103,d103_23,c,22,-0.118).
  746atm(d103,d103_24,h,3,0.142).
  747atm(d103,d103_25,h,3,0.142).
  748atm(d103,d103_26,n,38,0.811).
  749atm(d103,d103_27,o,40,-0.389).
  750atm(d103,d103_28,o,40,-0.389).
  751
  752bond(d103,d103_1,d103_2,7).
  753bond(d103,d103_2,d103_3,7).
  754bond(d103,d103_3,d103_4,7).
  755bond(d103,d103_4,d103_5,7).
  756bond(d103,d103_5,d103_6,7).
  757bond(d103,d103_6,d103_1,7).
  758bond(d103,d103_1,d103_7,1).
  759bond(d103,d103_2,d103_8,1).
  760bond(d103,d103_6,d103_9,1).
  761bond(d103,d103_3,d103_10,7).
  762bond(d103,d103_10,d103_11,7).
  763bond(d103,d103_11,d103_12,7).
  764bond(d103,d103_12,d103_13,7).
  765bond(d103,d103_13,d103_4,7).
  766bond(d103,d103_10,d103_14,1).
  767bond(d103,d103_11,d103_15,1).
  768bond(d103,d103_13,d103_16,7).
  769bond(d103,d103_16,d103_17,7).
  770bond(d103,d103_17,d103_18,7).
  771bond(d103,d103_18,d103_5,7).
  772bond(d103,d103_17,d103_19,1).
  773bond(d103,d103_18,d103_20,1).
  774bond(d103,d103_12,d103_21,7).
  775bond(d103,d103_21,d103_22,7).
  776bond(d103,d103_22,d103_23,7).
  777bond(d103,d103_23,d103_16,7).
  778bond(d103,d103_21,d103_24,1).
  779bond(d103,d103_23,d103_25,1).
  780bond(d103,d103_22,d103_26,1).
  781bond(d103,d103_26,d103_27,2).
  782bond(d103,d103_26,d103_28,2).
  783atm(d104,d104_1,c,22,-0.121).
  784atm(d104,d104_2,c,22,-0.121).
  785atm(d104,d104_3,c,27,0.009).
  786atm(d104,d104_4,c,27,-0.091).
  787atm(d104,d104_5,c,27,0.009).
  788atm(d104,d104_6,c,22,-0.122).
  789atm(d104,d104_7,c,22,-0.121).
  790atm(d104,d104_8,c,22,-0.121).
  791atm(d104,d104_9,c,27,0.009).
  792atm(d104,d104_10,c,27,-0.091).
  793atm(d104,d104_11,c,27,0.009).
  794atm(d104,d104_12,c,22,0.009).
  795atm(d104,d104_13,c,22,0.009).
  796atm(d104,d104_14,c,22,-0.121).
  797atm(d104,d104_15,c,22,-0.121).
  798atm(d104,d104_16,c,22,-0.122).
  799atm(d104,d104_17,c,10,-0.091).
  800atm(d104,d104_18,c,10,-0.091).
  801atm(d104,d104_19,c,10,-0.091).
  802atm(d104,d104_20,c,10,-0.091).
  803atm(d104,d104_21,n,38,0.808).
  804atm(d104,d104_22,o,40,-0.392).
  805atm(d104,d104_23,o,40,-0.392).
  806atm(d104,d104_24,h,3,0.138).
  807atm(d104,d104_25,h,3,0.138).
  808atm(d104,d104_26,h,3,0.138).
  809atm(d104,d104_27,h,3,0.138).
  810atm(d104,d104_28,h,3,0.138).
  811atm(d104,d104_29,h,3,0.138).
  812atm(d104,d104_30,h,3,0.138).
  813atm(d104,d104_31,h,3,0.059).
  814atm(d104,d104_32,h,3,0.059).
  815atm(d104,d104_33,h,3,0.059).
  816atm(d104,d104_34,h,3,0.059).
  817atm(d104,d104_35,h,3,0.059).
  818atm(d104,d104_36,h,3,0.059).
  819atm(d104,d104_37,h,3,0.059).
  820atm(d104,d104_38,h,3,0.059).
  821
  822bond(d104,d104_1,d104_2,7).
  823bond(d104,d104_2,d104_3,7).
  824bond(d104,d104_3,d104_4,7).
  825bond(d104,d104_4,d104_5,7).
  826bond(d104,d104_5,d104_6,7).
  827bond(d104,d104_6,d104_1,7).
  828bond(d104,d104_3,d104_7,7).
  829bond(d104,d104_7,d104_8,7).
  830bond(d104,d104_8,d104_9,7).
  831bond(d104,d104_9,d104_10,7).
  832bond(d104,d104_10,d104_4,7).
  833bond(d104,d104_10,d104_11,7).
  834bond(d104,d104_11,d104_12,7).
  835bond(d104,d104_12,d104_13,7).
  836bond(d104,d104_13,d104_5,7).
  837bond(d104,d104_9,d104_14,7).
  838bond(d104,d104_14,d104_15,7).
  839bond(d104,d104_15,d104_16,7).
  840bond(d104,d104_16,d104_11,7).
  841bond(d104,d104_12,d104_17,1).
  842bond(d104,d104_17,d104_18,1).
  843bond(d104,d104_18,d104_19,1).
  844bond(d104,d104_19,d104_20,1).
  845bond(d104,d104_20,d104_13,1).
  846bond(d104,d104_16,d104_21,1).
  847bond(d104,d104_21,d104_22,2).
  848bond(d104,d104_21,d104_23,2).
  849bond(d104,d104_1,d104_24,1).
  850bond(d104,d104_2,d104_25,1).
  851bond(d104,d104_6,d104_26,1).
  852bond(d104,d104_7,d104_27,1).
  853bond(d104,d104_8,d104_28,1).
  854bond(d104,d104_14,d104_29,1).
  855bond(d104,d104_15,d104_30,1).
  856bond(d104,d104_20,d104_31,1).
  857bond(d104,d104_20,d104_32,1).
  858bond(d104,d104_19,d104_33,1).
  859bond(d104,d104_19,d104_34,1).
  860bond(d104,d104_17,d104_35,1).
  861bond(d104,d104_17,d104_36,1).
  862bond(d104,d104_18,d104_37,1).
  863bond(d104,d104_18,d104_38,1).
  864atm(d105,d105_1,c,22,-0.084).
  865atm(d105,d105_2,c,22,-0.084).
  866atm(d105,d105_3,c,22,-0.084).
  867atm(d105,d105_4,c,27,-0.054).
  868atm(d105,d105_5,c,27,0.046).
  869atm(d105,d105_6,c,22,-0.084).
  870atm(d105,d105_7,h,3,0.176).
  871atm(d105,d105_8,h,3,0.176).
  872atm(d105,d105_9,h,3,0.176).
  873atm(d105,d105_10,c,27,-0.054).
  874atm(d105,d105_11,c,27,0.435).
  875atm(d105,d105_12,n,35,-0.725).
  876atm(d105,d105_13,c,22,-0.084).
  877atm(d105,d105_14,h,3,0.176).
  878atm(d105,d105_15,c,22,-0.084).
  879atm(d105,d105_16,c,22,-0.084).
  880atm(d105,d105_17,c,22,0.296).
  881atm(d105,d105_18,n,35,-0.725).
  882atm(d105,d105_19,h,3,0.176).
  883atm(d105,d105_20,h,3,0.176).
  884atm(d105,d105_21,h,3,0.176).
  885atm(d105,d105_22,n,38,0.845).
  886atm(d105,d105_23,o,40,-0.354).
  887atm(d105,d105_24,o,40,-0.354).
  888
  889bond(d105,d105_1,d105_2,7).
  890bond(d105,d105_2,d105_3,7).
  891bond(d105,d105_3,d105_4,7).
  892bond(d105,d105_4,d105_5,7).
  893bond(d105,d105_5,d105_6,7).
  894bond(d105,d105_6,d105_1,7).
  895bond(d105,d105_1,d105_7,1).
  896bond(d105,d105_2,d105_8,1).
  897bond(d105,d105_6,d105_9,1).
  898bond(d105,d105_4,d105_10,7).
  899bond(d105,d105_10,d105_11,7).
  900bond(d105,d105_11,d105_12,7).
  901bond(d105,d105_12,d105_13,7).
  902bond(d105,d105_13,d105_5,7).
  903bond(d105,d105_13,d105_14,1).
  904bond(d105,d105_10,d105_15,7).
  905bond(d105,d105_15,d105_16,7).
  906bond(d105,d105_16,d105_17,7).
  907bond(d105,d105_17,d105_18,7).
  908bond(d105,d105_18,d105_11,7).
  909bond(d105,d105_15,d105_19,1).
  910bond(d105,d105_16,d105_20,1).
  911bond(d105,d105_17,d105_21,1).
  912bond(d105,d105_3,d105_22,1).
  913bond(d105,d105_22,d105_23,2).
  914bond(d105,d105_22,d105_24,2).
  915atm(d106,d106_1,c,22,-0.119).
  916atm(d106,d106_2,c,22,-0.119).
  917atm(d106,d106_3,c,27,0.011).
  918atm(d106,d106_4,c,27,-0.089).
  919atm(d106,d106_5,c,27,0.011).
  920atm(d106,d106_6,c,22,-0.119).
  921atm(d106,d106_7,h,3,0.141).
  922atm(d106,d106_8,h,3,0.142).
  923atm(d106,d106_9,h,3,0.142).
  924atm(d106,d106_10,c,22,-0.119).
  925atm(d106,d106_11,c,22,-0.119).
  926atm(d106,d106_12,c,27,0.011).
  927atm(d106,d106_13,c,27,-0.089).
  928atm(d106,d106_14,h,3,0.141).
  929atm(d106,d106_15,h,3,0.142).
  930atm(d106,d106_16,c,27,0.011).
  931atm(d106,d106_17,c,22,0.262).
  932atm(d106,d106_18,c,22,-0.119).
  933atm(d106,d106_19,h,3,0.141).
  934atm(d106,d106_20,c,22,-0.119).
  935atm(d106,d106_21,c,22,-0.119).
  936atm(d106,d106_22,c,22,-0.119).
  937atm(d106,d106_23,h,3,0.142).
  938atm(d106,d106_24,h,3,0.142).
  939atm(d106,d106_25,n,38,0.812).
  940atm(d106,d106_26,o,45,-0.638).
  941atm(d106,d106_27,o,40,-0.388).
  942atm(d106,d106_28,o,40,-0.388).
  943atm(d106,d106_29,h,8,0.412).
  944
  945bond(d106,d106_1,d106_2,7).
  946bond(d106,d106_2,d106_3,7).
  947bond(d106,d106_3,d106_4,7).
  948bond(d106,d106_4,d106_5,7).
  949bond(d106,d106_5,d106_6,7).
  950bond(d106,d106_6,d106_1,7).
  951bond(d106,d106_1,d106_7,1).
  952bond(d106,d106_2,d106_8,1).
  953bond(d106,d106_6,d106_9,1).
  954bond(d106,d106_3,d106_10,7).
  955bond(d106,d106_10,d106_11,7).
  956bond(d106,d106_11,d106_12,7).
  957bond(d106,d106_12,d106_13,7).
  958bond(d106,d106_13,d106_4,7).
  959bond(d106,d106_10,d106_14,1).
  960bond(d106,d106_11,d106_15,1).
  961bond(d106,d106_13,d106_16,7).
  962bond(d106,d106_16,d106_17,7).
  963bond(d106,d106_17,d106_18,7).
  964bond(d106,d106_18,d106_5,7).
  965bond(d106,d106_18,d106_19,1).
  966bond(d106,d106_12,d106_20,7).
  967bond(d106,d106_20,d106_21,7).
  968bond(d106,d106_21,d106_22,7).
  969bond(d106,d106_22,d106_16,7).
  970bond(d106,d106_20,d106_23,1).
  971bond(d106,d106_21,d106_24,1).
  972bond(d106,d106_22,d106_25,1).
  973bond(d106,d106_17,d106_26,1).
  974bond(d106,d106_25,d106_27,2).
  975bond(d106,d106_25,d106_28,2).
  976bond(d106,d106_26,d106_29,1).
  977atm(d107,d107_1,c,22,-0.115).
  978atm(d107,d107_2,c,22,-0.115).
  979atm(d107,d107_3,c,27,0.015).
  980atm(d107,d107_4,c,27,-0.085).
  981atm(d107,d107_5,c,28,0.015).
  982atm(d107,d107_6,c,22,-0.115).
  983atm(d107,d107_7,h,3,0.145).
  984atm(d107,d107_8,h,3,0.145).
  985atm(d107,d107_9,c,22,-0.115).
  986atm(d107,d107_10,c,22,-0.115).
  987atm(d107,d107_11,c,22,-0.115).
  988atm(d107,d107_12,c,29,0.015).
  989atm(d107,d107_13,h,3,0.145).
  990atm(d107,d107_14,c,28,0.015).
  991atm(d107,d107_15,c,28,0.015).
  992atm(d107,d107_16,c,22,-0.115).
  993atm(d107,d107_17,c,22,-0.115).
  994atm(d107,d107_18,c,22,-0.115).
  995atm(d107,d107_19,c,22,-0.115).
  996atm(d107,d107_20,h,3,0.146).
  997atm(d107,d107_21,h,3,0.145).
  998atm(d107,d107_22,h,3,0.145).
  999atm(d107,d107_23,h,3,0.145).
 1000atm(d107,d107_24,n,38,0.816).
 1001atm(d107,d107_25,n,38,0.816).
 1002atm(d107,d107_26,n,38,0.816).
 1003atm(d107,d107_27,o,40,-0.384).
 1004atm(d107,d107_28,o,40,-0.384).
 1005atm(d107,d107_29,o,40,-0.384).
 1006atm(d107,d107_30,o,40,-0.384).
 1007atm(d107,d107_31,o,40,-0.384).
 1008atm(d107,d107_32,o,40,-0.384).
 1009
 1010bond(d107,d107_1,d107_2,7).
 1011bond(d107,d107_2,d107_3,7).
 1012bond(d107,d107_3,d107_4,7).
 1013bond(d107,d107_4,d107_5,7).
 1014bond(d107,d107_5,d107_6,7).
 1015bond(d107,d107_6,d107_1,7).
 1016bond(d107,d107_2,d107_7,1).
 1017bond(d107,d107_6,d107_8,1).
 1018bond(d107,d107_3,d107_9,7).
 1019bond(d107,d107_9,d107_10,7).
 1020bond(d107,d107_10,d107_11,7).
 1021bond(d107,d107_11,d107_12,7).
 1022bond(d107,d107_12,d107_4,7).
 1023bond(d107,d107_11,d107_13,1).
 1024bond(d107,d107_14,d107_15,7).
 1025bond(d107,d107_15,d107_16,7).
 1026bond(d107,d107_16,d107_17,7).
 1027bond(d107,d107_17,d107_18,7).
 1028bond(d107,d107_18,d107_19,7).
 1029bond(d107,d107_19,d107_14,7).
 1030bond(d107,d107_16,d107_20,1).
 1031bond(d107,d107_17,d107_21,1).
 1032bond(d107,d107_18,d107_22,1).
 1033bond(d107,d107_19,d107_23,1).
 1034bond(d107,d107_14,d107_5,1).
 1035bond(d107,d107_15,d107_12,1).
 1036bond(d107,d107_10,d107_24,1).
 1037bond(d107,d107_9,d107_25,1).
 1038bond(d107,d107_1,d107_26,1).
 1039bond(d107,d107_26,d107_27,2).
 1040bond(d107,d107_26,d107_28,2).
 1041bond(d107,d107_25,d107_29,2).
 1042bond(d107,d107_25,d107_30,2).
 1043bond(d107,d107_24,d107_31,2).
 1044bond(d107,d107_24,d107_32,2).
 1045atm(d108,d108_1,c,22,-0.122).
 1046atm(d108,d108_2,c,22,-0.122).
 1047atm(d108,d108_3,c,27,0.008).
 1048atm(d108,d108_4,c,27,-0.092).
 1049atm(d108,d108_5,c,28,0.008).
 1050atm(d108,d108_6,c,22,-0.122).
 1051atm(d108,d108_7,h,3,0.139).
 1052atm(d108,d108_8,h,3,0.139).
 1053atm(d108,d108_9,c,22,-0.122).
 1054atm(d108,d108_10,c,22,-0.122).
 1055atm(d108,d108_11,c,22,-0.122).
 1056atm(d108,d108_12,c,29,0.008).
 1057atm(d108,d108_13,h,3,0.138).
 1058atm(d108,d108_14,c,28,0.008).
 1059atm(d108,d108_15,c,28,0.008).
 1060atm(d108,d108_16,c,22,-0.122).
 1061atm(d108,d108_17,c,22,-0.122).
 1062atm(d108,d108_18,c,22,-0.122).
 1063atm(d108,d108_19,c,22,-0.122).
 1064atm(d108,d108_20,h,3,0.138).
 1065atm(d108,d108_21,h,3,0.138).
 1066atm(d108,d108_22,h,3,0.138).
 1067atm(d108,d108_23,h,3,0.138).
 1068atm(d108,d108_24,n,38,0.809).
 1069atm(d108,d108_25,o,40,-0.391).
 1070atm(d108,d108_26,o,40,-0.391).
 1071atm(d108,d108_27,h,3,0.138).
 1072atm(d108,d108_28,h,3,0.139).
 1073
 1074bond(d108,d108_1,d108_2,7).
 1075bond(d108,d108_2,d108_3,7).
 1076bond(d108,d108_3,d108_4,7).
 1077bond(d108,d108_4,d108_5,7).
 1078bond(d108,d108_5,d108_6,7).
 1079bond(d108,d108_6,d108_1,7).
 1080bond(d108,d108_2,d108_7,1).
 1081bond(d108,d108_6,d108_8,1).
 1082bond(d108,d108_3,d108_9,7).
 1083bond(d108,d108_9,d108_10,7).
 1084bond(d108,d108_10,d108_11,7).
 1085bond(d108,d108_11,d108_12,7).
 1086bond(d108,d108_12,d108_4,7).
 1087bond(d108,d108_11,d108_13,1).
 1088bond(d108,d108_14,d108_15,7).
 1089bond(d108,d108_15,d108_16,7).
 1090bond(d108,d108_16,d108_17,7).
 1091bond(d108,d108_17,d108_18,7).
 1092bond(d108,d108_18,d108_19,7).
 1093bond(d108,d108_19,d108_14,7).
 1094bond(d108,d108_16,d108_20,1).
 1095bond(d108,d108_17,d108_21,1).
 1096bond(d108,d108_18,d108_22,1).
 1097bond(d108,d108_19,d108_23,1).
 1098bond(d108,d108_14,d108_5,1).
 1099bond(d108,d108_15,d108_12,1).
 1100bond(d108,d108_9,d108_24,1).
 1101bond(d108,d108_24,d108_25,2).
 1102bond(d108,d108_24,d108_26,2).
 1103bond(d108,d108_1,d108_27,1).
 1104bond(d108,d108_10,d108_28,1).
 1105atm(d109,d109_1,c,22,-0.113).
 1106atm(d109,d109_2,c,22,-0.113).
 1107atm(d109,d109_3,c,22,-0.113).
 1108atm(d109,d109_4,c,29,0.017).
 1109atm(d109,d109_5,c,27,-0.083).
 1110atm(d109,d109_6,c,27,0.017).
 1111atm(d109,d109_7,c,29,0.017).
 1112atm(d109,d109_8,c,27,-0.083).
 1113atm(d109,d109_9,c,27,-0.083).
 1114atm(d109,d109_10,c,27,-0.083).
 1115atm(d109,d109_11,c,27,0.017).
 1116atm(d109,d109_12,c,22,-0.113).
 1117atm(d109,d109_13,c,22,-0.113).
 1118atm(d109,d109_14,c,27,0.017).
 1119atm(d109,d109_15,c,27,0.017).
 1120atm(d109,d109_16,c,22,-0.113).
 1121atm(d109,d109_17,c,22,-0.113).
 1122atm(d109,d109_18,c,22,-0.113).
 1123atm(d109,d109_19,c,22,-0.113).
 1124atm(d109,d109_20,c,22,-0.113).
 1125atm(d109,d109_21,c,22,-0.113).
 1126atm(d109,d109_22,c,22,-0.113).
 1127atm(d109,d109_23,n,38,0.818).
 1128atm(d109,d109_24,n,38,0.818).
 1129atm(d109,d109_25,o,40,-0.382).
 1130atm(d109,d109_26,o,40,-0.382).
 1131atm(d109,d109_27,o,40,-0.382).
 1132atm(d109,d109_28,o,40,-0.382).
 1133atm(d109,d109_29,h,3,0.148).
 1134atm(d109,d109_30,h,3,0.148).
 1135atm(d109,d109_31,h,3,0.148).
 1136atm(d109,d109_32,h,3,0.147).
 1137atm(d109,d109_33,h,3,0.147).
 1138atm(d109,d109_34,h,3,0.148).
 1139atm(d109,d109_35,h,3,0.148).
 1140atm(d109,d109_36,h,3,0.148).
 1141atm(d109,d109_37,h,3,0.148).
 1142atm(d109,d109_38,h,3,0.148).
 1143
 1144bond(d109,d109_1,d109_2,7).
 1145bond(d109,d109_2,d109_3,7).
 1146bond(d109,d109_3,d109_4,7).
 1147bond(d109,d109_4,d109_5,7).
 1148bond(d109,d109_5,d109_6,7).
 1149bond(d109,d109_6,d109_1,7).
 1150bond(d109,d109_4,d109_7,1).
 1151bond(d109,d109_7,d109_8,7).
 1152bond(d109,d109_8,d109_9,7).
 1153bond(d109,d109_9,d109_10,7).
 1154bond(d109,d109_10,d109_5,7).
 1155bond(d109,d109_8,d109_11,7).
 1156bond(d109,d109_11,d109_12,7).
 1157bond(d109,d109_12,d109_13,7).
 1158bond(d109,d109_13,d109_14,7).
 1159bond(d109,d109_14,d109_9,7).
 1160bond(d109,d109_10,d109_15,7).
 1161bond(d109,d109_15,d109_16,7).
 1162bond(d109,d109_16,d109_17,7).
 1163bond(d109,d109_17,d109_6,7).
 1164bond(d109,d109_14,d109_18,7).
 1165bond(d109,d109_18,d109_19,7).
 1166bond(d109,d109_19,d109_15,7).
 1167bond(d109,d109_7,d109_20,7).
 1168bond(d109,d109_20,d109_21,7).
 1169bond(d109,d109_21,d109_22,7).
 1170bond(d109,d109_22,d109_11,7).
 1171bond(d109,d109_22,d109_23,1).
 1172bond(d109,d109_1,d109_24,1).
 1173bond(d109,d109_23,d109_25,2).
 1174bond(d109,d109_23,d109_26,2).
 1175bond(d109,d109_24,d109_27,2).
 1176bond(d109,d109_24,d109_28,2).
 1177bond(d109,d109_2,d109_29,1).
 1178bond(d109,d109_3,d109_30,1).
 1179bond(d109,d109_12,d109_31,1).
 1180bond(d109,d109_13,d109_32,1).
 1181bond(d109,d109_16,d109_33,1).
 1182bond(d109,d109_17,d109_34,1).
 1183bond(d109,d109_18,d109_35,1).
 1184bond(d109,d109_19,d109_36,1).
 1185bond(d109,d109_20,d109_37,1).
 1186bond(d109,d109_21,d109_38,1).
 1187atm(d11,d11_1,c,22,-0.117).
 1188atm(d11,d11_2,c,22,-0.117).
 1189atm(d11,d11_3,c,22,-0.117).
 1190atm(d11,d11_4,c,195,-0.087).
 1191atm(d11,d11_5,c,195,0.013).
 1192atm(d11,d11_6,c,22,-0.117).
 1193atm(d11,d11_7,h,3,0.142).
 1194atm(d11,d11_8,h,3,0.143).
 1195atm(d11,d11_9,h,3,0.142).
 1196atm(d11,d11_10,h,3,0.142).
 1197atm(d11,d11_11,c,27,-0.087).
 1198atm(d11,d11_12,c,27,0.013).
 1199atm(d11,d11_13,c,22,-0.117).
 1200atm(d11,d11_14,c,22,-0.117).
 1201atm(d11,d11_15,h,3,0.143).
 1202atm(d11,d11_16,c,22,-0.117).
 1203atm(d11,d11_17,c,22,-0.117).
 1204atm(d11,d11_18,c,22,-0.117).
 1205atm(d11,d11_19,c,22,-0.117).
 1206atm(d11,d11_20,h,3,0.143).
 1207atm(d11,d11_21,h,3,0.142).
 1208atm(d11,d11_22,h,3,0.143).
 1209atm(d11,d11_23,h,3,0.142).
 1210atm(d11,d11_24,n,38,0.812).
 1211atm(d11,d11_25,o,40,-0.388).
 1212atm(d11,d11_26,o,40,-0.388).
 1213
 1214bond(d11,d11_1,d11_2,7).
 1215bond(d11,d11_2,d11_3,7).
 1216bond(d11,d11_3,d11_4,7).
 1217bond(d11,d11_4,d11_5,7).
 1218bond(d11,d11_5,d11_6,7).
 1219bond(d11,d11_6,d11_1,7).
 1220bond(d11,d11_1,d11_7,1).
 1221bond(d11,d11_2,d11_8,1).
 1222bond(d11,d11_3,d11_9,1).
 1223bond(d11,d11_6,d11_10,1).
 1224bond(d11,d11_4,d11_11,7).
 1225bond(d11,d11_11,d11_12,7).
 1226bond(d11,d11_12,d11_13,7).
 1227bond(d11,d11_13,d11_14,7).
 1228bond(d11,d11_14,d11_5,7).
 1229bond(d11,d11_13,d11_15,1).
 1230bond(d11,d11_11,d11_16,7).
 1231bond(d11,d11_16,d11_17,7).
 1232bond(d11,d11_17,d11_18,7).
 1233bond(d11,d11_18,d11_19,7).
 1234bond(d11,d11_19,d11_12,7).
 1235bond(d11,d11_16,d11_20,1).
 1236bond(d11,d11_17,d11_21,1).
 1237bond(d11,d11_19,d11_22,1).
 1238bond(d11,d11_18,d11_23,1).
 1239bond(d11,d11_24,d11_14,1).
 1240bond(d11,d11_25,d11_24,2).
 1241bond(d11,d11_26,d11_24,2).
 1242atm(d110,d110_1,c,22,-0.113).
 1243atm(d110,d110_2,c,22,-0.113).
 1244atm(d110,d110_3,c,22,-0.113).
 1245atm(d110,d110_4,c,29,0.017).
 1246atm(d110,d110_5,c,22,-0.113).
 1247atm(d110,d110_6,c,22,-0.113).
 1248atm(d110,d110_7,h,3,0.147).
 1249atm(d110,d110_8,h,3,0.147).
 1250atm(d110,d110_9,h,3,0.147).
 1251atm(d110,d110_10,c,29,0.017).
 1252atm(d110,d110_11,c,22,-0.113).
 1253atm(d110,d110_12,c,22,-0.113).
 1254atm(d110,d110_13,c,22,-0.113).
 1255atm(d110,d110_14,c,22,-0.113).
 1256atm(d110,d110_15,c,22,-0.113).
 1257atm(d110,d110_16,h,3,0.147).
 1258atm(d110,d110_17,h,3,0.147).
 1259atm(d110,d110_18,h,3,0.147).
 1260atm(d110,d110_19,n,38,0.818).
 1261atm(d110,d110_20,n,38,0.818).
 1262atm(d110,d110_21,n,38,0.818).
 1263atm(d110,d110_22,n,38,0.818).
 1264atm(d110,d110_23,o,40,-0.382).
 1265atm(d110,d110_24,o,40,-0.382).
 1266atm(d110,d110_25,o,40,-0.382).
 1267atm(d110,d110_26,o,40,-0.383).
 1268atm(d110,d110_27,o,40,-0.383).
 1269atm(d110,d110_28,o,40,-0.382).
 1270atm(d110,d110_29,o,40,-0.382).
 1271atm(d110,d110_30,o,40,-0.382).
 1272
 1273bond(d110,d110_1,d110_2,7).
 1274bond(d110,d110_2,d110_3,7).
 1275bond(d110,d110_3,d110_4,7).
 1276bond(d110,d110_4,d110_5,7).
 1277bond(d110,d110_5,d110_6,7).
 1278bond(d110,d110_6,d110_1,7).
 1279bond(d110,d110_1,d110_7,1).
 1280bond(d110,d110_2,d110_8,1).
 1281bond(d110,d110_6,d110_9,1).
 1282bond(d110,d110_10,d110_11,7).
 1283bond(d110,d110_11,d110_12,7).
 1284bond(d110,d110_12,d110_13,7).
 1285bond(d110,d110_13,d110_14,7).
 1286bond(d110,d110_14,d110_15,7).
 1287bond(d110,d110_15,d110_10,7).
 1288bond(d110,d110_11,d110_16,1).
 1289bond(d110,d110_12,d110_17,1).
 1290bond(d110,d110_14,d110_18,1).
 1291bond(d110,d110_4,d110_10,1).
 1292bond(d110,d110_15,d110_19,1).
 1293bond(d110,d110_13,d110_20,1).
 1294bond(d110,d110_5,d110_21,1).
 1295bond(d110,d110_3,d110_22,1).
 1296bond(d110,d110_21,d110_23,2).
 1297bond(d110,d110_21,d110_24,2).
 1298bond(d110,d110_19,d110_25,2).
 1299bond(d110,d110_19,d110_26,2).
 1300bond(d110,d110_20,d110_27,2).
 1301bond(d110,d110_20,d110_28,2).
 1302bond(d110,d110_22,d110_29,2).
 1303bond(d110,d110_22,d110_30,2).
 1304atm(d111,d111_1,c,22,-0.122).
 1305atm(d111,d111_2,c,22,-0.122).
 1306atm(d111,d111_3,c,22,-0.122).
 1307atm(d111,d111_4,c,22,-0.122).
 1308atm(d111,d111_5,c,22,0.008).
 1309atm(d111,d111_6,c,22,-0.122).
 1310atm(d111,d111_7,h,3,0.138).
 1311atm(d111,d111_8,h,3,0.138).
 1312atm(d111,d111_9,h,3,0.138).
 1313atm(d111,d111_10,c,14,0.238).
 1314atm(d111,d111_11,o,41,-0.421).
 1315atm(d111,d111_12,h,3,0.208).
 1316atm(d111,d111_13,h,3,0.138).
 1317atm(d111,d111_14,n,38,0.809).
 1318atm(d111,d111_15,o,40,-0.392).
 1319atm(d111,d111_16,o,40,-0.392).
 1320
 1321bond(d111,d111_1,d111_2,7).
 1322bond(d111,d111_2,d111_3,7).
 1323bond(d111,d111_3,d111_4,7).
 1324bond(d111,d111_4,d111_5,7).
 1325bond(d111,d111_5,d111_6,7).
 1326bond(d111,d111_6,d111_1,7).
 1327bond(d111,d111_1,d111_7,1).
 1328bond(d111,d111_3,d111_8,1).
 1329bond(d111,d111_6,d111_9,1).
 1330bond(d111,d111_5,d111_10,1).
 1331bond(d111,d111_10,d111_11,2).
 1332bond(d111,d111_10,d111_12,1).
 1333bond(d111,d111_4,d111_13,1).
 1334bond(d111,d111_2,d111_14,1).
 1335bond(d111,d111_14,d111_15,2).
 1336bond(d111,d111_14,d111_16,2).
 1337atm(d112,d112_1,c,22,-0.125).
 1338atm(d112,d112_2,c,22,-0.125).
 1339atm(d112,d112_3,c,27,0.005).
 1340atm(d112,d112_4,c,27,0.005).
 1341atm(d112,d112_5,c,22,0.005).
 1342atm(d112,d112_6,c,22,-0.124).
 1343atm(d112,d112_7,h,3,0.136).
 1344atm(d112,d112_8,h,3,0.136).
 1345atm(d112,d112_9,h,3,0.136).
 1346atm(d112,d112_10,c,22,-0.125).
 1347atm(d112,d112_11,c,22,-0.124).
 1348atm(d112,d112_12,c,22,-0.125).
 1349atm(d112,d112_13,c,22,0.005).
 1350atm(d112,d112_14,h,3,0.136).
 1351atm(d112,d112_15,h,3,0.136).
 1352atm(d112,d112_16,c,10,-0.095).
 1353atm(d112,d112_17,c,10,-0.095).
 1354atm(d112,d112_18,h,3,0.055).
 1355atm(d112,d112_19,h,3,0.055).
 1356atm(d112,d112_20,h,3,0.055).
 1357atm(d112,d112_21,h,3,0.055).
 1358atm(d112,d112_22,n,38,0.806).
 1359atm(d112,d112_23,o,40,-0.394).
 1360atm(d112,d112_24,o,40,-0.394).
 1361
 1362bond(d112,d112_1,d112_2,7).
 1363bond(d112,d112_2,d112_3,7).
 1364bond(d112,d112_3,d112_4,7).
 1365bond(d112,d112_4,d112_5,7).
 1366bond(d112,d112_5,d112_6,7).
 1367bond(d112,d112_6,d112_1,7).
 1368bond(d112,d112_1,d112_7,1).
 1369bond(d112,d112_2,d112_8,1).
 1370bond(d112,d112_6,d112_9,1).
 1371bond(d112,d112_3,d112_10,7).
 1372bond(d112,d112_10,d112_11,7).
 1373bond(d112,d112_11,d112_12,7).
 1374bond(d112,d112_12,d112_13,7).
 1375bond(d112,d112_13,d112_4,7).
 1376bond(d112,d112_10,d112_14,1).
 1377bond(d112,d112_11,d112_15,1).
 1378bond(d112,d112_5,d112_16,1).
 1379bond(d112,d112_16,d112_17,1).
 1380bond(d112,d112_16,d112_18,1).
 1381bond(d112,d112_16,d112_19,1).
 1382bond(d112,d112_17,d112_13,1).
 1383bond(d112,d112_17,d112_20,1).
 1384bond(d112,d112_17,d112_21,1).
 1385bond(d112,d112_12,d112_22,1).
 1386bond(d112,d112_22,d112_23,2).
 1387bond(d112,d112_22,d112_24,2).
 1388atm(d113,d113_1,c,22,-0.12).
 1389atm(d113,d113_2,c,22,-0.12).
 1390atm(d113,d113_3,c,22,-0.12).
 1391atm(d113,d113_4,c,22,-0.12).
 1392atm(d113,d113_5,c,22,0.21).
 1393atm(d113,d113_6,c,22,-0.12).
 1394atm(d113,d113_7,h,3,0.14).
 1395atm(d113,d113_8,h,3,0.14).
 1396atm(d113,d113_9,h,3,0.14).
 1397atm(d113,d113_10,n,32,-0.77).
 1398atm(d113,d113_11,n,38,0.81).
 1399atm(d113,d113_12,n,38,0.81).
 1400atm(d113,d113_13,o,40,-0.39).
 1401atm(d113,d113_14,o,40,-0.39).
 1402atm(d113,d113_15,o,40,-0.39).
 1403atm(d113,d113_16,o,40,-0.39).
 1404atm(d113,d113_17,h,1,0.34).
 1405atm(d113,d113_18,h,1,0.34).
 1406
 1407bond(d113,d113_1,d113_2,7).
 1408bond(d113,d113_2,d113_3,7).
 1409bond(d113,d113_3,d113_4,7).
 1410bond(d113,d113_4,d113_5,7).
 1411bond(d113,d113_5,d113_6,7).
 1412bond(d113,d113_6,d113_1,7).
 1413bond(d113,d113_1,d113_7,1).
 1414bond(d113,d113_3,d113_8,1).
 1415bond(d113,d113_6,d113_9,1).
 1416bond(d113,d113_5,d113_10,1).
 1417bond(d113,d113_4,d113_11,1).
 1418bond(d113,d113_2,d113_12,1).
 1419bond(d113,d113_11,d113_13,2).
 1420bond(d113,d113_11,d113_14,2).
 1421bond(d113,d113_12,d113_15,2).
 1422bond(d113,d113_12,d113_16,2).
 1423bond(d113,d113_10,d113_17,1).
 1424bond(d113,d113_10,d113_18,1).
 1425atm(d114,d114_1,c,22,-0.128).
 1426atm(d114,d114_2,c,22,-0.128).
 1427atm(d114,d114_3,c,22,-0.128).
 1428atm(d114,d114_4,c,29,0.002).
 1429atm(d114,d114_5,c,22,-0.128).
 1430atm(d114,d114_6,c,22,-0.128).
 1431atm(d114,d114_7,h,3,0.132).
 1432atm(d114,d114_8,h,3,0.132).
 1433atm(d114,d114_9,h,3,0.132).
 1434atm(d114,d114_10,h,3,0.132).
 1435atm(d114,d114_11,c,29,0.002).
 1436atm(d114,d114_12,c,22,-0.128).
 1437atm(d114,d114_13,c,22,-0.128).
 1438atm(d114,d114_14,c,22,-0.128).
 1439atm(d114,d114_15,c,22,-0.128).
 1440atm(d114,d114_16,c,22,0.202).
 1441atm(d114,d114_17,h,3,0.132).
 1442atm(d114,d114_18,h,3,0.132).
 1443atm(d114,d114_19,h,3,0.132).
 1444atm(d114,d114_20,h,3,0.132).
 1445atm(d114,d114_21,n,32,-0.779).
 1446atm(d114,d114_22,n,38,0.801).
 1447atm(d114,d114_23,o,40,-0.398).
 1448atm(d114,d114_24,o,40,-0.398).
 1449atm(d114,d114_25,h,1,0.332).
 1450atm(d114,d114_26,h,1,0.332).
 1451
 1452bond(d114,d114_1,d114_2,7).
 1453bond(d114,d114_2,d114_3,7).
 1454bond(d114,d114_3,d114_4,7).
 1455bond(d114,d114_4,d114_5,7).
 1456bond(d114,d114_5,d114_6,7).
 1457bond(d114,d114_6,d114_1,7).
 1458bond(d114,d114_2,d114_7,1).
 1459bond(d114,d114_3,d114_8,1).
 1460bond(d114,d114_5,d114_9,1).
 1461bond(d114,d114_6,d114_10,1).
 1462bond(d114,d114_11,d114_12,7).
 1463bond(d114,d114_12,d114_13,7).
 1464bond(d114,d114_13,d114_14,7).
 1465bond(d114,d114_14,d114_15,7).
 1466bond(d114,d114_15,d114_16,7).
 1467bond(d114,d114_16,d114_11,7).
 1468bond(d114,d114_12,d114_17,1).
 1469bond(d114,d114_13,d114_18,1).
 1470bond(d114,d114_14,d114_19,1).
 1471bond(d114,d114_15,d114_20,1).
 1472bond(d114,d114_4,d114_11,1).
 1473bond(d114,d114_16,d114_21,1).
 1474bond(d114,d114_1,d114_22,1).
 1475bond(d114,d114_22,d114_23,2).
 1476bond(d114,d114_22,d114_24,2).
 1477bond(d114,d114_21,d114_25,1).
 1478bond(d114,d114_21,d114_26,1).
 1479atm(d115,d115_1,c,22,-0.122).
 1480atm(d115,d115_2,c,22,-0.122).
 1481atm(d115,d115_3,c,22,-0.122).
 1482atm(d115,d115_4,c,22,0.108).
 1483atm(d115,d115_5,c,22,-0.122).
 1484atm(d115,d115_6,c,22,-0.122).
 1485atm(d115,d115_7,h,3,0.139).
 1486atm(d115,d115_8,h,3,0.139).
 1487atm(d115,d115_9,h,3,0.139).
 1488atm(d115,d115_10,c,10,0.108).
 1489atm(d115,d115_11,c,16,-0.191).
 1490atm(d115,d115_12,h,3,0.058).
 1491atm(d115,d115_13,h,3,0.058).
 1492atm(d115,d115_14,c,16,-0.191).
 1493atm(d115,d115_15,h,3,0.108).
 1494atm(d115,d115_16,h,3,0.108).
 1495atm(d115,d115_17,n,38,0.809).
 1496atm(d115,d115_18,o,40,-0.391).
 1497atm(d115,d115_19,o,40,-0.391).
 1498
 1499bond(d115,d115_1,d115_2,7).
 1500bond(d115,d115_2,d115_3,7).
 1501bond(d115,d115_3,d115_4,7).
 1502bond(d115,d115_4,d115_5,7).
 1503bond(d115,d115_5,d115_6,7).
 1504bond(d115,d115_6,d115_1,7).
 1505bond(d115,d115_1,d115_7,1).
 1506bond(d115,d115_2,d115_8,1).
 1507bond(d115,d115_5,d115_9,1).
 1508bond(d115,d115_3,d115_10,1).
 1509bond(d115,d115_10,d115_11,1).
 1510bond(d115,d115_10,d115_12,1).
 1511bond(d115,d115_10,d115_13,1).
 1512bond(d115,d115_4,d115_14,1).
 1513bond(d115,d115_14,d115_11,2).
 1514bond(d115,d115_14,d115_15,1).
 1515bond(d115,d115_11,d115_16,1).
 1516bond(d115,d115_6,d115_17,1).
 1517bond(d115,d115_17,d115_18,2).
 1518bond(d115,d115_17,d115_19,2).
 1519atm(d116,d116_1,c,22,-0.121).
 1520atm(d116,d116_2,c,22,0.31).
 1521atm(d116,d116_3,c,22,-0.121).
 1522atm(d116,d116_4,c,22,-0.121).
 1523atm(d116,d116_5,c,22,-0.121).
 1524atm(d116,d116_6,c,22,-0.121).
 1525atm(d116,d116_7,h,3,0.139).
 1526atm(d116,d116_8,h,3,0.139).
 1527atm(d116,d116_9,h,3,0.139).
 1528atm(d116,d116_10,h,3,0.139).
 1529atm(d116,d116_11,n,38,0.81).
 1530atm(d116,d116_12,f,92,-0.291).
 1531atm(d116,d116_13,o,40,-0.39).
 1532atm(d116,d116_14,o,40,-0.39).
 1533
 1534bond(d116,d116_1,d116_2,7).
 1535bond(d116,d116_2,d116_3,7).
 1536bond(d116,d116_3,d116_4,7).
 1537bond(d116,d116_4,d116_5,7).
 1538bond(d116,d116_5,d116_6,7).
 1539bond(d116,d116_6,d116_1,7).
 1540bond(d116,d116_1,d116_7,1).
 1541bond(d116,d116_3,d116_8,1).
 1542bond(d116,d116_4,d116_9,1).
 1543bond(d116,d116_6,d116_10,1).
 1544bond(d116,d116_5,d116_11,1).
 1545bond(d116,d116_2,d116_12,1).
 1546bond(d116,d116_11,d116_13,2).
 1547bond(d116,d116_11,d116_14,2).
 1548atm(d117,d117_1,c,22,-0.116).
 1549atm(d117,d117_2,c,22,-0.116).
 1550atm(d117,d117_3,c,22,-0.116).
 1551atm(d117,d117_4,c,29,0.014).
 1552atm(d117,d117_5,c,22,-0.116).
 1553atm(d117,d117_6,c,22,-0.116).
 1554atm(d117,d117_7,h,3,0.144).
 1555atm(d117,d117_8,h,3,0.144).
 1556atm(d117,d117_9,h,3,0.144).
 1557atm(d117,d117_10,h,3,0.144).
 1558atm(d117,d117_11,c,29,0.014).
 1559atm(d117,d117_12,c,22,-0.116).
 1560atm(d117,d117_13,c,22,-0.116).
 1561atm(d117,d117_14,c,22,-0.116).
 1562atm(d117,d117_15,c,22,-0.116).
 1563atm(d117,d117_16,c,22,-0.116).
 1564atm(d117,d117_17,h,3,0.144).
 1565atm(d117,d117_18,h,3,0.144).
 1566atm(d117,d117_19,h,3,0.144).
 1567atm(d117,d117_20,n,38,0.813).
 1568atm(d117,d117_21,n,38,0.813).
 1569atm(d117,d117_22,n,38,0.814).
 1570atm(d117,d117_23,o,40,-0.386).
 1571atm(d117,d117_24,o,40,-0.386).
 1572atm(d117,d117_25,o,40,-0.386).
 1573atm(d117,d117_26,o,40,-0.386).
 1574atm(d117,d117_27,o,40,-0.386).
 1575atm(d117,d117_28,o,40,-0.386).
 1576
 1577bond(d117,d117_1,d117_2,7).
 1578bond(d117,d117_2,d117_3,7).
 1579bond(d117,d117_3,d117_4,7).
 1580bond(d117,d117_4,d117_5,7).
 1581bond(d117,d117_5,d117_6,7).
 1582bond(d117,d117_6,d117_1,7).
 1583bond(d117,d117_1,d117_7,1).
 1584bond(d117,d117_2,d117_8,1).
 1585bond(d117,d117_3,d117_9,1).
 1586bond(d117,d117_5,d117_10,1).
 1587bond(d117,d117_11,d117_12,7).
 1588bond(d117,d117_12,d117_13,7).
 1589bond(d117,d117_13,d117_14,7).
 1590bond(d117,d117_14,d117_15,7).
 1591bond(d117,d117_15,d117_16,7).
 1592bond(d117,d117_16,d117_11,7).
 1593bond(d117,d117_12,d117_17,1).
 1594bond(d117,d117_13,d117_18,1).
 1595bond(d117,d117_15,d117_19,1).
 1596bond(d117,d117_4,d117_11,1).
 1597bond(d117,d117_16,d117_20,1).
 1598bond(d117,d117_14,d117_21,1).
 1599bond(d117,d117_6,d117_22,1).
 1600bond(d117,d117_22,d117_23,2).
 1601bond(d117,d117_22,d117_24,2).
 1602bond(d117,d117_20,d117_25,2).
 1603bond(d117,d117_20,d117_26,2).
 1604bond(d117,d117_21,d117_27,2).
 1605bond(d117,d117_21,d117_28,2).
 1606atm(d118,d118_1,c,10,-0.091).
 1607atm(d118,d118_2,c,10,-0.091).
 1608atm(d118,d118_3,c,22,0.009).
 1609atm(d118,d118_4,c,22,0.009).
 1610atm(d118,d118_5,c,10,-0.091).
 1611atm(d118,d118_6,c,10,-0.091).
 1612atm(d118,d118_7,c,22,-0.122).
 1613atm(d118,d118_8,c,27,0.009).
 1614atm(d118,d118_9,c,27,-0.091).
 1615atm(d118,d118_10,c,27,0.009).
 1616atm(d118,d118_11,c,22,-0.121).
 1617atm(d118,d118_12,c,22,-0.122).
 1618atm(d118,d118_13,c,27,0.009).
 1619atm(d118,d118_14,c,27,-0.091).
 1620atm(d118,d118_15,c,27,0.009).
 1621atm(d118,d118_16,c,22,-0.121).
 1622atm(d118,d118_17,c,22,-0.121).
 1623atm(d118,d118_18,c,22,-0.121).
 1624atm(d118,d118_19,c,22,-0.121).
 1625atm(d118,d118_20,c,22,-0.121).
 1626atm(d118,d118_21,n,38,0.808).
 1627atm(d118,d118_22,o,40,-0.392).
 1628atm(d118,d118_23,o,40,-0.392).
 1629atm(d118,d118_24,h,3,0.138).
 1630atm(d118,d118_25,h,3,0.138).
 1631atm(d118,d118_26,h,3,0.138).
 1632atm(d118,d118_27,h,3,0.138).
 1633atm(d118,d118_28,h,3,0.138).
 1634atm(d118,d118_29,h,3,0.138).
 1635atm(d118,d118_30,h,3,0.138).
 1636atm(d118,d118_31,h,3,0.059).
 1637atm(d118,d118_32,h,3,0.059).
 1638atm(d118,d118_33,h,3,0.059).
 1639atm(d118,d118_34,h,3,0.059).
 1640atm(d118,d118_35,h,3,0.059).
 1641atm(d118,d118_36,h,3,0.059).
 1642atm(d118,d118_37,h,3,0.059).
 1643atm(d118,d118_38,h,3,0.059).
 1644
 1645bond(d118,d118_1,d118_2,1).
 1646bond(d118,d118_2,d118_3,1).
 1647bond(d118,d118_3,d118_4,7).
 1648bond(d118,d118_4,d118_5,1).
 1649bond(d118,d118_5,d118_6,1).
 1650bond(d118,d118_6,d118_1,1).
 1651bond(d118,d118_3,d118_7,7).
 1652bond(d118,d118_7,d118_8,7).
 1653bond(d118,d118_8,d118_9,7).
 1654bond(d118,d118_9,d118_10,7).
 1655bond(d118,d118_10,d118_4,7).
 1656bond(d118,d118_8,d118_11,7).
 1657bond(d118,d118_11,d118_12,7).
 1658bond(d118,d118_12,d118_13,7).
 1659bond(d118,d118_13,d118_14,7).
 1660bond(d118,d118_14,d118_9,7).
 1661bond(d118,d118_14,d118_15,7).
 1662bond(d118,d118_15,d118_16,7).
 1663bond(d118,d118_16,d118_17,7).
 1664bond(d118,d118_17,d118_10,7).
 1665bond(d118,d118_13,d118_18,7).
 1666bond(d118,d118_18,d118_19,7).
 1667bond(d118,d118_19,d118_20,7).
 1668bond(d118,d118_20,d118_15,7).
 1669bond(d118,d118_18,d118_21,1).
 1670bond(d118,d118_21,d118_22,2).
 1671bond(d118,d118_21,d118_23,2).
 1672bond(d118,d118_7,d118_24,1).
 1673bond(d118,d118_11,d118_25,1).
 1674bond(d118,d118_12,d118_26,1).
 1675bond(d118,d118_16,d118_27,1).
 1676bond(d118,d118_17,d118_28,1).
 1677bond(d118,d118_19,d118_29,1).
 1678bond(d118,d118_20,d118_30,1).
 1679bond(d118,d118_2,d118_31,1).
 1680bond(d118,d118_2,d118_32,1).
 1681bond(d118,d118_1,d118_33,1).
 1682bond(d118,d118_1,d118_34,1).
 1683bond(d118,d118_6,d118_35,1).
 1684bond(d118,d118_6,d118_36,1).
 1685bond(d118,d118_5,d118_37,1).
 1686bond(d118,d118_5,d118_38,1).
 1687atm(d119,d119_1,c,22,-0.116).
 1688atm(d119,d119_2,c,22,-0.116).
 1689atm(d119,d119_3,c,22,-0.116).
 1690atm(d119,d119_4,c,29,0.014).
 1691atm(d119,d119_5,c,22,-0.116).
 1692atm(d119,d119_6,c,22,-0.116).
 1693atm(d119,d119_7,h,3,0.144).
 1694atm(d119,d119_8,h,3,0.144).
 1695atm(d119,d119_9,h,3,0.144).
 1696atm(d119,d119_10,h,3,0.144).
 1697atm(d119,d119_11,c,29,0.014).
 1698atm(d119,d119_12,c,22,-0.116).
 1699atm(d119,d119_13,c,22,-0.116).
 1700atm(d119,d119_14,c,22,-0.116).
 1701atm(d119,d119_15,c,22,-0.116).
 1702atm(d119,d119_16,c,22,-0.116).
 1703atm(d119,d119_17,h,3,0.144).
 1704atm(d119,d119_18,h,3,0.144).
 1705atm(d119,d119_19,h,3,0.144).
 1706atm(d119,d119_20,n,38,0.813).
 1707atm(d119,d119_21,n,38,0.813).
 1708atm(d119,d119_22,n,38,0.814).
 1709atm(d119,d119_23,o,40,-0.386).
 1710atm(d119,d119_24,o,40,-0.386).
 1711atm(d119,d119_25,o,40,-0.386).
 1712atm(d119,d119_26,o,40,-0.386).
 1713atm(d119,d119_27,o,40,-0.386).
 1714atm(d119,d119_28,o,40,-0.386).
 1715
 1716bond(d119,d119_1,d119_2,7).
 1717bond(d119,d119_2,d119_3,7).
 1718bond(d119,d119_3,d119_4,7).
 1719bond(d119,d119_4,d119_5,7).
 1720bond(d119,d119_5,d119_6,7).
 1721bond(d119,d119_6,d119_1,7).
 1722bond(d119,d119_1,d119_7,1).
 1723bond(d119,d119_2,d119_8,1).
 1724bond(d119,d119_3,d119_9,1).
 1725bond(d119,d119_6,d119_10,1).
 1726bond(d119,d119_11,d119_12,7).
 1727bond(d119,d119_12,d119_13,7).
 1728bond(d119,d119_13,d119_14,7).
 1729bond(d119,d119_14,d119_15,7).
 1730bond(d119,d119_15,d119_16,7).
 1731bond(d119,d119_16,d119_11,7).
 1732bond(d119,d119_12,d119_17,1).
 1733bond(d119,d119_13,d119_18,1).
 1734bond(d119,d119_15,d119_19,1).
 1735bond(d119,d119_4,d119_11,1).
 1736bond(d119,d119_16,d119_20,1).
 1737bond(d119,d119_14,d119_21,1).
 1738bond(d119,d119_5,d119_22,1).
 1739bond(d119,d119_22,d119_23,2).
 1740bond(d119,d119_22,d119_24,2).
 1741bond(d119,d119_20,d119_25,2).
 1742bond(d119,d119_20,d119_26,2).
 1743bond(d119,d119_21,d119_27,2).
 1744bond(d119,d119_21,d119_28,2).
 1745atm(d12,d12_1,c,22,-0.111).
 1746atm(d12,d12_2,c,22,-0.111).
 1747atm(d12,d12_3,c,27,0.019).
 1748atm(d12,d12_4,c,27,-0.081).
 1749atm(d12,d12_5,c,27,0.019).
 1750atm(d12,d12_6,c,22,-0.111).
 1751atm(d12,d12_7,h,3,0.149).
 1752atm(d12,d12_8,h,3,0.15).
 1753atm(d12,d12_9,c,27,-0.081).
 1754atm(d12,d12_10,c,27,0.019).
 1755atm(d12,d12_11,c,22,-0.111).
 1756atm(d12,d12_12,c,22,-0.111).
 1757atm(d12,d12_13,h,3,0.15).
 1758atm(d12,d12_14,h,3,0.15).
 1759atm(d12,d12_15,c,22,-0.111).
 1760atm(d12,d12_16,c,22,-0.111).
 1761atm(d12,d12_17,c,27,0.019).
 1762atm(d12,d12_18,h,3,0.149).
 1763atm(d12,d12_19,h,3,0.149).
 1764atm(d12,d12_20,c,22,-0.111).
 1765atm(d12,d12_21,c,22,-0.111).
 1766atm(d12,d12_22,c,22,-0.111).
 1767atm(d12,d12_23,h,3,0.15).
 1768atm(d12,d12_24,h,3,0.149).
 1769atm(d12,d12_25,n,38,0.82).
 1770atm(d12,d12_26,o,40,-0.38).
 1771atm(d12,d12_27,o,40,-0.38).
 1772atm(d12,d12_28,n,32,-0.76).
 1773atm(d12,d12_29,h,1,0.35).
 1774atm(d12,d12_30,h,1,0.35).
 1775
 1776bond(d12,d12_1,d12_2,7).
 1777bond(d12,d12_2,d12_3,7).
 1778bond(d12,d12_3,d12_4,7).
 1779bond(d12,d12_4,d12_5,7).
 1780bond(d12,d12_5,d12_6,7).
 1781bond(d12,d12_6,d12_1,7).
 1782bond(d12,d12_1,d12_7,1).
 1783bond(d12,d12_2,d12_8,1).
 1784bond(d12,d12_4,d12_9,7).
 1785bond(d12,d12_9,d12_10,7).
 1786bond(d12,d12_10,d12_11,7).
 1787bond(d12,d12_11,d12_12,7).
 1788bond(d12,d12_12,d12_5,7).
 1789bond(d12,d12_11,d12_13,1).
 1790bond(d12,d12_12,d12_14,1).
 1791bond(d12,d12_3,d12_15,7).
 1792bond(d12,d12_15,d12_16,7).
 1793bond(d12,d12_16,d12_17,7).
 1794bond(d12,d12_17,d12_9,7).
 1795bond(d12,d12_15,d12_18,1).
 1796bond(d12,d12_16,d12_19,1).
 1797bond(d12,d12_17,d12_20,7).
 1798bond(d12,d12_20,d12_21,7).
 1799bond(d12,d12_21,d12_22,7).
 1800bond(d12,d12_22,d12_10,7).
 1801bond(d12,d12_20,d12_23,1).
 1802bond(d12,d12_21,d12_24,1).
 1803bond(d12,d12_25,d12_6,1).
 1804bond(d12,d12_26,d12_25,2).
 1805bond(d12,d12_27,d12_25,2).
 1806bond(d12,d12_22,d12_28,1).
 1807bond(d12,d12_28,d12_29,1).
 1808bond(d12,d12_28,d12_30,1).
 1809atm(d120,d120_1,c,22,-0.107).
 1810atm(d120,d120_2,c,22,-0.107).
 1811atm(d120,d120_3,c,26,0.323).
 1812atm(d120,d120_4,c,26,0.123).
 1813atm(d120,d120_5,c,22,-0.107).
 1814atm(d120,d120_6,c,22,-0.107).
 1815atm(d120,d120_7,n,34,-0.517).
 1816atm(d120,d120_8,n,34,-0.377).
 1817atm(d120,d120_9,c,21,-0.107).
 1818atm(d120,d120_10,c,10,0.113).
 1819atm(d120,d120_11,n,38,0.823).
 1820atm(d120,d120_12,o,40,-0.377).
 1821atm(d120,d120_13,o,40,-0.377).
 1822atm(d120,d120_14,h,3,0.153).
 1823atm(d120,d120_15,h,3,0.153).
 1824atm(d120,d120_16,h,3,0.123).
 1825atm(d120,d120_17,h,3,0.153).
 1826atm(d120,d120_18,h,3,0.073).
 1827atm(d120,d120_19,h,3,0.073).
 1828atm(d120,d120_20,h,3,0.073).
 1829
 1830bond(d120,d120_1,d120_2,7).
 1831bond(d120,d120_2,d120_3,7).
 1832bond(d120,d120_3,d120_4,7).
 1833bond(d120,d120_4,d120_5,7).
 1834bond(d120,d120_5,d120_6,7).
 1835bond(d120,d120_6,d120_1,7).
 1836bond(d120,d120_3,d120_7,7).
 1837bond(d120,d120_7,d120_8,7).
 1838bond(d120,d120_4,d120_9,7).
 1839bond(d120,d120_9,d120_8,7).
 1840bond(d120,d120_7,d120_10,1).
 1841bond(d120,d120_6,d120_11,1).
 1842bond(d120,d120_11,d120_12,2).
 1843bond(d120,d120_11,d120_13,2).
 1844bond(d120,d120_1,d120_14,1).
 1845bond(d120,d120_2,d120_15,1).
 1846bond(d120,d120_5,d120_16,1).
 1847bond(d120,d120_9,d120_17,1).
 1848bond(d120,d120_10,d120_18,1).
 1849bond(d120,d120_10,d120_19,1).
 1850bond(d120,d120_10,d120_20,1).
 1851atm(d121,d121_1,c,22,-0.115).
 1852atm(d121,d121_2,c,22,-0.115).
 1853atm(d121,d121_3,c,27,0.015).
 1854atm(d121,d121_4,c,27,-0.085).
 1855atm(d121,d121_5,c,28,0.015).
 1856atm(d121,d121_6,c,22,-0.115).
 1857atm(d121,d121_7,h,3,0.145).
 1858atm(d121,d121_8,h,3,0.145).
 1859atm(d121,d121_9,c,22,-0.115).
 1860atm(d121,d121_10,c,22,-0.115).
 1861atm(d121,d121_11,c,22,-0.115).
 1862atm(d121,d121_12,c,29,0.015).
 1863atm(d121,d121_13,h,3,0.145).
 1864atm(d121,d121_14,c,28,0.015).
 1865atm(d121,d121_15,c,28,0.015).
 1866atm(d121,d121_16,c,22,-0.115).
 1867atm(d121,d121_17,c,22,-0.115).
 1868atm(d121,d121_18,c,22,-0.115).
 1869atm(d121,d121_19,c,22,-0.115).
 1870atm(d121,d121_20,h,3,0.146).
 1871atm(d121,d121_21,h,3,0.145).
 1872atm(d121,d121_22,h,3,0.145).
 1873atm(d121,d121_23,h,3,0.145).
 1874atm(d121,d121_24,n,38,0.816).
 1875atm(d121,d121_25,n,38,0.816).
 1876atm(d121,d121_26,n,38,0.816).
 1877atm(d121,d121_27,o,40,-0.384).
 1878atm(d121,d121_28,o,40,-0.384).
 1879atm(d121,d121_29,o,40,-0.384).
 1880atm(d121,d121_30,o,40,-0.384).
 1881atm(d121,d121_31,o,40,-0.384).
 1882atm(d121,d121_32,o,40,-0.384).
 1883
 1884bond(d121,d121_1,d121_2,7).
 1885bond(d121,d121_2,d121_3,7).
 1886bond(d121,d121_3,d121_4,7).
 1887bond(d121,d121_4,d121_5,7).
 1888bond(d121,d121_5,d121_6,7).
 1889bond(d121,d121_6,d121_1,7).
 1890bond(d121,d121_2,d121_7,1).
 1891bond(d121,d121_6,d121_8,1).
 1892bond(d121,d121_3,d121_9,7).
 1893bond(d121,d121_9,d121_10,7).
 1894bond(d121,d121_10,d121_11,7).
 1895bond(d121,d121_11,d121_12,7).
 1896bond(d121,d121_12,d121_4,7).
 1897bond(d121,d121_9,d121_13,1).
 1898bond(d121,d121_14,d121_15,7).
 1899bond(d121,d121_15,d121_16,7).
 1900bond(d121,d121_16,d121_17,7).
 1901bond(d121,d121_17,d121_18,7).
 1902bond(d121,d121_18,d121_19,7).
 1903bond(d121,d121_19,d121_14,7).
 1904bond(d121,d121_16,d121_20,1).
 1905bond(d121,d121_17,d121_21,1).
 1906bond(d121,d121_18,d121_22,1).
 1907bond(d121,d121_19,d121_23,1).
 1908bond(d121,d121_14,d121_5,1).
 1909bond(d121,d121_15,d121_12,1).
 1910bond(d121,d121_11,d121_24,1).
 1911bond(d121,d121_10,d121_25,1).
 1912bond(d121,d121_1,d121_26,1).
 1913bond(d121,d121_24,d121_27,2).
 1914bond(d121,d121_24,d121_28,2).
 1915bond(d121,d121_25,d121_29,2).
 1916bond(d121,d121_25,d121_30,2).
 1917bond(d121,d121_26,d121_31,2).
 1918bond(d121,d121_26,d121_32,2).
 1919atm(d122,d122_1,c,22,-0.113).
 1920atm(d122,d122_2,c,22,-0.113).
 1921atm(d122,d122_3,c,27,0.017).
 1922atm(d122,d122_4,c,27,-0.083).
 1923atm(d122,d122_5,c,22,-0.113).
 1924atm(d122,d122_6,c,22,-0.113).
 1925atm(d122,d122_7,h,3,0.146).
 1926atm(d122,d122_8,h,3,0.146).
 1927atm(d122,d122_9,h,3,0.146).
 1928atm(d122,d122_10,h,3,0.146).
 1929atm(d122,d122_11,c,22,-0.113).
 1930atm(d122,d122_12,c,22,-0.113).
 1931atm(d122,d122_13,c,195,-0.083).
 1932atm(d122,d122_14,c,195,-0.083).
 1933atm(d122,d122_15,h,3,0.146).
 1934atm(d122,d122_16,c,27,-0.083).
 1935atm(d122,d122_17,c,27,0.017).
 1936atm(d122,d122_18,c,22,-0.113).
 1937atm(d122,d122_19,c,22,-0.113).
 1938atm(d122,d122_20,h,3,0.146).
 1939atm(d122,d122_21,h,3,0.146).
 1940atm(d122,d122_22,c,22,-0.113).
 1941atm(d122,d122_23,c,22,-0.113).
 1942atm(d122,d122_24,c,22,-0.113).
 1943atm(d122,d122_25,c,22,-0.113).
 1944atm(d122,d122_26,h,3,0.146).
 1945atm(d122,d122_27,h,3,0.146).
 1946atm(d122,d122_28,h,3,0.146).
 1947atm(d122,d122_29,h,3,0.146).
 1948atm(d122,d122_30,n,38,0.816).
 1949atm(d122,d122_31,o,40,-0.384).
 1950atm(d122,d122_32,o,40,-0.384).
 1951
 1952bond(d122,d122_1,d122_2,7).
 1953bond(d122,d122_2,d122_3,7).
 1954bond(d122,d122_3,d122_4,7).
 1955bond(d122,d122_4,d122_5,7).
 1956bond(d122,d122_5,d122_6,7).
 1957bond(d122,d122_6,d122_1,7).
 1958bond(d122,d122_1,d122_7,1).
 1959bond(d122,d122_2,d122_8,1).
 1960bond(d122,d122_5,d122_9,1).
 1961bond(d122,d122_6,d122_10,1).
 1962bond(d122,d122_3,d122_11,7).
 1963bond(d122,d122_11,d122_12,7).
 1964bond(d122,d122_12,d122_13,7).
 1965bond(d122,d122_13,d122_14,7).
 1966bond(d122,d122_14,d122_4,7).
 1967bond(d122,d122_12,d122_15,1).
 1968bond(d122,d122_13,d122_16,7).
 1969bond(d122,d122_16,d122_17,7).
 1970bond(d122,d122_17,d122_18,7).
 1971bond(d122,d122_18,d122_19,7).
 1972bond(d122,d122_19,d122_14,7).
 1973bond(d122,d122_18,d122_20,1).
 1974bond(d122,d122_19,d122_21,1).
 1975bond(d122,d122_16,d122_22,7).
 1976bond(d122,d122_22,d122_23,7).
 1977bond(d122,d122_23,d122_24,7).
 1978bond(d122,d122_24,d122_25,7).
 1979bond(d122,d122_25,d122_17,7).
 1980bond(d122,d122_22,d122_26,1).
 1981bond(d122,d122_23,d122_27,1).
 1982bond(d122,d122_24,d122_28,1).
 1983bond(d122,d122_25,d122_29,1).
 1984bond(d122,d122_11,d122_30,1).
 1985bond(d122,d122_30,d122_31,2).
 1986bond(d122,d122_30,d122_32,2).
 1987atm(d123,d123_1,c,22,-0.124).
 1988atm(d123,d123_2,c,22,-0.124).
 1989atm(d123,d123_3,c,22,-0.124).
 1990atm(d123,d123_4,c,29,0.006).
 1991atm(d123,d123_5,c,22,-0.173).
 1992atm(d123,d123_6,c,22,-0.124).
 1993atm(d123,d123_7,h,3,0.137).
 1994atm(d123,d123_8,h,3,0.137).
 1995atm(d123,d123_9,h,3,0.137).
 1996atm(d123,d123_10,h,3,0.137).
 1997atm(d123,d123_11,c,29,0.006).
 1998atm(d123,d123_12,c,22,-0.124).
 1999atm(d123,d123_13,c,22,-0.124).
 2000atm(d123,d123_14,c,22,-0.124).
 2001atm(d123,d123_15,c,22,-0.173).
 2002atm(d123,d123_16,c,22,-0.124).
 2003atm(d123,d123_17,h,3,0.136).
 2004atm(d123,d123_18,h,3,0.136).
 2005atm(d123,d123_19,c,10,0.006).
 2006atm(d123,d123_20,h,3,0.056).
 2007atm(d123,d123_21,h,3,0.056).
 2008atm(d123,d123_22,h,3,0.056).
 2009atm(d123,d123_23,h,3,0.137).
 2010atm(d123,d123_24,c,10,0.006).
 2011atm(d123,d123_25,h,3,0.056).
 2012atm(d123,d123_26,h,3,0.056).
 2013atm(d123,d123_27,h,3,0.056).
 2014atm(d123,d123_28,n,38,0.807).
 2015atm(d123,d123_29,o,40,-0.393).
 2016atm(d123,d123_30,o,40,-0.393).
 2017
 2018bond(d123,d123_1,d123_2,7).
 2019bond(d123,d123_2,d123_3,7).
 2020bond(d123,d123_3,d123_4,7).
 2021bond(d123,d123_4,d123_5,7).
 2022bond(d123,d123_5,d123_6,7).
 2023bond(d123,d123_6,d123_1,7).
 2024bond(d123,d123_1,d123_7,1).
 2025bond(d123,d123_2,d123_8,1).
 2026bond(d123,d123_3,d123_9,1).
 2027bond(d123,d123_6,d123_10,1).
 2028bond(d123,d123_11,d123_12,7).
 2029bond(d123,d123_12,d123_13,7).
 2030bond(d123,d123_13,d123_14,7).
 2031bond(d123,d123_14,d123_15,7).
 2032bond(d123,d123_15,d123_16,7).
 2033bond(d123,d123_16,d123_11,7).
 2034bond(d123,d123_12,d123_17,1).
 2035bond(d123,d123_13,d123_18,1).
 2036bond(d123,d123_4,d123_11,1).
 2037bond(d123,d123_15,d123_19,1).
 2038bond(d123,d123_19,d123_20,1).
 2039bond(d123,d123_19,d123_21,1).
 2040bond(d123,d123_19,d123_22,1).
 2041bond(d123,d123_16,d123_23,1).
 2042bond(d123,d123_5,d123_24,1).
 2043bond(d123,d123_24,d123_25,1).
 2044bond(d123,d123_24,d123_26,1).
 2045bond(d123,d123_24,d123_27,1).
 2046bond(d123,d123_14,d123_28,1).
 2047bond(d123,d123_28,d123_29,2).
 2048bond(d123,d123_28,d123_30,2).
 2049atm(d124,d124_1,c,22,-0.121).
 2050atm(d124,d124_2,c,22,0.309).
 2051atm(d124,d124_3,c,22,-0.121).
 2052atm(d124,d124_4,c,22,0.31).
 2053atm(d124,d124_5,c,22,-0.121).
 2054atm(d124,d124_6,c,22,-0.121).
 2055atm(d124,d124_7,h,3,0.139).
 2056atm(d124,d124_8,h,3,0.139).
 2057atm(d124,d124_9,h,3,0.139).
 2058atm(d124,d124_10,n,38,0.81).
 2059atm(d124,d124_11,f,92,-0.291).
 2060atm(d124,d124_12,f,92,-0.291).
 2061atm(d124,d124_13,o,40,-0.39).
 2062atm(d124,d124_14,o,40,-0.39).
 2063
 2064bond(d124,d124_1,d124_2,7).
 2065bond(d124,d124_2,d124_3,7).
 2066bond(d124,d124_3,d124_4,7).
 2067bond(d124,d124_4,d124_5,7).
 2068bond(d124,d124_5,d124_6,7).
 2069bond(d124,d124_6,d124_1,7).
 2070bond(d124,d124_1,d124_7,1).
 2071bond(d124,d124_3,d124_8,1).
 2072bond(d124,d124_6,d124_9,1).
 2073bond(d124,d124_5,d124_10,1).
 2074bond(d124,d124_4,d124_11,1).
 2075bond(d124,d124_2,d124_12,1).
 2076bond(d124,d124_10,d124_13,2).
 2077bond(d124,d124_10,d124_14,2).
 2078atm(d125,d125_1,c,22,-0.119).
 2079atm(d125,d125_2,c,22,-0.119).
 2080atm(d125,d125_3,c,22,0.011).
 2081atm(d125,d125_4,c,195,-0.089).
 2082atm(d125,d125_5,c,195,0.011).
 2083atm(d125,d125_6,c,22,-0.119).
 2084atm(d125,d125_7,c,10,-0.089).
 2085atm(d125,d125_8,c,10,-0.089).
 2086atm(d125,d125_9,c,22,0.011).
 2087atm(d125,d125_10,c,27,-0.089).
 2088atm(d125,d125_11,c,27,0.011).
 2089atm(d125,d125_12,c,22,-0.119).
 2090atm(d125,d125_13,c,22,-0.119).
 2091atm(d125,d125_14,c,22,-0.119).
 2092atm(d125,d125_15,c,22,-0.119).
 2093atm(d125,d125_16,c,22,-0.119).
 2094atm(d125,d125_17,n,38,0.811).
 2095atm(d125,d125_18,h,3,0.141).
 2096atm(d125,d125_19,h,3,0.141).
 2097atm(d125,d125_20,h,3,0.141).
 2098atm(d125,d125_21,h,3,0.141).
 2099atm(d125,d125_22,h,3,0.141).
 2100atm(d125,d125_23,h,3,0.141).
 2101atm(d125,d125_24,h,3,0.141).
 2102atm(d125,d125_25,h,3,0.061).
 2103atm(d125,d125_26,h,3,0.061).
 2104atm(d125,d125_27,h,3,0.061).
 2105atm(d125,d125_28,h,3,0.061).
 2106atm(d125,d125_29,o,40,-0.389).
 2107atm(d125,d125_30,o,40,-0.389).
 2108
 2109bond(d125,d125_1,d125_2,7).
 2110bond(d125,d125_2,d125_3,7).
 2111bond(d125,d125_3,d125_4,7).
 2112bond(d125,d125_4,d125_5,7).
 2113bond(d125,d125_5,d125_6,7).
 2114bond(d125,d125_6,d125_1,7).
 2115bond(d125,d125_3,d125_7,1).
 2116bond(d125,d125_7,d125_8,1).
 2117bond(d125,d125_8,d125_9,1).
 2118bond(d125,d125_9,d125_10,7).
 2119bond(d125,d125_10,d125_4,7).
 2120bond(d125,d125_10,d125_11,7).
 2121bond(d125,d125_11,d125_12,7).
 2122bond(d125,d125_12,d125_13,7).
 2123bond(d125,d125_13,d125_5,7).
 2124bond(d125,d125_9,d125_14,7).
 2125bond(d125,d125_14,d125_15,7).
 2126bond(d125,d125_15,d125_16,7).
 2127bond(d125,d125_16,d125_11,7).
 2128bond(d125,d125_15,d125_17,1).
 2129bond(d125,d125_1,d125_18,1).
 2130bond(d125,d125_2,d125_19,1).
 2131bond(d125,d125_6,d125_20,1).
 2132bond(d125,d125_12,d125_21,1).
 2133bond(d125,d125_13,d125_22,1).
 2134bond(d125,d125_14,d125_23,1).
 2135bond(d125,d125_16,d125_24,1).
 2136bond(d125,d125_7,d125_25,1).
 2137bond(d125,d125_7,d125_26,1).
 2138bond(d125,d125_8,d125_27,1).
 2139bond(d125,d125_8,d125_28,1).
 2140bond(d125,d125_17,d125_29,2).
 2141bond(d125,d125_17,d125_30,2).
 2142atm(d126,d126_1,c,22,-0.142).
 2143atm(d126,d126_2,c,22,-0.142).
 2144atm(d126,d126_3,c,22,0.188).
 2145atm(d126,d126_4,c,22,0.188).
 2146atm(d126,d126_5,c,22,-0.142).
 2147atm(d126,d126_6,c,22,-0.142).
 2148atm(d126,d126_7,h,3,0.118).
 2149atm(d126,d126_8,h,3,0.118).
 2150atm(d126,d126_9,h,3,0.118).
 2151atm(d126,d126_10,n,32,-0.412).
 2152atm(d126,d126_11,c,22,0.188).
 2153atm(d126,d126_12,c,22,0.188).
 2154atm(d126,d126_13,n,32,-0.412).
 2155atm(d126,d126_14,c,22,-0.142).
 2156atm(d126,d126_15,c,22,-0.142).
 2157atm(d126,d126_16,c,22,-0.142).
 2158atm(d126,d126_17,c,22,-0.142).
 2159atm(d126,d126_18,h,3,0.118).
 2160atm(d126,d126_19,h,3,0.118).
 2161atm(d126,d126_20,h,3,0.118).
 2162atm(d126,d126_21,h,1,0.288).
 2163atm(d126,d126_22,h,1,0.288).
 2164atm(d126,d126_23,n,38,0.787).
 2165atm(d126,d126_24,n,38,0.787).
 2166atm(d126,d126_25,o,40,-0.413).
 2167atm(d126,d126_26,o,40,-0.413).
 2168atm(d126,d126_27,o,40,-0.412).
 2169atm(d126,d126_28,o,40,-0.412).
 2170
 2171bond(d126,d126_1,d126_2,7).
 2172bond(d126,d126_2,d126_3,7).
 2173bond(d126,d126_3,d126_4,7).
 2174bond(d126,d126_4,d126_5,7).
 2175bond(d126,d126_5,d126_6,7).
 2176bond(d126,d126_6,d126_1,7).
 2177bond(d126,d126_2,d126_7,1).
 2178bond(d126,d126_5,d126_8,1).
 2179bond(d126,d126_6,d126_9,1).
 2180bond(d126,d126_3,d126_10,1).
 2181bond(d126,d126_10,d126_11,1).
 2182bond(d126,d126_11,d126_12,7).
 2183bond(d126,d126_12,d126_13,1).
 2184bond(d126,d126_13,d126_4,1).
 2185bond(d126,d126_11,d126_14,7).
 2186bond(d126,d126_14,d126_15,7).
 2187bond(d126,d126_15,d126_16,7).
 2188bond(d126,d126_16,d126_17,7).
 2189bond(d126,d126_17,d126_12,7).
 2190bond(d126,d126_14,d126_18,1).
 2191bond(d126,d126_15,d126_19,1).
 2192bond(d126,d126_16,d126_20,1).
 2193bond(d126,d126_13,d126_21,1).
 2194bond(d126,d126_10,d126_22,1).
 2195bond(d126,d126_17,d126_23,1).
 2196bond(d126,d126_1,d126_24,1).
 2197bond(d126,d126_23,d126_25,2).
 2198bond(d126,d126_23,d126_26,2).
 2199bond(d126,d126_24,d126_27,2).
 2200bond(d126,d126_24,d126_28,2).
 2201atm(d127,d127_1,c,22,-0.116).
 2202atm(d127,d127_2,c,22,-0.116).
 2203atm(d127,d127_3,c,22,-0.116).
 2204atm(d127,d127_4,c,29,0.014).
 2205atm(d127,d127_5,c,22,-0.116).
 2206atm(d127,d127_6,c,22,-0.116).
 2207atm(d127,d127_7,h,3,0.144).
 2208atm(d127,d127_8,h,3,0.144).
 2209atm(d127,d127_9,h,3,0.144).
 2210atm(d127,d127_10,h,3,0.144).
 2211atm(d127,d127_11,c,29,0.014).
 2212atm(d127,d127_12,c,22,-0.116).
 2213atm(d127,d127_13,c,22,-0.116).
 2214atm(d127,d127_14,c,22,-0.116).
 2215atm(d127,d127_15,c,22,-0.116).
 2216atm(d127,d127_16,c,22,-0.116).
 2217atm(d127,d127_17,h,3,0.144).
 2218atm(d127,d127_18,h,3,0.144).
 2219atm(d127,d127_19,h,3,0.144).
 2220atm(d127,d127_20,n,38,0.813).
 2221atm(d127,d127_21,n,38,0.813).
 2222atm(d127,d127_22,n,38,0.814).
 2223atm(d127,d127_23,o,40,-0.386).
 2224atm(d127,d127_24,o,40,-0.386).
 2225atm(d127,d127_25,o,40,-0.386).
 2226atm(d127,d127_26,o,40,-0.386).
 2227atm(d127,d127_27,o,40,-0.386).
 2228atm(d127,d127_28,o,40,-0.386).
 2229
 2230bond(d127,d127_1,d127_2,7).
 2231bond(d127,d127_2,d127_3,7).
 2232bond(d127,d127_3,d127_4,7).
 2233bond(d127,d127_4,d127_5,7).
 2234bond(d127,d127_5,d127_6,7).
 2235bond(d127,d127_6,d127_1,7).
 2236bond(d127,d127_1,d127_7,1).
 2237bond(d127,d127_2,d127_8,1).
 2238bond(d127,d127_3,d127_9,1).
 2239bond(d127,d127_5,d127_10,1).
 2240bond(d127,d127_11,d127_12,7).
 2241bond(d127,d127_12,d127_13,7).
 2242bond(d127,d127_13,d127_14,7).
 2243bond(d127,d127_14,d127_15,7).
 2244bond(d127,d127_15,d127_16,7).
 2245bond(d127,d127_16,d127_11,7).
 2246bond(d127,d127_12,d127_17,1).
 2247bond(d127,d127_13,d127_18,1).
 2248bond(d127,d127_16,d127_19,1).
 2249bond(d127,d127_4,d127_11,1).
 2250bond(d127,d127_15,d127_20,1).
 2251bond(d127,d127_6,d127_21,1).
 2252bond(d127,d127_14,d127_22,1).
 2253bond(d127,d127_20,d127_23,2).
 2254bond(d127,d127_20,d127_24,2).
 2255bond(d127,d127_22,d127_25,2).
 2256bond(d127,d127_22,d127_26,2).
 2257bond(d127,d127_21,d127_27,2).
 2258bond(d127,d127_21,d127_28,2).
 2259atm(d128,d128_1,c,22,-0.11).
 2260atm(d128,d128_2,c,22,-0.11).
 2261atm(d128,d128_3,c,27,0.02).
 2262atm(d128,d128_4,c,27,-0.08).
 2263atm(d128,d128_5,c,26,-0.08).
 2264atm(d128,d128_6,c,22,-0.11).
 2265atm(d128,d128_7,c,22,-0.11).
 2266atm(d128,d128_8,c,22,-0.11).
 2267atm(d128,d128_9,c,22,-0.11).
 2268atm(d128,d128_10,c,26,-0.08).
 2269atm(d128,d128_11,c,21,-0.08).
 2270atm(d128,d128_12,c,21,-0.08).
 2271atm(d128,d128_13,h,3,0.149).
 2272atm(d128,d128_14,h,3,0.149).
 2273atm(d128,d128_15,h,3,0.149).
 2274atm(d128,d128_16,h,3,0.149).
 2275atm(d128,d128_17,h,3,0.149).
 2276atm(d128,d128_18,h,3,0.119).
 2277atm(d128,d128_19,h,3,0.119).
 2278atm(d128,d128_20,n,38,0.819).
 2279atm(d128,d128_21,o,40,-0.381).
 2280atm(d128,d128_22,o,40,-0.381).
 2281
 2282bond(d128,d128_1,d128_2,7).
 2283bond(d128,d128_2,d128_3,7).
 2284bond(d128,d128_3,d128_4,7).
 2285bond(d128,d128_4,d128_5,7).
 2286bond(d128,d128_5,d128_6,7).
 2287bond(d128,d128_6,d128_1,7).
 2288bond(d128,d128_3,d128_7,7).
 2289bond(d128,d128_7,d128_8,7).
 2290bond(d128,d128_8,d128_9,7).
 2291bond(d128,d128_9,d128_10,7).
 2292bond(d128,d128_10,d128_4,7).
 2293bond(d128,d128_5,d128_11,7).
 2294bond(d128,d128_10,d128_12,7).
 2295bond(d128,d128_11,d128_12,7).
 2296bond(d128,d128_1,d128_13,1).
 2297bond(d128,d128_2,d128_14,1).
 2298bond(d128,d128_6,d128_15,1).
 2299bond(d128,d128_8,d128_16,1).
 2300bond(d128,d128_9,d128_17,1).
 2301bond(d128,d128_11,d128_18,1).
 2302bond(d128,d128_12,d128_19,1).
 2303bond(d128,d128_7,d128_20,1).
 2304bond(d128,d128_20,d128_21,2).
 2305bond(d128,d128_20,d128_22,2).
 2306atm(d129,d129_1,c,22,-0.122).
 2307atm(d129,d129_2,c,22,-0.122).
 2308atm(d129,d129_3,c,22,-0.122).
 2309atm(d129,d129_4,c,22,-0.122).
 2310atm(d129,d129_5,c,22,0.208).
 2311atm(d129,d129_6,c,22,-0.122).
 2312atm(d129,d129_7,h,3,0.138).
 2313atm(d129,d129_8,h,3,0.138).
 2314atm(d129,d129_9,h,3,0.138).
 2315atm(d129,d129_10,n,32,-0.392).
 2316atm(d129,d129_11,n,36,-0.292).
 2317atm(d129,d129_12,h,1,0.308).
 2318atm(d129,d129_13,h,1,0.158).
 2319atm(d129,d129_14,h,1,0.158).
 2320atm(d129,d129_15,n,38,0.808).
 2321atm(d129,d129_16,n,38,0.808).
 2322atm(d129,d129_17,o,40,-0.392).
 2323atm(d129,d129_18,o,40,-0.392).
 2324atm(d129,d129_19,o,40,-0.392).
 2325atm(d129,d129_20,o,40,-0.392).
 2326
 2327bond(d129,d129_1,d129_2,7).
 2328bond(d129,d129_2,d129_3,7).
 2329bond(d129,d129_3,d129_4,7).
 2330bond(d129,d129_4,d129_5,7).
 2331bond(d129,d129_5,d129_6,7).
 2332bond(d129,d129_6,d129_1,7).
 2333bond(d129,d129_1,d129_7,1).
 2334bond(d129,d129_3,d129_8,1).
 2335bond(d129,d129_6,d129_9,1).
 2336bond(d129,d129_5,d129_10,1).
 2337bond(d129,d129_10,d129_11,1).
 2338bond(d129,d129_10,d129_12,1).
 2339bond(d129,d129_11,d129_13,1).
 2340bond(d129,d129_11,d129_14,1).
 2341bond(d129,d129_4,d129_15,1).
 2342bond(d129,d129_2,d129_16,1).
 2343bond(d129,d129_15,d129_17,2).
 2344bond(d129,d129_15,d129_18,2).
 2345bond(d129,d129_16,d129_19,2).
 2346bond(d129,d129_16,d129_20,2).
 2347atm(d13,d13_1,c,22,-0.118).
 2348atm(d13,d13_2,c,22,-0.118).
 2349atm(d13,d13_3,c,27,0.012).
 2350atm(d13,d13_4,c,27,-0.088).
 2351atm(d13,d13_5,c,28,0.012).
 2352atm(d13,d13_6,c,22,-0.118).
 2353atm(d13,d13_7,c,22,-0.118).
 2354atm(d13,d13_8,c,22,-0.118).
 2355atm(d13,d13_9,c,22,-0.118).
 2356atm(d13,d13_10,c,29,0.012).
 2357atm(d13,d13_11,c,22,-0.118).
 2358atm(d13,d13_12,c,29,0.012).
 2359atm(d13,d13_13,c,28,0.012).
 2360atm(d13,d13_14,c,22,-0.118).
 2361atm(d13,d13_15,c,22,-0.118).
 2362atm(d13,d13_16,c,22,-0.118).
 2363atm(d13,d13_17,n,38,0.812).
 2364atm(d13,d13_18,n,38,0.812).
 2365atm(d13,d13_19,o,40,-0.388).
 2366atm(d13,d13_20,o,40,-0.388).
 2367atm(d13,d13_21,o,40,-0.388).
 2368atm(d13,d13_22,o,40,-0.388).
 2369atm(d13,d13_23,h,3,0.142).
 2370atm(d13,d13_24,h,3,0.142).
 2371atm(d13,d13_25,h,3,0.142).
 2372atm(d13,d13_26,h,3,0.142).
 2373atm(d13,d13_27,h,3,0.142).
 2374atm(d13,d13_28,h,3,0.142).
 2375atm(d13,d13_29,h,3,0.142).
 2376atm(d13,d13_30,h,3,0.142).
 2377
 2378bond(d13,d13_1,d13_2,7).
 2379bond(d13,d13_2,d13_3,7).
 2380bond(d13,d13_3,d13_4,7).
 2381bond(d13,d13_4,d13_5,7).
 2382bond(d13,d13_5,d13_6,7).
 2383bond(d13,d13_6,d13_1,7).
 2384bond(d13,d13_3,d13_7,7).
 2385bond(d13,d13_7,d13_8,7).
 2386bond(d13,d13_8,d13_9,7).
 2387bond(d13,d13_9,d13_10,7).
 2388bond(d13,d13_10,d13_4,7).
 2389bond(d13,d13_11,d13_12,7).
 2390bond(d13,d13_12,d13_13,7).
 2391bond(d13,d13_13,d13_14,7).
 2392bond(d13,d13_14,d13_15,7).
 2393bond(d13,d13_15,d13_16,7).
 2394bond(d13,d13_16,d13_11,7).
 2395bond(d13,d13_12,d13_5,1).
 2396bond(d13,d13_13,d13_10,1).
 2397bond(d13,d13_8,d13_17,1).
 2398bond(d13,d13_2,d13_18,1).
 2399bond(d13,d13_17,d13_19,2).
 2400bond(d13,d13_17,d13_20,2).
 2401bond(d13,d13_18,d13_21,2).
 2402bond(d13,d13_18,d13_22,2).
 2403bond(d13,d13_1,d13_23,1).
 2404bond(d13,d13_6,d13_24,1).
 2405bond(d13,d13_7,d13_25,1).
 2406bond(d13,d13_9,d13_26,1).
 2407bond(d13,d13_11,d13_27,1).
 2408bond(d13,d13_14,d13_28,1).
 2409bond(d13,d13_15,d13_29,1).
 2410bond(d13,d13_16,d13_30,1).
 2411atm(d130,d130_1,c,22,-0.133).
 2412atm(d130,d130_2,c,22,-0.133).
 2413atm(d130,d130_3,c,22,-0.133).
 2414atm(d130,d130_4,c,22,-0.133).
 2415atm(d130,d130_5,c,22,0.176).
 2416atm(d130,d130_6,c,22,-0.134).
 2417atm(d130,d130_7,h,3,0.127).
 2418atm(d130,d130_8,h,3,0.127).
 2419atm(d130,d130_9,h,3,0.127).
 2420atm(d130,d130_10,h,3,0.127).
 2421atm(d130,d130_11,o,50,-0.234).
 2422atm(d130,d130_12,c,10,0.087).
 2423atm(d130,d130_13,h,3,0.047).
 2424atm(d130,d130_14,h,3,0.047).
 2425atm(d130,d130_15,h,3,0.047).
 2426atm(d130,d130_16,n,38,0.796).
 2427atm(d130,d130_17,o,40,-0.404).
 2428atm(d130,d130_18,o,40,-0.404).
 2429
 2430bond(d130,d130_1,d130_2,7).
 2431bond(d130,d130_2,d130_3,7).
 2432bond(d130,d130_3,d130_4,7).
 2433bond(d130,d130_4,d130_5,7).
 2434bond(d130,d130_5,d130_6,7).
 2435bond(d130,d130_6,d130_1,7).
 2436bond(d130,d130_1,d130_7,1).
 2437bond(d130,d130_2,d130_8,1).
 2438bond(d130,d130_3,d130_9,1).
 2439bond(d130,d130_6,d130_10,1).
 2440bond(d130,d130_5,d130_11,1).
 2441bond(d130,d130_11,d130_12,1).
 2442bond(d130,d130_12,d130_13,1).
 2443bond(d130,d130_12,d130_14,1).
 2444bond(d130,d130_12,d130_15,1).
 2445bond(d130,d130_4,d130_16,1).
 2446bond(d130,d130_16,d130_17,2).
 2447bond(d130,d130_16,d130_18,2).
 2448atm(d131,d131_1,c,22,-0.13).
 2449atm(d131,d131_2,c,22,-0.131).
 2450atm(d131,d131_3,c,22,-0.131).
 2451atm(d131,d131_4,c,22,-0.131).
 2452atm(d131,d131_5,c,22,0.099).
 2453atm(d131,d131_6,c,22,-0.131).
 2454atm(d131,d131_7,h,3,0.129).
 2455atm(d131,d131_8,h,3,0.129).
 2456atm(d131,d131_9,h,3,0.129).
 2457atm(d131,d131_10,h,3,0.129).
 2458atm(d131,d131_11,c,16,-0.2).
 2459atm(d131,d131_12,c,16,0.099).
 2460atm(d131,d131_13,h,3,0.099).
 2461atm(d131,d131_14,o,50,-0.23).
 2462atm(d131,d131_15,h,3,0.099).
 2463atm(d131,d131_16,c,22,0.18).
 2464atm(d131,d131_17,c,22,-0.131).
 2465atm(d131,d131_18,c,22,-0.131).
 2466atm(d131,d131_19,c,22,-0.131).
 2467atm(d131,d131_20,c,22,-0.13).
 2468atm(d131,d131_21,c,22,-0.13).
 2469atm(d131,d131_22,h,3,0.129).
 2470atm(d131,d131_23,h,3,0.129).
 2471atm(d131,d131_24,h,3,0.129).
 2472atm(d131,d131_25,h,3,0.129).
 2473atm(d131,d131_26,h,3,0.129).
 2474atm(d131,d131_27,n,38,0.8).
 2475atm(d131,d131_28,o,40,-0.4).
 2476atm(d131,d131_29,o,40,-0.4).
 2477
 2478bond(d131,d131_1,d131_2,7).
 2479bond(d131,d131_2,d131_3,7).
 2480bond(d131,d131_3,d131_4,7).
 2481bond(d131,d131_4,d131_5,7).
 2482bond(d131,d131_5,d131_6,7).
 2483bond(d131,d131_6,d131_1,7).
 2484bond(d131,d131_1,d131_7,1).
 2485bond(d131,d131_3,d131_8,1).
 2486bond(d131,d131_4,d131_9,1).
 2487bond(d131,d131_6,d131_10,1).
 2488bond(d131,d131_5,d131_11,1).
 2489bond(d131,d131_11,d131_12,2).
 2490bond(d131,d131_11,d131_13,1).
 2491bond(d131,d131_12,d131_14,1).
 2492bond(d131,d131_12,d131_15,1).
 2493bond(d131,d131_14,d131_16,1).
 2494bond(d131,d131_16,d131_17,7).
 2495bond(d131,d131_17,d131_18,7).
 2496bond(d131,d131_18,d131_19,7).
 2497bond(d131,d131_19,d131_20,7).
 2498bond(d131,d131_20,d131_21,7).
 2499bond(d131,d131_21,d131_16,7).
 2500bond(d131,d131_17,d131_22,1).
 2501bond(d131,d131_18,d131_23,1).
 2502bond(d131,d131_19,d131_24,1).
 2503bond(d131,d131_20,d131_25,1).
 2504bond(d131,d131_21,d131_26,1).
 2505bond(d131,d131_2,d131_27,1).
 2506bond(d131,d131_27,d131_28,2).
 2507bond(d131,d131_27,d131_29,2).
 2508atm(d132,d132_1,c,22,-0.122).
 2509atm(d132,d132_2,c,22,-0.122).
 2510atm(d132,d132_3,c,22,-0.122).
 2511atm(d132,d132_4,c,22,-0.122).
 2512atm(d132,d132_5,c,22,0.008).
 2513atm(d132,d132_6,c,22,-0.122).
 2514atm(d132,d132_7,h,3,0.138).
 2515atm(d132,d132_8,h,3,0.138).
 2516atm(d132,d132_9,h,3,0.138).
 2517atm(d132,d132_10,h,3,0.138).
 2518atm(d132,d132_11,c,14,0.238).
 2519atm(d132,d132_12,o,41,-0.421).
 2520atm(d132,d132_13,h,3,0.208).
 2521atm(d132,d132_14,n,38,0.809).
 2522atm(d132,d132_15,o,40,-0.392).
 2523atm(d132,d132_16,o,40,-0.392).
 2524
 2525bond(d132,d132_1,d132_2,7).
 2526bond(d132,d132_2,d132_3,7).
 2527bond(d132,d132_3,d132_4,7).
 2528bond(d132,d132_4,d132_5,7).
 2529bond(d132,d132_5,d132_6,7).
 2530bond(d132,d132_6,d132_1,7).
 2531bond(d132,d132_1,d132_7,1).
 2532bond(d132,d132_2,d132_8,1).
 2533bond(d132,d132_3,d132_9,1).
 2534bond(d132,d132_6,d132_10,1).
 2535bond(d132,d132_5,d132_11,1).
 2536bond(d132,d132_11,d132_12,2).
 2537bond(d132,d132_11,d132_13,1).
 2538bond(d132,d132_4,d132_14,1).
 2539bond(d132,d132_14,d132_15,2).
 2540bond(d132,d132_14,d132_16,2).
 2541atm(d133,d133_1,c,22,-0.08).
 2542atm(d133,d133_2,c,22,-0.08).
 2543atm(d133,d133_3,c,22,0.229).
 2544atm(d133,d133_4,c,22,0.229).
 2545atm(d133,d133_5,c,22,-0.08).
 2546atm(d133,d133_6,c,22,-0.08).
 2547atm(d133,d133_7,h,3,0.179).
 2548atm(d133,d133_8,h,3,0.179).
 2549atm(d133,d133_9,o,50,-0.181).
 2550atm(d133,d133_10,c,22,0.229).
 2551atm(d133,d133_11,c,22,0.229).
 2552atm(d133,d133_12,o,50,-0.18).
 2553atm(d133,d133_13,c,22,-0.08).
 2554atm(d133,d133_14,c,22,-0.08).
 2555atm(d133,d133_15,c,22,-0.08).
 2556atm(d133,d133_16,c,22,-0.08).
 2557atm(d133,d133_17,h,3,0.18).
 2558atm(d133,d133_18,n,38,0.849).
 2559atm(d133,d133_19,cl,93,-0.15).
 2560atm(d133,d133_20,cl,93,-0.15).
 2561atm(d133,d133_21,cl,93,-0.15).
 2562atm(d133,d133_22,cl,93,-0.15).
 2563atm(d133,d133_23,o,40,-0.351).
 2564atm(d133,d133_24,o,40,-0.351).
 2565
 2566bond(d133,d133_1,d133_2,7).
 2567bond(d133,d133_2,d133_3,7).
 2568bond(d133,d133_3,d133_4,7).
 2569bond(d133,d133_4,d133_5,7).
 2570bond(d133,d133_5,d133_6,7).
 2571bond(d133,d133_6,d133_1,7).
 2572bond(d133,d133_2,d133_7,1).
 2573bond(d133,d133_5,d133_8,1).
 2574bond(d133,d133_3,d133_9,1).
 2575bond(d133,d133_9,d133_10,1).
 2576bond(d133,d133_10,d133_11,7).
 2577bond(d133,d133_11,d133_12,1).
 2578bond(d133,d133_12,d133_4,1).
 2579bond(d133,d133_10,d133_13,7).
 2580bond(d133,d133_13,d133_14,7).
 2581bond(d133,d133_14,d133_15,7).
 2582bond(d133,d133_15,d133_16,7).
 2583bond(d133,d133_16,d133_11,7).
 2584bond(d133,d133_13,d133_17,1).
 2585bond(d133,d133_15,d133_18,1).
 2586bond(d133,d133_16,d133_19,1).
 2587bond(d133,d133_14,d133_20,1).
 2588bond(d133,d133_1,d133_21,1).
 2589bond(d133,d133_6,d133_22,1).
 2590bond(d133,d133_18,d133_23,2).
 2591bond(d133,d133_18,d133_24,2).
 2592atm(d134,d134_1,c,22,-0.116).
 2593atm(d134,d134_2,c,22,-0.116).
 2594atm(d134,d134_3,c,22,0.014).
 2595atm(d134,d134_4,c,195,-0.086).
 2596atm(d134,d134_5,c,195,0.014).
 2597atm(d134,d134_6,c,22,-0.116).
 2598atm(d134,d134_7,c,10,-0.086).
 2599atm(d134,d134_8,c,10,-0.086).
 2600atm(d134,d134_9,c,22,0.014).
 2601atm(d134,d134_10,c,27,-0.086).
 2602atm(d134,d134_11,c,27,0.014).
 2603atm(d134,d134_12,c,22,-0.116).
 2604atm(d134,d134_13,c,22,-0.116).
 2605atm(d134,d134_14,c,22,-0.116).
 2606atm(d134,d134_15,c,22,-0.116).
 2607atm(d134,d134_16,c,22,-0.116).
 2608atm(d134,d134_17,h,3,0.145).
 2609atm(d134,d134_18,h,3,0.145).
 2610atm(d134,d134_19,h,3,0.145).
 2611atm(d134,d134_20,h,3,0.145).
 2612atm(d134,d134_21,h,3,0.145).
 2613atm(d134,d134_22,h,3,0.145).
 2614atm(d134,d134_23,h,3,0.064).
 2615atm(d134,d134_24,h,3,0.064).
 2616atm(d134,d134_25,h,3,0.064).
 2617atm(d134,d134_26,h,3,0.064).
 2618atm(d134,d134_27,n,38,0.815).
 2619atm(d134,d134_28,n,38,0.815).
 2620atm(d134,d134_29,o,40,-0.385).
 2621atm(d134,d134_30,o,40,-0.385).
 2622atm(d134,d134_31,o,40,-0.385).
 2623atm(d134,d134_32,o,40,-0.385).
 2624
 2625bond(d134,d134_1,d134_2,7).
 2626bond(d134,d134_2,d134_3,7).
 2627bond(d134,d134_3,d134_4,7).
 2628bond(d134,d134_4,d134_5,7).
 2629bond(d134,d134_5,d134_6,7).
 2630bond(d134,d134_6,d134_1,7).
 2631bond(d134,d134_3,d134_7,1).
 2632bond(d134,d134_7,d134_8,1).
 2633bond(d134,d134_8,d134_9,1).
 2634bond(d134,d134_9,d134_10,7).
 2635bond(d134,d134_10,d134_4,7).
 2636bond(d134,d134_10,d134_11,7).
 2637bond(d134,d134_11,d134_12,7).
 2638bond(d134,d134_12,d134_13,7).
 2639bond(d134,d134_13,d134_5,7).
 2640bond(d134,d134_9,d134_14,7).
 2641bond(d134,d134_14,d134_15,7).
 2642bond(d134,d134_15,d134_16,7).
 2643bond(d134,d134_16,d134_11,7).
 2644bond(d134,d134_2,d134_17,1).
 2645bond(d134,d134_6,d134_18,1).
 2646bond(d134,d134_12,d134_19,1).
 2647bond(d134,d134_13,d134_20,1).
 2648bond(d134,d134_14,d134_21,1).
 2649bond(d134,d134_16,d134_22,1).
 2650bond(d134,d134_7,d134_23,1).
 2651bond(d134,d134_7,d134_24,1).
 2652bond(d134,d134_8,d134_25,1).
 2653bond(d134,d134_8,d134_26,1).
 2654bond(d134,d134_27,d134_15,1).
 2655bond(d134,d134_1,d134_28,1).
 2656bond(d134,d134_27,d134_29,2).
 2657bond(d134,d134_27,d134_30,2).
 2658bond(d134,d134_28,d134_31,2).
 2659bond(d134,d134_28,d134_32,2).
 2660atm(d135,d135_1,c,22,-0.097).
 2661atm(d135,d135_2,c,22,0.333).
 2662atm(d135,d135_3,c,22,-0.097).
 2663atm(d135,d135_4,c,22,-0.097).
 2664atm(d135,d135_5,c,22,-0.097).
 2665atm(d135,d135_6,c,22,-0.097).
 2666atm(d135,d135_7,h,3,0.163).
 2667atm(d135,d135_8,h,3,0.163).
 2668atm(d135,d135_9,h,3,0.163).
 2669atm(d135,d135_10,n,38,0.832).
 2670atm(d135,d135_11,o,40,-0.367).
 2671atm(d135,d135_12,o,40,-0.368).
 2672atm(d135,d135_13,cl,93,-0.167).
 2673atm(d135,d135_14,f,92,-0.267).
 2674
 2675bond(d135,d135_1,d135_2,7).
 2676bond(d135,d135_2,d135_3,7).
 2677bond(d135,d135_3,d135_4,7).
 2678bond(d135,d135_4,d135_5,7).
 2679bond(d135,d135_5,d135_6,7).
 2680bond(d135,d135_6,d135_1,7).
 2681bond(d135,d135_1,d135_7,1).
 2682bond(d135,d135_4,d135_8,1).
 2683bond(d135,d135_6,d135_9,1).
 2684bond(d135,d135_5,d135_10,1).
 2685bond(d135,d135_10,d135_11,2).
 2686bond(d135,d135_10,d135_12,2).
 2687bond(d135,d135_3,d135_13,1).
 2688bond(d135,d135_2,d135_14,1).
 2689atm(d136,d136_1,c,22,-0.119).
 2690atm(d136,d136_2,c,22,-0.119).
 2691atm(d136,d136_3,c,27,0.011).
 2692atm(d136,d136_4,c,27,-0.089).
 2693atm(d136,d136_5,c,27,0.011).
 2694atm(d136,d136_6,c,22,-0.119).
 2695atm(d136,d136_7,h,3,0.141).
 2696atm(d136,d136_8,h,3,0.142).
 2697atm(d136,d136_9,h,3,0.142).
 2698atm(d136,d136_10,c,22,-0.119).
 2699atm(d136,d136_11,c,22,-0.119).
 2700atm(d136,d136_12,c,27,0.011).
 2701atm(d136,d136_13,c,27,-0.089).
 2702atm(d136,d136_14,h,3,0.141).
 2703atm(d136,d136_15,h,3,0.142).
 2704atm(d136,d136_16,c,27,0.011).
 2705atm(d136,d136_17,c,22,-0.119).
 2706atm(d136,d136_18,c,22,-0.119).
 2707atm(d136,d136_19,h,3,0.141).
 2708atm(d136,d136_20,h,3,0.142).
 2709atm(d136,d136_21,c,22,-0.119).
 2710atm(d136,d136_22,c,22,-0.119).
 2711atm(d136,d136_23,c,22,0.262).
 2712atm(d136,d136_24,h,3,0.142).
 2713atm(d136,d136_25,o,45,-0.638).
 2714atm(d136,d136_26,n,38,0.812).
 2715atm(d136,d136_27,o,40,-0.388).
 2716atm(d136,d136_28,o,40,-0.388).
 2717atm(d136,d136_29,h,8,0.412).
 2718
 2719bond(d136,d136_1,d136_2,7).
 2720bond(d136,d136_2,d136_3,7).
 2721bond(d136,d136_3,d136_4,7).
 2722bond(d136,d136_4,d136_5,7).
 2723bond(d136,d136_5,d136_6,7).
 2724bond(d136,d136_6,d136_1,7).
 2725bond(d136,d136_1,d136_7,1).
 2726bond(d136,d136_2,d136_8,1).
 2727bond(d136,d136_6,d136_9,1).
 2728bond(d136,d136_3,d136_10,7).
 2729bond(d136,d136_10,d136_11,7).
 2730bond(d136,d136_11,d136_12,7).
 2731bond(d136,d136_12,d136_13,7).
 2732bond(d136,d136_13,d136_4,7).
 2733bond(d136,d136_10,d136_14,1).
 2734bond(d136,d136_11,d136_15,1).
 2735bond(d136,d136_13,d136_16,7).
 2736bond(d136,d136_16,d136_17,7).
 2737bond(d136,d136_17,d136_18,7).
 2738bond(d136,d136_18,d136_5,7).
 2739bond(d136,d136_17,d136_19,1).
 2740bond(d136,d136_18,d136_20,1).
 2741bond(d136,d136_12,d136_21,7).
 2742bond(d136,d136_21,d136_22,7).
 2743bond(d136,d136_22,d136_23,7).
 2744bond(d136,d136_23,d136_16,7).
 2745bond(d136,d136_22,d136_24,1).
 2746bond(d136,d136_23,d136_25,1).
 2747bond(d136,d136_21,d136_26,1).
 2748bond(d136,d136_26,d136_27,2).
 2749bond(d136,d136_26,d136_28,2).
 2750bond(d136,d136_25,d136_29,1).
 2751atm(d137,d137_1,c,22,-0.118).
 2752atm(d137,d137_2,c,22,-0.118).
 2753atm(d137,d137_3,c,27,0.012).
 2754atm(d137,d137_4,c,27,-0.088).
 2755atm(d137,d137_5,c,28,0.012).
 2756atm(d137,d137_6,c,22,-0.118).
 2757atm(d137,d137_7,h,3,0.142).
 2758atm(d137,d137_8,h,3,0.142).
 2759atm(d137,d137_9,h,3,0.142).
 2760atm(d137,d137_10,c,22,-0.118).
 2761atm(d137,d137_11,c,22,-0.118).
 2762atm(d137,d137_12,c,22,-0.118).
 2763atm(d137,d137_13,c,29,0.012).
 2764atm(d137,d137_14,h,3,0.142).
 2765atm(d137,d137_15,c,28,0.012).
 2766atm(d137,d137_16,c,28,0.012).
 2767atm(d137,d137_17,c,22,-0.118).
 2768atm(d137,d137_18,c,22,-0.118).
 2769atm(d137,d137_19,c,22,-0.118).
 2770atm(d137,d137_20,c,22,-0.118).
 2771atm(d137,d137_21,h,3,0.142).
 2772atm(d137,d137_22,h,3,0.142).
 2773atm(d137,d137_23,h,3,0.142).
 2774atm(d137,d137_24,h,3,0.142).
 2775atm(d137,d137_25,n,38,0.812).
 2776atm(d137,d137_26,n,38,0.812).
 2777atm(d137,d137_27,o,40,-0.388).
 2778atm(d137,d137_28,o,40,-0.388).
 2779atm(d137,d137_29,o,40,-0.388).
 2780atm(d137,d137_30,o,40,-0.388).
 2781
 2782bond(d137,d137_1,d137_2,7).
 2783bond(d137,d137_2,d137_3,7).
 2784bond(d137,d137_3,d137_4,7).
 2785bond(d137,d137_4,d137_5,7).
 2786bond(d137,d137_5,d137_6,7).
 2787bond(d137,d137_6,d137_1,7).
 2788bond(d137,d137_1,d137_7,1).
 2789bond(d137,d137_2,d137_8,1).
 2790bond(d137,d137_6,d137_9,1).
 2791bond(d137,d137_3,d137_10,7).
 2792bond(d137,d137_10,d137_11,7).
 2793bond(d137,d137_11,d137_12,7).
 2794bond(d137,d137_12,d137_13,7).
 2795bond(d137,d137_13,d137_4,7).
 2796bond(d137,d137_12,d137_14,1).
 2797bond(d137,d137_15,d137_16,7).
 2798bond(d137,d137_16,d137_17,7).
 2799bond(d137,d137_17,d137_18,7).
 2800bond(d137,d137_18,d137_19,7).
 2801bond(d137,d137_19,d137_20,7).
 2802bond(d137,d137_20,d137_15,7).
 2803bond(d137,d137_17,d137_21,1).
 2804bond(d137,d137_18,d137_22,1).
 2805bond(d137,d137_19,d137_23,1).
 2806bond(d137,d137_20,d137_24,1).
 2807bond(d137,d137_15,d137_5,1).
 2808bond(d137,d137_16,d137_13,1).
 2809bond(d137,d137_11,d137_25,1).
 2810bond(d137,d137_10,d137_26,1).
 2811bond(d137,d137_25,d137_27,2).
 2812bond(d137,d137_25,d137_28,2).
 2813bond(d137,d137_26,d137_29,2).
 2814bond(d137,d137_26,d137_30,2).
 2815atm(d138,d138_1,c,22,-0.122).
 2816atm(d138,d138_2,c,22,-0.122).
 2817atm(d138,d138_3,c,26,0.307).
 2818atm(d138,d138_4,c,26,0.108).
 2819atm(d138,d138_5,c,22,-0.122).
 2820atm(d138,d138_6,c,22,-0.122).
 2821atm(d138,d138_7,n,34,-0.393).
 2822atm(d138,d138_8,n,34,-0.533).
 2823atm(d138,d138_9,c,21,-0.122).
 2824atm(d138,d138_10,c,10,0.098).
 2825atm(d138,d138_11,n,38,0.807).
 2826atm(d138,d138_12,o,40,-0.393).
 2827atm(d138,d138_13,o,40,-0.393).
 2828atm(d138,d138_14,h,3,0.137).
 2829atm(d138,d138_15,h,3,0.108).
 2830atm(d138,d138_16,h,3,0.138).
 2831atm(d138,d138_17,h,3,0.138).
 2832atm(d138,d138_18,h,3,0.058).
 2833atm(d138,d138_19,h,3,0.058).
 2834atm(d138,d138_20,h,3,0.058).
 2835atm(d138,d138_21,h,1,0.307).
 2836
 2837bond(d138,d138_1,d138_2,7).
 2838bond(d138,d138_2,d138_3,7).
 2839bond(d138,d138_3,d138_4,7).
 2840bond(d138,d138_4,d138_5,7).
 2841bond(d138,d138_5,d138_6,7).
 2842bond(d138,d138_6,d138_1,7).
 2843bond(d138,d138_3,d138_7,7).
 2844bond(d138,d138_7,d138_8,7).
 2845bond(d138,d138_4,d138_9,7).
 2846bond(d138,d138_9,d138_8,7).
 2847bond(d138,d138_8,d138_10,1).
 2848bond(d138,d138_1,d138_11,1).
 2849bond(d138,d138_11,d138_12,2).
 2850bond(d138,d138_11,d138_13,2).
 2851bond(d138,d138_2,d138_14,1).
 2852bond(d138,d138_5,d138_15,1).
 2853bond(d138,d138_6,d138_16,1).
 2854bond(d138,d138_9,d138_17,1).
 2855bond(d138,d138_10,d138_18,1).
 2856bond(d138,d138_10,d138_19,1).
 2857bond(d138,d138_10,d138_20,1).
 2858bond(d138,d138_7,d138_21,1).
 2859atm(d139,d139_1,c,22,-0.106).
 2860atm(d139,d139_2,c,22,-0.106).
 2861atm(d139,d139_3,c,22,-0.106).
 2862atm(d139,d139_4,c,22,-0.106).
 2863atm(d139,d139_5,c,22,0.224).
 2864atm(d139,d139_6,c,22,-0.106).
 2865atm(d139,d139_7,h,3,0.154).
 2866atm(d139,d139_8,h,3,0.154).
 2867atm(d139,d139_9,h,3,0.154).
 2868atm(d139,d139_10,n,32,-0.757).
 2869atm(d139,d139_11,h,1,0.354).
 2870atm(d139,d139_12,h,1,0.354).
 2871atm(d139,d139_13,n,38,0.823).
 2872atm(d139,d139_14,cl,93,-0.176).
 2873atm(d139,d139_15,o,40,-0.377).
 2874atm(d139,d139_16,o,40,-0.377).
 2875
 2876bond(d139,d139_1,d139_2,7).
 2877bond(d139,d139_2,d139_3,7).
 2878bond(d139,d139_3,d139_4,7).
 2879bond(d139,d139_4,d139_5,7).
 2880bond(d139,d139_5,d139_6,7).
 2881bond(d139,d139_6,d139_1,7).
 2882bond(d139,d139_1,d139_7,1).
 2883bond(d139,d139_3,d139_8,1).
 2884bond(d139,d139_6,d139_9,1).
 2885bond(d139,d139_5,d139_10,1).
 2886bond(d139,d139_10,d139_11,1).
 2887bond(d139,d139_10,d139_12,1).
 2888bond(d139,d139_4,d139_13,1).
 2889bond(d139,d139_2,d139_14,1).
 2890bond(d139,d139_13,d139_15,2).
 2891bond(d139,d139_13,d139_16,2).
 2892atm(d14,d14_1,c,22,-0.107).
 2893atm(d14,d14_2,c,22,-0.107).
 2894atm(d14,d14_3,c,26,0.323).
 2895atm(d14,d14_4,c,26,0.123).
 2896atm(d14,d14_5,c,22,-0.107).
 2897atm(d14,d14_6,c,22,-0.107).
 2898atm(d14,d14_7,c,21,-0.107).
 2899atm(d14,d14_8,n,34,-0.377).
 2900atm(d14,d14_9,n,34,-0.517).
 2901atm(d14,d14_10,c,10,0.113).
 2902atm(d14,d14_11,n,38,0.823).
 2903atm(d14,d14_12,o,40,-0.377).
 2904atm(d14,d14_13,o,40,-0.377).
 2905atm(d14,d14_14,h,3,0.153).
 2906atm(d14,d14_15,h,3,0.123).
 2907atm(d14,d14_16,h,3,0.153).
 2908atm(d14,d14_17,h,3,0.153).
 2909atm(d14,d14_18,h,3,0.073).
 2910atm(d14,d14_19,h,3,0.073).
 2911atm(d14,d14_20,h,3,0.073).
 2912
 2913bond(d14,d14_1,d14_2,7).
 2914bond(d14,d14_2,d14_3,7).
 2915bond(d14,d14_3,d14_4,7).
 2916bond(d14,d14_4,d14_5,7).
 2917bond(d14,d14_5,d14_6,7).
 2918bond(d14,d14_6,d14_1,7).
 2919bond(d14,d14_4,d14_7,7).
 2920bond(d14,d14_7,d14_8,7).
 2921bond(d14,d14_8,d14_9,7).
 2922bond(d14,d14_9,d14_3,7).
 2923bond(d14,d14_9,d14_10,1).
 2924bond(d14,d14_1,d14_11,1).
 2925bond(d14,d14_12,d14_11,2).
 2926bond(d14,d14_11,d14_13,2).
 2927bond(d14,d14_2,d14_14,1).
 2928bond(d14,d14_5,d14_15,1).
 2929bond(d14,d14_6,d14_16,1).
 2930bond(d14,d14_7,d14_17,1).
 2931bond(d14,d14_10,d14_18,1).
 2932bond(d14,d14_10,d14_19,1).
 2933bond(d14,d14_10,d14_20,1).
 2934atm(d140,d140_1,c,22,-0.118).
 2935atm(d140,d140_2,c,22,-0.118).
 2936atm(d140,d140_3,c,27,0.012).
 2937atm(d140,d140_4,c,27,0.012).
 2938atm(d140,d140_5,c,22,-0.118).
 2939atm(d140,d140_6,c,22,-0.118).
 2940atm(d140,d140_7,h,3,0.142).
 2941atm(d140,d140_8,h,3,0.142).
 2942atm(d140,d140_9,h,3,0.142).
 2943atm(d140,d140_10,c,22,-0.118).
 2944atm(d140,d140_11,c,22,-0.118).
 2945atm(d140,d140_12,c,22,-0.118).
 2946atm(d140,d140_13,c,22,-0.118).
 2947atm(d140,d140_14,h,3,0.142).
 2948atm(d140,d140_15,h,3,0.142).
 2949atm(d140,d140_16,h,3,0.142).
 2950atm(d140,d140_17,n,38,0.811).
 2951atm(d140,d140_18,n,38,0.811).
 2952atm(d140,d140_19,o,40,-0.389).
 2953atm(d140,d140_20,o,40,-0.389).
 2954atm(d140,d140_21,o,40,-0.388).
 2955atm(d140,d140_22,o,40,-0.388).
 2956
 2957bond(d140,d140_1,d140_2,7).
 2958bond(d140,d140_2,d140_3,7).
 2959bond(d140,d140_3,d140_4,7).
 2960bond(d140,d140_4,d140_5,7).
 2961bond(d140,d140_5,d140_6,7).
 2962bond(d140,d140_6,d140_1,7).
 2963bond(d140,d140_1,d140_7,1).
 2964bond(d140,d140_2,d140_8,1).
 2965bond(d140,d140_6,d140_9,1).
 2966bond(d140,d140_3,d140_10,7).
 2967bond(d140,d140_10,d140_11,7).
 2968bond(d140,d140_11,d140_12,7).
 2969bond(d140,d140_12,d140_13,7).
 2970bond(d140,d140_13,d140_4,7).
 2971bond(d140,d140_10,d140_14,1).
 2972bond(d140,d140_11,d140_15,1).
 2973bond(d140,d140_12,d140_16,1).
 2974bond(d140,d140_13,d140_17,1).
 2975bond(d140,d140_5,d140_18,1).
 2976bond(d140,d140_18,d140_19,2).
 2977bond(d140,d140_18,d140_20,2).
 2978bond(d140,d140_17,d140_21,2).
 2979bond(d140,d140_17,d140_22,2).
 2980atm(d141,d141_1,c,22,-0.074).
 2981atm(d141,d141_2,c,22,-0.074).
 2982atm(d141,d141_3,c,22,-0.074).
 2983atm(d141,d141_4,c,22,-0.074).
 2984atm(d141,d141_5,c,22,-0.074).
 2985atm(d141,d141_6,c,22,-0.074).
 2986atm(d141,d141_7,h,3,0.187).
 2987atm(d141,d141_8,h,3,0.187).
 2988atm(d141,d141_9,h,3,0.187).
 2989atm(d141,d141_10,n,38,0.857).
 2990atm(d141,d141_11,cl,93,-0.144).
 2991atm(d141,d141_12,cl,93,-0.144).
 2992atm(d141,d141_13,o,40,-0.343).
 2993atm(d141,d141_14,o,40,-0.343).
 2994
 2995bond(d141,d141_1,d141_2,7).
 2996bond(d141,d141_2,d141_3,7).
 2997bond(d141,d141_3,d141_4,7).
 2998bond(d141,d141_4,d141_5,7).
 2999bond(d141,d141_5,d141_6,7).
 3000bond(d141,d141_6,d141_1,7).
 3001bond(d141,d141_1,d141_7,1).
 3002bond(d141,d141_2,d141_8,1).
 3003bond(d141,d141_6,d141_9,1).
 3004bond(d141,d141_5,d141_10,1).
 3005bond(d141,d141_4,d141_11,1).
 3006bond(d141,d141_3,d141_12,1).
 3007bond(d141,d141_10,d141_13,2).
 3008bond(d141,d141_10,d141_14,2).
 3009atm(d142,d142_1,c,22,-0.094).
 3010atm(d142,d142_2,c,22,-0.094).
 3011atm(d142,d142_3,c,22,0.216).
 3012atm(d142,d142_4,c,22,0.216).
 3013atm(d142,d142_5,c,22,-0.094).
 3014atm(d142,d142_6,c,22,-0.094).
 3015atm(d142,d142_7,h,3,0.166).
 3016atm(d142,d142_8,h,3,0.166).
 3017atm(d142,d142_9,o,50,-0.194).
 3018atm(d142,d142_10,c,22,0.216).
 3019atm(d142,d142_11,c,22,0.215).
 3020atm(d142,d142_12,o,50,-0.194).
 3021atm(d142,d142_13,c,22,-0.094).
 3022atm(d142,d142_14,c,22,-0.094).
 3023atm(d142,d142_15,c,22,-0.094).
 3024atm(d142,d142_16,c,22,-0.094).
 3025atm(d142,d142_17,h,3,0.166).
 3026atm(d142,d142_18,h,3,0.166).
 3027atm(d142,d142_19,n,38,0.835).
 3028atm(d142,d142_20,o,40,-0.365).
 3029atm(d142,d142_21,o,40,-0.365).
 3030atm(d142,d142_22,cl,93,-0.164).
 3031atm(d142,d142_23,cl,93,-0.164).
 3032atm(d142,d142_24,cl,93,-0.164).
 3033
 3034bond(d142,d142_1,d142_2,7).
 3035bond(d142,d142_2,d142_3,7).
 3036bond(d142,d142_3,d142_4,7).
 3037bond(d142,d142_4,d142_5,7).
 3038bond(d142,d142_5,d142_6,7).
 3039bond(d142,d142_6,d142_1,7).
 3040bond(d142,d142_2,d142_7,1).
 3041bond(d142,d142_5,d142_8,1).
 3042bond(d142,d142_3,d142_9,1).
 3043bond(d142,d142_9,d142_10,1).
 3044bond(d142,d142_10,d142_11,7).
 3045bond(d142,d142_11,d142_12,1).
 3046bond(d142,d142_12,d142_4,1).
 3047bond(d142,d142_10,d142_13,7).
 3048bond(d142,d142_13,d142_14,7).
 3049bond(d142,d142_14,d142_15,7).
 3050bond(d142,d142_15,d142_16,7).
 3051bond(d142,d142_16,d142_11,7).
 3052bond(d142,d142_13,d142_17,1).
 3053bond(d142,d142_16,d142_18,1).
 3054bond(d142,d142_6,d142_19,1).
 3055bond(d142,d142_19,d142_20,2).
 3056bond(d142,d142_19,d142_21,2).
 3057bond(d142,d142_15,d142_22,1).
 3058bond(d142,d142_14,d142_23,1).
 3059bond(d142,d142_1,d142_24,1).
 3060atm(d143,d143_1,c,22,-0.13).
 3061atm(d143,d143_2,c,22,-0.13).
 3062atm(d143,d143_3,c,22,-0.13).
 3063atm(d143,d143_4,c,22,-0.13).
 3064atm(d143,d143_5,c,22,0.18).
 3065atm(d143,d143_6,c,22,-0.13).
 3066atm(d143,d143_7,h,3,0.13).
 3067atm(d143,d143_8,h,3,0.13).
 3068atm(d143,d143_9,h,3,0.13).
 3069atm(d143,d143_10,h,3,0.13).
 3070atm(d143,d143_11,o,50,-0.23).
 3071atm(d143,d143_12,c,22,0.18).
 3072atm(d143,d143_13,c,22,-0.13).
 3073atm(d143,d143_14,c,22,-0.13).
 3074atm(d143,d143_15,c,22,-0.13).
 3075atm(d143,d143_16,c,22,-0.13).
 3076atm(d143,d143_17,c,22,-0.13).
 3077atm(d143,d143_18,h,3,0.13).
 3078atm(d143,d143_19,h,3,0.13).
 3079atm(d143,d143_20,h,3,0.13).
 3080atm(d143,d143_21,h,3,0.13).
 3081atm(d143,d143_22,h,3,0.13).
 3082atm(d143,d143_23,n,38,0.8).
 3083atm(d143,d143_24,o,40,-0.4).
 3084atm(d143,d143_25,o,40,-0.4).
 3085
 3086bond(d143,d143_1,d143_2,7).
 3087bond(d143,d143_2,d143_3,7).
 3088bond(d143,d143_3,d143_4,7).
 3089bond(d143,d143_4,d143_5,7).
 3090bond(d143,d143_5,d143_6,7).
 3091bond(d143,d143_6,d143_1,7).
 3092bond(d143,d143_1,d143_7,1).
 3093bond(d143,d143_2,d143_8,1).
 3094bond(d143,d143_3,d143_9,1).
 3095bond(d143,d143_6,d143_10,1).
 3096bond(d143,d143_5,d143_11,1).
 3097bond(d143,d143_11,d143_12,1).
 3098bond(d143,d143_12,d143_13,7).
 3099bond(d143,d143_13,d143_14,7).
 3100bond(d143,d143_14,d143_15,7).
 3101bond(d143,d143_15,d143_16,7).
 3102bond(d143,d143_16,d143_17,7).
 3103bond(d143,d143_17,d143_12,7).
 3104bond(d143,d143_13,d143_18,1).
 3105bond(d143,d143_14,d143_19,1).
 3106bond(d143,d143_15,d143_20,1).
 3107bond(d143,d143_16,d143_21,1).
 3108bond(d143,d143_17,d143_22,1).
 3109bond(d143,d143_4,d143_23,1).
 3110bond(d143,d143_23,d143_24,2).
 3111bond(d143,d143_23,d143_25,2).
 3112atm(d144,d144_1,c,22,-0.074).
 3113atm(d144,d144_2,c,22,-0.074).
 3114atm(d144,d144_3,c,22,-0.074).
 3115atm(d144,d144_4,c,22,-0.074).
 3116atm(d144,d144_5,c,22,-0.074).
 3117atm(d144,d144_6,c,22,-0.074).
 3118atm(d144,d144_7,h,3,0.187).
 3119atm(d144,d144_8,h,3,0.187).
 3120atm(d144,d144_9,h,3,0.187).
 3121atm(d144,d144_10,n,38,0.857).
 3122atm(d144,d144_11,cl,93,-0.144).
 3123atm(d144,d144_12,cl,93,-0.144).
 3124atm(d144,d144_13,o,40,-0.343).
 3125atm(d144,d144_14,o,40,-0.343).
 3126
 3127bond(d144,d144_1,d144_2,7).
 3128bond(d144,d144_2,d144_3,7).
 3129bond(d144,d144_3,d144_4,7).
 3130bond(d144,d144_4,d144_5,7).
 3131bond(d144,d144_5,d144_6,7).
 3132bond(d144,d144_6,d144_1,7).
 3133bond(d144,d144_2,d144_7,1).
 3134bond(d144,d144_3,d144_8,1).
 3135bond(d144,d144_6,d144_9,1).
 3136bond(d144,d144_5,d144_10,1).
 3137bond(d144,d144_4,d144_11,1).
 3138bond(d144,d144_1,d144_12,1).
 3139bond(d144,d144_10,d144_13,2).
 3140bond(d144,d144_10,d144_14,2).
 3141atm(d145,d145_1,c,22,-0.128).
 3142atm(d145,d145_2,c,22,-0.128).
 3143atm(d145,d145_3,c,22,-0.128).
 3144atm(d145,d145_4,c,29,0.002).
 3145atm(d145,d145_5,c,22,-0.128).
 3146atm(d145,d145_6,c,22,-0.128).
 3147atm(d145,d145_7,h,3,0.132).
 3148atm(d145,d145_8,h,3,0.132).
 3149atm(d145,d145_9,h,3,0.132).
 3150atm(d145,d145_10,h,3,0.132).
 3151atm(d145,d145_11,c,29,0.002).
 3152atm(d145,d145_12,c,22,-0.128).
 3153atm(d145,d145_13,c,22,-0.128).
 3154atm(d145,d145_14,c,22,-0.128).
 3155atm(d145,d145_15,c,22,0.202).
 3156atm(d145,d145_16,c,22,-0.128).
 3157atm(d145,d145_17,h,3,0.132).
 3158atm(d145,d145_18,h,3,0.132).
 3159atm(d145,d145_19,h,3,0.132).
 3160atm(d145,d145_20,h,3,0.132).
 3161atm(d145,d145_21,n,32,-0.779).
 3162atm(d145,d145_22,n,38,0.801).
 3163atm(d145,d145_23,o,40,-0.398).
 3164atm(d145,d145_24,o,40,-0.398).
 3165atm(d145,d145_25,h,1,0.332).
 3166atm(d145,d145_26,h,1,0.332).
 3167
 3168bond(d145,d145_1,d145_2,7).
 3169bond(d145,d145_2,d145_3,7).
 3170bond(d145,d145_3,d145_4,7).
 3171bond(d145,d145_4,d145_5,7).
 3172bond(d145,d145_5,d145_6,7).
 3173bond(d145,d145_6,d145_1,7).
 3174bond(d145,d145_2,d145_7,1).
 3175bond(d145,d145_3,d145_8,1).
 3176bond(d145,d145_5,d145_9,1).
 3177bond(d145,d145_6,d145_10,1).
 3178bond(d145,d145_11,d145_12,7).
 3179bond(d145,d145_12,d145_13,7).
 3180bond(d145,d145_13,d145_14,7).
 3181bond(d145,d145_14,d145_15,7).
 3182bond(d145,d145_15,d145_16,7).
 3183bond(d145,d145_16,d145_11,7).
 3184bond(d145,d145_12,d145_17,1).
 3185bond(d145,d145_13,d145_18,1).
 3186bond(d145,d145_14,d145_19,1).
 3187bond(d145,d145_16,d145_20,1).
 3188bond(d145,d145_4,d145_11,1).
 3189bond(d145,d145_15,d145_21,1).
 3190bond(d145,d145_1,d145_22,1).
 3191bond(d145,d145_22,d145_23,2).
 3192bond(d145,d145_22,d145_24,2).
 3193bond(d145,d145_21,d145_25,1).
 3194bond(d145,d145_21,d145_26,1).
 3195atm(d146,d146_1,c,22,-0.128).
 3196atm(d146,d146_2,c,22,-0.128).
 3197atm(d146,d146_3,c,22,-0.128).
 3198atm(d146,d146_4,c,29,0.002).
 3199atm(d146,d146_5,c,22,-0.128).
 3200atm(d146,d146_6,c,22,-0.128).
 3201atm(d146,d146_7,h,3,0.132).
 3202atm(d146,d146_8,h,3,0.132).
 3203atm(d146,d146_9,h,3,0.132).
 3204atm(d146,d146_10,h,3,0.132).
 3205atm(d146,d146_11,c,29,0.002).
 3206atm(d146,d146_12,c,22,-0.128).
 3207atm(d146,d146_13,c,22,-0.128).
 3208atm(d146,d146_14,c,22,0.202).
 3209atm(d146,d146_15,c,22,-0.128).
 3210atm(d146,d146_16,c,22,-0.128).
 3211atm(d146,d146_17,h,3,0.132).
 3212atm(d146,d146_18,h,3,0.132).
 3213atm(d146,d146_19,h,3,0.132).
 3214atm(d146,d146_20,n,38,0.801).
 3215atm(d146,d146_21,o,40,-0.398).
 3216atm(d146,d146_22,o,40,-0.398).
 3217atm(d146,d146_23,h,3,0.132).
 3218atm(d146,d146_24,n,32,-0.779).
 3219atm(d146,d146_25,h,1,0.332).
 3220atm(d146,d146_26,h,1,0.332).
 3221
 3222bond(d146,d146_1,d146_2,7).
 3223bond(d146,d146_2,d146_3,7).
 3224bond(d146,d146_3,d146_4,7).
 3225bond(d146,d146_4,d146_5,7).
 3226bond(d146,d146_5,d146_6,7).
 3227bond(d146,d146_6,d146_1,7).
 3228bond(d146,d146_2,d146_7,1).
 3229bond(d146,d146_3,d146_8,1).
 3230bond(d146,d146_5,d146_9,1).
 3231bond(d146,d146_6,d146_10,1).
 3232bond(d146,d146_11,d146_12,7).
 3233bond(d146,d146_12,d146_13,7).
 3234bond(d146,d146_13,d146_14,7).
 3235bond(d146,d146_14,d146_15,7).
 3236bond(d146,d146_15,d146_16,7).
 3237bond(d146,d146_16,d146_11,7).
 3238bond(d146,d146_12,d146_17,1).
 3239bond(d146,d146_13,d146_18,1).
 3240bond(d146,d146_16,d146_19,1).
 3241bond(d146,d146_4,d146_11,1).
 3242bond(d146,d146_1,d146_20,1).
 3243bond(d146,d146_20,d146_21,2).
 3244bond(d146,d146_20,d146_22,2).
 3245bond(d146,d146_15,d146_23,1).
 3246bond(d146,d146_14,d146_24,1).
 3247bond(d146,d146_24,d146_25,1).
 3248bond(d146,d146_24,d146_26,1).
 3249atm(d147,d147_1,c,22,-0.068).
 3250atm(d147,d147_2,c,22,-0.068).
 3251atm(d147,d147_3,c,26,-0.038).
 3252atm(d147,d147_4,c,26,-0.038).
 3253atm(d147,d147_5,c,22,-0.068).
 3254atm(d147,d147_6,c,22,-0.068).
 3255atm(d147,d147_7,n,34,-0.479).
 3256atm(d147,d147_8,c,21,0.062).
 3257atm(d147,d147_9,n,34,-0.479).
 3258atm(d147,d147_10,c,10,0.152).
 3259atm(d147,d147_11,n,38,0.861).
 3260atm(d147,d147_12,o,40,-0.339).
 3261atm(d147,d147_13,o,40,-0.339).
 3262atm(d147,d147_14,h,3,0.191).
 3263atm(d147,d147_15,h,3,0.191).
 3264atm(d147,d147_16,h,3,0.191).
 3265atm(d147,d147_17,h,3,0.112).
 3266atm(d147,d147_18,h,3,0.112).
 3267atm(d147,d147_19,h,3,0.112).
 3268
 3269bond(d147,d147_1,d147_2,7).
 3270bond(d147,d147_2,d147_3,7).
 3271bond(d147,d147_3,d147_4,7).
 3272bond(d147,d147_4,d147_5,7).
 3273bond(d147,d147_5,d147_6,7).
 3274bond(d147,d147_6,d147_1,7).
 3275bond(d147,d147_3,d147_7,7).
 3276bond(d147,d147_7,d147_8,7).
 3277bond(d147,d147_4,d147_9,7).
 3278bond(d147,d147_9,d147_8,7).
 3279bond(d147,d147_8,d147_10,1).
 3280bond(d147,d147_6,d147_11,1).
 3281bond(d147,d147_11,d147_12,2).
 3282bond(d147,d147_11,d147_13,2).
 3283bond(d147,d147_1,d147_14,1).
 3284bond(d147,d147_2,d147_15,1).
 3285bond(d147,d147_5,d147_16,1).
 3286bond(d147,d147_10,d147_17,1).
 3287bond(d147,d147_10,d147_18,1).
 3288bond(d147,d147_10,d147_19,1).
 3289atm(d148,d148_1,c,22,-0.11).
 3290atm(d148,d148_2,c,22,-0.11).
 3291atm(d148,d148_3,c,27,0.02).
 3292atm(d148,d148_4,c,27,-0.08).
 3293atm(d148,d148_5,c,26,-0.08).
 3294atm(d148,d148_6,c,22,-0.11).
 3295atm(d148,d148_7,c,22,-0.11).
 3296atm(d148,d148_8,c,22,-0.11).
 3297atm(d148,d148_9,c,22,-0.11).
 3298atm(d148,d148_10,c,26,-0.08).
 3299atm(d148,d148_11,c,21,-0.08).
 3300atm(d148,d148_12,c,21,-0.08).
 3301atm(d148,d148_13,h,3,0.149).
 3302atm(d148,d148_14,h,3,0.149).
 3303atm(d148,d148_15,h,3,0.149).
 3304atm(d148,d148_16,h,3,0.149).
 3305atm(d148,d148_17,h,3,0.149).
 3306atm(d148,d148_18,h,3,0.119).
 3307atm(d148,d148_19,h,3,0.119).
 3308atm(d148,d148_20,n,38,0.819).
 3309atm(d148,d148_21,o,40,-0.381).
 3310atm(d148,d148_22,o,40,-0.381).
 3311
 3312bond(d148,d148_1,d148_2,7).
 3313bond(d148,d148_2,d148_3,7).
 3314bond(d148,d148_3,d148_4,7).
 3315bond(d148,d148_4,d148_5,7).
 3316bond(d148,d148_5,d148_6,7).
 3317bond(d148,d148_6,d148_1,7).
 3318bond(d148,d148_3,d148_7,7).
 3319bond(d148,d148_7,d148_8,7).
 3320bond(d148,d148_8,d148_9,7).
 3321bond(d148,d148_9,d148_10,7).
 3322bond(d148,d148_10,d148_4,7).
 3323bond(d148,d148_5,d148_11,7).
 3324bond(d148,d148_10,d148_12,7).
 3325bond(d148,d148_11,d148_12,7).
 3326bond(d148,d148_1,d148_13,1).
 3327bond(d148,d148_2,d148_14,1).
 3328bond(d148,d148_6,d148_15,1).
 3329bond(d148,d148_7,d148_16,1).
 3330bond(d148,d148_8,d148_17,1).
 3331bond(d148,d148_11,d148_18,1).
 3332bond(d148,d148_12,d148_19,1).
 3333bond(d148,d148_9,d148_20,1).
 3334bond(d148,d148_20,d148_21,2).
 3335bond(d148,d148_20,d148_22,2).
 3336atm(d149,d149_1,c,22,-0.142).
 3337atm(d149,d149_2,c,22,-0.142).
 3338atm(d149,d149_3,c,22,0.188).
 3339atm(d149,d149_4,c,22,0.188).
 3340atm(d149,d149_5,c,22,-0.142).
 3341atm(d149,d149_6,c,22,-0.142).
 3342atm(d149,d149_7,h,3,0.118).
 3343atm(d149,d149_8,h,3,0.118).
 3344atm(d149,d149_9,h,3,0.118).
 3345atm(d149,d149_10,n,32,-0.412).
 3346atm(d149,d149_11,c,22,0.188).
 3347atm(d149,d149_12,c,22,0.188).
 3348atm(d149,d149_13,n,32,-0.412).
 3349atm(d149,d149_14,c,22,-0.142).
 3350atm(d149,d149_15,c,22,-0.142).
 3351atm(d149,d149_16,c,22,-0.142).
 3352atm(d149,d149_17,c,22,-0.142).
 3353atm(d149,d149_18,h,3,0.118).
 3354atm(d149,d149_19,h,3,0.118).
 3355atm(d149,d149_20,h,3,0.118).
 3356atm(d149,d149_21,h,1,0.288).
 3357atm(d149,d149_22,h,1,0.288).
 3358atm(d149,d149_23,n,38,0.787).
 3359atm(d149,d149_24,n,38,0.787).
 3360atm(d149,d149_25,o,40,-0.413).
 3361atm(d149,d149_26,o,40,-0.413).
 3362atm(d149,d149_27,o,40,-0.412).
 3363atm(d149,d149_28,o,40,-0.412).
 3364
 3365bond(d149,d149_1,d149_2,7).
 3366bond(d149,d149_2,d149_3,7).
 3367bond(d149,d149_3,d149_4,7).
 3368bond(d149,d149_4,d149_5,7).
 3369bond(d149,d149_5,d149_6,7).
 3370bond(d149,d149_6,d149_1,7).
 3371bond(d149,d149_2,d149_7,1).
 3372bond(d149,d149_5,d149_8,1).
 3373bond(d149,d149_6,d149_9,1).
 3374bond(d149,d149_3,d149_10,1).
 3375bond(d149,d149_10,d149_11,1).
 3376bond(d149,d149_11,d149_12,7).
 3377bond(d149,d149_12,d149_13,1).
 3378bond(d149,d149_13,d149_4,1).
 3379bond(d149,d149_11,d149_14,7).
 3380bond(d149,d149_14,d149_15,7).
 3381bond(d149,d149_15,d149_16,7).
 3382bond(d149,d149_16,d149_17,7).
 3383bond(d149,d149_17,d149_12,7).
 3384bond(d149,d149_14,d149_18,1).
 3385bond(d149,d149_15,d149_19,1).
 3386bond(d149,d149_17,d149_20,1).
 3387bond(d149,d149_13,d149_21,1).
 3388bond(d149,d149_10,d149_22,1).
 3389bond(d149,d149_16,d149_23,1).
 3390bond(d149,d149_1,d149_24,1).
 3391bond(d149,d149_23,d149_25,2).
 3392bond(d149,d149_23,d149_26,2).
 3393bond(d149,d149_24,d149_27,2).
 3394bond(d149,d149_24,d149_28,2).
 3395atm(d15,d15_1,c,22,-0.118).
 3396atm(d15,d15_2,c,22,-0.118).
 3397atm(d15,d15_3,c,27,0.012).
 3398atm(d15,d15_4,c,27,-0.088).
 3399atm(d15,d15_5,c,27,0.012).
 3400atm(d15,d15_6,c,22,-0.118).
 3401atm(d15,d15_7,h,3,0.141).
 3402atm(d15,d15_8,h,3,0.142).
 3403atm(d15,d15_9,h,3,0.142).
 3404atm(d15,d15_10,c,27,-0.088).
 3405atm(d15,d15_11,c,27,0.012).
 3406atm(d15,d15_12,c,22,-0.118).
 3407atm(d15,d15_13,c,22,-0.118).
 3408atm(d15,d15_14,h,3,0.141).
 3409atm(d15,d15_15,h,3,0.142).
 3410atm(d15,d15_16,c,22,-0.118).
 3411atm(d15,d15_17,c,22,-0.118).
 3412atm(d15,d15_18,c,27,0.012).
 3413atm(d15,d15_19,h,3,0.141).
 3414atm(d15,d15_20,h,3,0.142).
 3415atm(d15,d15_21,c,22,-0.118).
 3416atm(d15,d15_22,c,22,-0.118).
 3417atm(d15,d15_23,c,22,-0.118).
 3418atm(d15,d15_24,h,3,0.142).
 3419atm(d15,d15_25,h,3,0.142).
 3420atm(d15,d15_26,n,38,0.811).
 3421atm(d15,d15_27,o,40,-0.389).
 3422atm(d15,d15_28,o,40,-0.389).
 3423
 3424bond(d15,d15_1,d15_2,7).
 3425bond(d15,d15_2,d15_3,7).
 3426bond(d15,d15_3,d15_4,7).
 3427bond(d15,d15_4,d15_5,7).
 3428bond(d15,d15_5,d15_6,7).
 3429bond(d15,d15_6,d15_1,7).
 3430bond(d15,d15_1,d15_7,1).
 3431bond(d15,d15_2,d15_8,1).
 3432bond(d15,d15_6,d15_9,1).
 3433bond(d15,d15_4,d15_10,7).
 3434bond(d15,d15_10,d15_11,7).
 3435bond(d15,d15_11,d15_12,7).
 3436bond(d15,d15_12,d15_13,7).
 3437bond(d15,d15_13,d15_5,7).
 3438bond(d15,d15_12,d15_14,1).
 3439bond(d15,d15_13,d15_15,1).
 3440bond(d15,d15_3,d15_16,7).
 3441bond(d15,d15_16,d15_17,7).
 3442bond(d15,d15_17,d15_18,7).
 3443bond(d15,d15_18,d15_10,7).
 3444bond(d15,d15_16,d15_19,1).
 3445bond(d15,d15_17,d15_20,1).
 3446bond(d15,d15_18,d15_21,7).
 3447bond(d15,d15_21,d15_22,7).
 3448bond(d15,d15_22,d15_23,7).
 3449bond(d15,d15_23,d15_11,7).
 3450bond(d15,d15_21,d15_24,1).
 3451bond(d15,d15_22,d15_25,1).
 3452bond(d15,d15_26,d15_23,1).
 3453bond(d15,d15_26,d15_27,2).
 3454bond(d15,d15_26,d15_28,2).
 3455atm(d150,d150_1,c,21,0.03).
 3456atm(d150,d150_2,c,21,0.03).
 3457atm(d150,d150_3,n,34,-0.509).
 3458atm(d150,d150_4,c,21,0.03).
 3459atm(d150,d150_5,n,34,-0.509).
 3460atm(d150,d150_6,n,38,0.831).
 3461atm(d150,d150_7,o,40,-0.369).
 3462atm(d150,d150_8,o,40,-0.369).
 3463atm(d150,d150_9,c,10,0.03).
 3464atm(d150,d150_10,c,10,0.201).
 3465atm(d150,d150_11,o,45,-0.619).
 3466atm(d150,d150_12,c,10,0.121).
 3467atm(d150,d150_13,h,3,0.131).
 3468atm(d150,d150_14,h,3,0.08).
 3469atm(d150,d150_15,h,3,0.08).
 3470atm(d150,d150_16,h,3,0.07).
 3471atm(d150,d150_17,h,3,0.07).
 3472atm(d150,d150_18,h,8,0.431).
 3473atm(d150,d150_19,h,3,0.08).
 3474atm(d150,d150_20,h,3,0.08).
 3475atm(d150,d150_21,h,3,0.08).
 3476
 3477bond(d150,d150_1,d150_2,7).
 3478bond(d150,d150_2,d150_3,7).
 3479bond(d150,d150_3,d150_4,7).
 3480bond(d150,d150_4,d150_5,7).
 3481bond(d150,d150_5,d150_1,7).
 3482bond(d150,d150_1,d150_6,1).
 3483bond(d150,d150_6,d150_7,2).
 3484bond(d150,d150_6,d150_8,2).
 3485bond(d150,d150_5,d150_9,1).
 3486bond(d150,d150_9,d150_10,1).
 3487bond(d150,d150_10,d150_11,1).
 3488bond(d150,d150_4,d150_12,1).
 3489bond(d150,d150_2,d150_13,1).
 3490bond(d150,d150_9,d150_14,1).
 3491bond(d150,d150_9,d150_15,1).
 3492bond(d150,d150_10,d150_16,1).
 3493bond(d150,d150_10,d150_17,1).
 3494bond(d150,d150_11,d150_18,1).
 3495bond(d150,d150_12,d150_19,1).
 3496bond(d150,d150_12,d150_20,1).
 3497bond(d150,d150_12,d150_21,1).
 3498atm(d151,d151_1,c,22,-0.115).
 3499atm(d151,d151_2,c,22,-0.115).
 3500atm(d151,d151_3,c,26,0.315).
 3501atm(d151,d151_4,c,26,0.115).
 3502atm(d151,d151_5,c,22,-0.115).
 3503atm(d151,d151_6,c,22,-0.115).
 3504atm(d151,d151_7,n,34,-0.384).
 3505atm(d151,d151_8,n,34,-0.384).
 3506atm(d151,d151_9,c,21,-0.115).
 3507atm(d151,d151_10,n,38,0.816).
 3508atm(d151,d151_11,o,40,-0.384).
 3509atm(d151,d151_12,o,40,-0.384).
 3510atm(d151,d151_13,h,3,0.145).
 3511atm(d151,d151_14,h,3,0.115).
 3512atm(d151,d151_15,h,3,0.145).
 3513atm(d151,d151_16,h,3,0.145).
 3514atm(d151,d151_17,h,1,0.315).
 3515
 3516bond(d151,d151_1,d151_2,7).
 3517bond(d151,d151_2,d151_3,7).
 3518bond(d151,d151_3,d151_4,7).
 3519bond(d151,d151_4,d151_5,7).
 3520bond(d151,d151_5,d151_6,7).
 3521bond(d151,d151_6,d151_1,7).
 3522bond(d151,d151_3,d151_7,7).
 3523bond(d151,d151_7,d151_8,7).
 3524bond(d151,d151_4,d151_9,7).
 3525bond(d151,d151_9,d151_8,7).
 3526bond(d151,d151_2,d151_10,1).
 3527bond(d151,d151_10,d151_11,2).
 3528bond(d151,d151_10,d151_12,2).
 3529bond(d151,d151_1,d151_13,1).
 3530bond(d151,d151_5,d151_14,1).
 3531bond(d151,d151_6,d151_15,1).
 3532bond(d151,d151_9,d151_16,1).
 3533bond(d151,d151_7,d151_17,1).
 3534atm(d152,d152_1,c,22,-0.118).
 3535atm(d152,d152_2,c,22,-0.118).
 3536atm(d152,d152_3,c,27,0.012).
 3537atm(d152,d152_4,c,27,-0.088).
 3538atm(d152,d152_5,c,28,0.012).
 3539atm(d152,d152_6,c,22,-0.118).
 3540atm(d152,d152_7,h,3,0.142).
 3541atm(d152,d152_8,h,3,0.142).
 3542atm(d152,d152_9,c,22,-0.118).
 3543atm(d152,d152_10,c,22,-0.118).
 3544atm(d152,d152_11,c,22,-0.118).
 3545atm(d152,d152_12,c,29,0.012).
 3546atm(d152,d152_13,h,3,0.142).
 3547atm(d152,d152_14,h,3,0.142).
 3548atm(d152,d152_15,c,28,0.012).
 3549atm(d152,d152_16,c,28,0.012).
 3550atm(d152,d152_17,c,22,-0.118).
 3551atm(d152,d152_18,c,22,-0.118).
 3552atm(d152,d152_19,c,22,-0.118).
 3553atm(d152,d152_20,c,22,-0.118).
 3554atm(d152,d152_21,h,3,0.142).
 3555atm(d152,d152_22,h,3,0.142).
 3556atm(d152,d152_23,h,3,0.142).
 3557atm(d152,d152_24,h,3,0.142).
 3558atm(d152,d152_25,n,38,0.812).
 3559atm(d152,d152_26,n,38,0.812).
 3560atm(d152,d152_27,o,40,-0.388).
 3561atm(d152,d152_28,o,40,-0.388).
 3562atm(d152,d152_29,o,40,-0.388).
 3563atm(d152,d152_30,o,40,-0.388).
 3564
 3565bond(d152,d152_1,d152_2,7).
 3566bond(d152,d152_2,d152_3,7).
 3567bond(d152,d152_3,d152_4,7).
 3568bond(d152,d152_4,d152_5,7).
 3569bond(d152,d152_5,d152_6,7).
 3570bond(d152,d152_6,d152_1,7).
 3571bond(d152,d152_2,d152_7,1).
 3572bond(d152,d152_6,d152_8,1).
 3573bond(d152,d152_3,d152_9,7).
 3574bond(d152,d152_9,d152_10,7).
 3575bond(d152,d152_10,d152_11,7).
 3576bond(d152,d152_11,d152_12,7).
 3577bond(d152,d152_12,d152_4,7).
 3578bond(d152,d152_9,d152_13,1).
 3579bond(d152,d152_11,d152_14,1).
 3580bond(d152,d152_15,d152_16,7).
 3581bond(d152,d152_16,d152_17,7).
 3582bond(d152,d152_17,d152_18,7).
 3583bond(d152,d152_18,d152_19,7).
 3584bond(d152,d152_19,d152_20,7).
 3585bond(d152,d152_20,d152_15,7).
 3586bond(d152,d152_17,d152_21,1).
 3587bond(d152,d152_18,d152_22,1).
 3588bond(d152,d152_19,d152_23,1).
 3589bond(d152,d152_20,d152_24,1).
 3590bond(d152,d152_15,d152_5,1).
 3591bond(d152,d152_16,d152_12,1).
 3592bond(d152,d152_10,d152_25,1).
 3593bond(d152,d152_1,d152_26,1).
 3594bond(d152,d152_26,d152_27,2).
 3595bond(d152,d152_26,d152_28,2).
 3596bond(d152,d152_25,d152_29,2).
 3597bond(d152,d152_25,d152_30,2).
 3598atm(d153,d153_1,c,22,-0.125).
 3599atm(d153,d153_2,c,22,-0.125).
 3600atm(d153,d153_3,c,27,0.005).
 3601atm(d153,d153_4,c,27,0.005).
 3602atm(d153,d153_5,c,22,0.005).
 3603atm(d153,d153_6,c,22,-0.124).
 3604atm(d153,d153_7,h,3,0.136).
 3605atm(d153,d153_8,h,3,0.136).
 3606atm(d153,d153_9,h,3,0.136).
 3607atm(d153,d153_10,c,22,-0.125).
 3608atm(d153,d153_11,c,22,-0.124).
 3609atm(d153,d153_12,c,22,-0.125).
 3610atm(d153,d153_13,c,22,0.005).
 3611atm(d153,d153_14,h,3,0.136).
 3612atm(d153,d153_15,h,3,0.136).
 3613atm(d153,d153_16,c,10,-0.095).
 3614atm(d153,d153_17,c,10,-0.095).
 3615atm(d153,d153_18,h,3,0.055).
 3616atm(d153,d153_19,h,3,0.055).
 3617atm(d153,d153_20,h,3,0.055).
 3618atm(d153,d153_21,h,3,0.055).
 3619atm(d153,d153_22,n,38,0.806).
 3620atm(d153,d153_23,o,40,-0.394).
 3621atm(d153,d153_24,o,40,-0.394).
 3622
 3623bond(d153,d153_1,d153_2,7).
 3624bond(d153,d153_2,d153_3,7).
 3625bond(d153,d153_3,d153_4,7).
 3626bond(d153,d153_4,d153_5,7).
 3627bond(d153,d153_5,d153_6,7).
 3628bond(d153,d153_6,d153_1,7).
 3629bond(d153,d153_1,d153_7,1).
 3630bond(d153,d153_2,d153_8,1).
 3631bond(d153,d153_6,d153_9,1).
 3632bond(d153,d153_3,d153_10,7).
 3633bond(d153,d153_10,d153_11,7).
 3634bond(d153,d153_11,d153_12,7).
 3635bond(d153,d153_12,d153_13,7).
 3636bond(d153,d153_13,d153_4,7).
 3637bond(d153,d153_11,d153_14,1).
 3638bond(d153,d153_12,d153_15,1).
 3639bond(d153,d153_5,d153_16,1).
 3640bond(d153,d153_13,d153_17,1).
 3641bond(d153,d153_16,d153_17,1).
 3642bond(d153,d153_16,d153_18,1).
 3643bond(d153,d153_16,d153_19,1).
 3644bond(d153,d153_17,d153_20,1).
 3645bond(d153,d153_17,d153_21,1).
 3646bond(d153,d153_10,d153_22,1).
 3647bond(d153,d153_22,d153_23,2).
 3648bond(d153,d153_22,d153_24,2).
 3649atm(d154,d154_1,c,22,-0.088).
 3650atm(d154,d154_2,c,22,-0.088).
 3651atm(d154,d154_3,c,26,0.002).
 3652atm(d154,d154_4,c,26,-0.058).
 3653atm(d154,d154_5,c,22,-0.088).
 3654atm(d154,d154_6,c,22,-0.088).
 3655atm(d154,d154_7,n,34,-0.497).
 3656atm(d154,d154_8,c,21,0.042).
 3657atm(d154,d154_9,n,34,-0.497).
 3658atm(d154,d154_10,n,38,0.843).
 3659atm(d154,d154_11,o,40,-0.357).
 3660atm(d154,d154_12,o,40,-0.357).
 3661atm(d154,d154_13,h,3,0.172).
 3662atm(d154,d154_14,h,3,0.172).
 3663atm(d154,d154_15,h,3,0.172).
 3664atm(d154,d154_16,h,3,0.172).
 3665atm(d154,d154_17,h,1,0.543).
 3666
 3667bond(d154,d154_1,d154_2,7).
 3668bond(d154,d154_2,d154_3,7).
 3669bond(d154,d154_3,d154_4,7).
 3670bond(d154,d154_4,d154_5,7).
 3671bond(d154,d154_5,d154_6,7).
 3672bond(d154,d154_6,d154_1,7).
 3673bond(d154,d154_3,d154_7,7).
 3674bond(d154,d154_7,d154_8,7).
 3675bond(d154,d154_4,d154_9,7).
 3676bond(d154,d154_9,d154_8,7).
 3677bond(d154,d154_8,d154_10,1).
 3678bond(d154,d154_10,d154_11,2).
 3679bond(d154,d154_10,d154_12,2).
 3680bond(d154,d154_1,d154_13,1).
 3681bond(d154,d154_2,d154_14,1).
 3682bond(d154,d154_5,d154_15,1).
 3683bond(d154,d154_6,d154_16,1).
 3684bond(d154,d154_7,d154_17,1).
 3685atm(d155,d155_1,c,22,-0.126).
 3686atm(d155,d155_2,c,22,-0.126).
 3687atm(d155,d155_3,c,22,-0.126).
 3688atm(d155,d155_4,c,22,-0.126).
 3689atm(d155,d155_5,c,22,0.184).
 3690atm(d155,d155_6,c,22,-0.126).
 3691atm(d155,d155_7,h,3,0.133).
 3692atm(d155,d155_8,h,3,0.133).
 3693atm(d155,d155_9,h,3,0.133).
 3694atm(d155,d155_10,o,50,-0.227).
 3695atm(d155,d155_11,c,10,0.094).
 3696atm(d155,d155_12,h,3,0.054).
 3697atm(d155,d155_13,h,3,0.054).
 3698atm(d155,d155_14,h,3,0.054).
 3699atm(d155,d155_15,n,38,0.802).
 3700atm(d155,d155_16,n,38,0.802).
 3701atm(d155,d155_17,o,40,-0.397).
 3702atm(d155,d155_18,o,40,-0.397).
 3703atm(d155,d155_19,o,40,-0.396).
 3704atm(d155,d155_20,o,40,-0.396).
 3705
 3706bond(d155,d155_1,d155_2,7).
 3707bond(d155,d155_2,d155_3,7).
 3708bond(d155,d155_3,d155_4,7).
 3709bond(d155,d155_4,d155_5,7).
 3710bond(d155,d155_5,d155_6,7).
 3711bond(d155,d155_6,d155_1,7).
 3712bond(d155,d155_1,d155_7,1).
 3713bond(d155,d155_3,d155_8,1).
 3714bond(d155,d155_6,d155_9,1).
 3715bond(d155,d155_5,d155_10,1).
 3716bond(d155,d155_10,d155_11,1).
 3717bond(d155,d155_11,d155_12,1).
 3718bond(d155,d155_11,d155_13,1).
 3719bond(d155,d155_11,d155_14,1).
 3720bond(d155,d155_4,d155_15,1).
 3721bond(d155,d155_2,d155_16,1).
 3722bond(d155,d155_15,d155_17,2).
 3723bond(d155,d155_15,d155_18,2).
 3724bond(d155,d155_16,d155_19,2).
 3725bond(d155,d155_16,d155_20,2).
 3726atm(d156,d156_1,c,22,-0.133).
 3727atm(d156,d156_2,c,22,-0.133).
 3728atm(d156,d156_3,c,22,0.197).
 3729atm(d156,d156_4,c,22,-0.003).
 3730atm(d156,d156_5,c,22,-0.133).
 3731atm(d156,d156_6,c,22,-0.133).
 3732atm(d156,d156_7,h,3,0.126).
 3733atm(d156,d156_8,h,3,0.126).
 3734atm(d156,d156_9,h,3,0.126).
 3735atm(d156,d156_10,n,32,-0.405).
 3736atm(d156,d156_11,c,10,-0.003).
 3737atm(d156,d156_12,c,10,-0.104).
 3738atm(d156,d156_13,h,1,0.297).
 3739atm(d156,d156_14,h,3,0.047).
 3740atm(d156,d156_15,h,3,0.047).
 3741atm(d156,d156_16,h,3,0.047).
 3742atm(d156,d156_17,h,3,0.047).
 3743atm(d156,d156_18,n,38,0.796).
 3744atm(d156,d156_19,o,40,-0.405).
 3745atm(d156,d156_20,o,40,-0.404).
 3746
 3747bond(d156,d156_1,d156_2,7).
 3748bond(d156,d156_2,d156_3,7).
 3749bond(d156,d156_3,d156_4,7).
 3750bond(d156,d156_4,d156_5,7).
 3751bond(d156,d156_5,d156_6,7).
 3752bond(d156,d156_6,d156_1,7).
 3753bond(d156,d156_2,d156_7,1).
 3754bond(d156,d156_5,d156_8,1).
 3755bond(d156,d156_6,d156_9,1).
 3756bond(d156,d156_3,d156_10,1).
 3757bond(d156,d156_10,d156_11,1).
 3758bond(d156,d156_4,d156_12,1).
 3759bond(d156,d156_12,d156_11,1).
 3760bond(d156,d156_10,d156_13,1).
 3761bond(d156,d156_12,d156_14,1).
 3762bond(d156,d156_12,d156_15,1).
 3763bond(d156,d156_11,d156_16,1).
 3764bond(d156,d156_11,d156_17,1).
 3765bond(d156,d156_1,d156_18,1).
 3766bond(d156,d156_18,d156_19,2).
 3767bond(d156,d156_18,d156_20,2).
 3768atm(d157,d157_1,c,16,-0.191).
 3769atm(d157,d157_2,c,10,0.109).
 3770atm(d157,d157_3,c,22,-0.121).
 3771atm(d157,d157_4,c,27,0.009).
 3772atm(d157,d157_5,c,22,0.109).
 3773atm(d157,d157_6,c,16,-0.191).
 3774atm(d157,d157_7,c,22,-0.121).
 3775atm(d157,d157_8,c,22,-0.121).
 3776atm(d157,d157_9,c,27,0.009).
 3777atm(d157,d157_10,c,27,-0.091).
 3778atm(d157,d157_11,c,27,0.009).
 3779atm(d157,d157_12,c,22,-0.121).
 3780atm(d157,d157_13,c,22,-0.121).
 3781atm(d157,d157_14,c,22,-0.121).
 3782atm(d157,d157_15,c,22,-0.121).
 3783atm(d157,d157_16,c,22,-0.121).
 3784atm(d157,d157_17,h,3,0.139).
 3785atm(d157,d157_18,h,3,0.139).
 3786atm(d157,d157_19,h,3,0.139).
 3787atm(d157,d157_20,h,3,0.139).
 3788atm(d157,d157_21,h,3,0.139).
 3789atm(d157,d157_22,h,3,0.139).
 3790atm(d157,d157_23,h,3,0.059).
 3791atm(d157,d157_24,h,3,0.059).
 3792atm(d157,d157_25,h,3,0.109).
 3793atm(d157,d157_26,h,3,0.109).
 3794atm(d157,d157_27,n,38,0.808).
 3795atm(d157,d157_28,o,40,-0.391).
 3796atm(d157,d157_29,o,40,-0.391).
 3797
 3798bond(d157,d157_1,d157_2,1).
 3799bond(d157,d157_2,d157_3,1).
 3800bond(d157,d157_3,d157_4,7).
 3801bond(d157,d157_4,d157_5,7).
 3802bond(d157,d157_5,d157_6,1).
 3803bond(d157,d157_6,d157_1,2).
 3804bond(d157,d157_3,d157_7,7).
 3805bond(d157,d157_7,d157_8,7).
 3806bond(d157,d157_8,d157_9,7).
 3807bond(d157,d157_9,d157_10,7).
 3808bond(d157,d157_10,d157_4,7).
 3809bond(d157,d157_10,d157_11,7).
 3810bond(d157,d157_11,d157_12,7).
 3811bond(d157,d157_12,d157_13,7).
 3812bond(d157,d157_13,d157_5,7).
 3813bond(d157,d157_9,d157_14,7).
 3814bond(d157,d157_14,d157_15,7).
 3815bond(d157,d157_15,d157_16,7).
 3816bond(d157,d157_16,d157_11,7).
 3817bond(d157,d157_7,d157_17,1).
 3818bond(d157,d157_8,d157_18,1).
 3819bond(d157,d157_12,d157_19,1).
 3820bond(d157,d157_13,d157_20,1).
 3821bond(d157,d157_14,d157_21,1).
 3822bond(d157,d157_15,d157_22,1).
 3823bond(d157,d157_2,d157_23,1).
 3824bond(d157,d157_2,d157_24,1).
 3825bond(d157,d157_6,d157_25,1).
 3826bond(d157,d157_1,d157_26,1).
 3827bond(d157,d157_16,d157_27,1).
 3828bond(d157,d157_27,d157_28,2).
 3829bond(d157,d157_27,d157_29,2).
 3830atm(d158,d158_1,c,22,-0.124).
 3831atm(d158,d158_2,c,22,-0.124).
 3832atm(d158,d158_3,c,22,-0.124).
 3833atm(d158,d158_4,c,29,0.006).
 3834atm(d158,d158_5,c,22,-0.124).
 3835atm(d158,d158_6,c,22,-0.124).
 3836atm(d158,d158_7,h,3,0.136).
 3837atm(d158,d158_8,h,3,0.136).
 3838atm(d158,d158_9,h,3,0.136).
 3839atm(d158,d158_10,c,22,-0.124).
 3840atm(d158,d158_11,c,22,-0.124).
 3841atm(d158,d158_12,c,22,0.206).
 3842atm(d158,d158_13,c,22,-0.124).
 3843atm(d158,d158_14,c,22,-0.124).
 3844atm(d158,d158_15,c,29,0.006).
 3845atm(d158,d158_16,h,3,0.136).
 3846atm(d158,d158_17,h,3,0.136).
 3847atm(d158,d158_18,h,3,0.136).
 3848atm(d158,d158_19,c,10,0.006).
 3849atm(d158,d158_20,h,3,0.056).
 3850atm(d158,d158_21,h,3,0.056).
 3851atm(d158,d158_22,n,38,0.805).
 3852atm(d158,d158_23,o,40,-0.394).
 3853atm(d158,d158_24,o,40,-0.394).
 3854atm(d158,d158_25,n,32,-0.394).
 3855atm(d158,d158_26,c,14,0.605).
 3856atm(d158,d158_27,c,10,-0.144).
 3857atm(d158,d158_28,h,1,0.256).
 3858atm(d158,d158_29,o,40,-0.544).
 3859atm(d158,d158_30,h,3,0.056).
 3860atm(d158,d158_31,h,3,0.056).
 3861atm(d158,d158_32,h,3,0.056).
 3862
 3863bond(d158,d158_1,d158_2,7).
 3864bond(d158,d158_2,d158_3,7).
 3865bond(d158,d158_3,d158_4,7).
 3866bond(d158,d158_4,d158_5,7).
 3867bond(d158,d158_5,d158_6,7).
 3868bond(d158,d158_6,d158_1,7).
 3869bond(d158,d158_2,d158_7,1).
 3870bond(d158,d158_5,d158_8,1).
 3871bond(d158,d158_6,d158_9,1).
 3872bond(d158,d158_10,d158_11,7).
 3873bond(d158,d158_11,d158_12,7).
 3874bond(d158,d158_12,d158_13,7).
 3875bond(d158,d158_13,d158_14,7).
 3876bond(d158,d158_14,d158_15,7).
 3877bond(d158,d158_15,d158_10,7).
 3878bond(d158,d158_11,d158_16,1).
 3879bond(d158,d158_13,d158_17,1).
 3880bond(d158,d158_14,d158_18,1).
 3881bond(d158,d158_4,d158_15,1).
 3882bond(d158,d158_3,d158_19,1).
 3883bond(d158,d158_19,d158_10,1).
 3884bond(d158,d158_19,d158_20,1).
 3885bond(d158,d158_19,d158_21,1).
 3886bond(d158,d158_1,d158_22,1).
 3887bond(d158,d158_23,d158_22,2).
 3888bond(d158,d158_22,d158_24,2).
 3889bond(d158,d158_12,d158_25,1).
 3890bond(d158,d158_25,d158_26,1).
 3891bond(d158,d158_26,d158_27,1).
 3892bond(d158,d158_25,d158_28,1).
 3893bond(d158,d158_26,d158_29,2).
 3894bond(d158,d158_27,d158_30,1).
 3895bond(d158,d158_27,d158_31,1).
 3896bond(d158,d158_27,d158_32,1).
 3897atm(d159,d159_1,c,16,-0.191).
 3898atm(d159,d159_2,c,16,-0.191).
 3899atm(d159,d159_3,c,22,0.109).
 3900atm(d159,d159_4,c,27,0.009).
 3901atm(d159,d159_5,c,22,-0.121).
 3902atm(d159,d159_6,c,10,0.109).
 3903atm(d159,d159_7,c,22,-0.121).
 3904atm(d159,d159_8,c,22,-0.121).
 3905atm(d159,d159_9,c,27,0.009).
 3906atm(d159,d159_10,c,27,-0.091).
 3907atm(d159,d159_11,c,27,0.009).
 3908atm(d159,d159_12,c,22,-0.121).
 3909atm(d159,d159_13,c,22,-0.121).
 3910atm(d159,d159_14,c,22,-0.121).
 3911atm(d159,d159_15,c,22,-0.121).
 3912atm(d159,d159_16,c,22,-0.121).
 3913atm(d159,d159_17,h,3,0.139).
 3914atm(d159,d159_18,h,3,0.139).
 3915atm(d159,d159_19,h,3,0.139).
 3916atm(d159,d159_20,h,3,0.139).
 3917atm(d159,d159_21,h,3,0.139).
 3918atm(d159,d159_22,h,3,0.139).
 3919atm(d159,d159_23,h,3,0.059).
 3920atm(d159,d159_24,h,3,0.059).
 3921atm(d159,d159_25,h,3,0.109).
 3922atm(d159,d159_26,h,3,0.109).
 3923atm(d159,d159_27,n,38,0.808).
 3924atm(d159,d159_28,o,40,-0.391).
 3925atm(d159,d159_29,o,40,-0.391).
 3926
 3927bond(d159,d159_1,d159_2,2).
 3928bond(d159,d159_2,d159_3,1).
 3929bond(d159,d159_3,d159_4,7).
 3930bond(d159,d159_4,d159_5,7).
 3931bond(d159,d159_5,d159_6,1).
 3932bond(d159,d159_6,d159_1,1).
 3933bond(d159,d159_3,d159_7,7).
 3934bond(d159,d159_7,d159_8,7).
 3935bond(d159,d159_8,d159_9,7).
 3936bond(d159,d159_9,d159_10,7).
 3937bond(d159,d159_10,d159_4,7).
 3938bond(d159,d159_10,d159_11,7).
 3939bond(d159,d159_11,d159_12,7).
 3940bond(d159,d159_12,d159_13,7).
 3941bond(d159,d159_13,d159_5,7).
 3942bond(d159,d159_9,d159_14,7).
 3943bond(d159,d159_14,d159_15,7).
 3944bond(d159,d159_15,d159_16,7).
 3945bond(d159,d159_16,d159_11,7).
 3946bond(d159,d159_7,d159_17,1).
 3947bond(d159,d159_8,d159_18,1).
 3948bond(d159,d159_12,d159_19,1).
 3949bond(d159,d159_13,d159_20,1).
 3950bond(d159,d159_14,d159_21,1).
 3951bond(d159,d159_15,d159_22,1).
 3952bond(d159,d159_6,d159_23,1).
 3953bond(d159,d159_6,d159_24,1).
 3954bond(d159,d159_1,d159_25,1).
 3955bond(d159,d159_2,d159_26,1).
 3956bond(d159,d159_16,d159_27,1).
 3957bond(d159,d159_27,d159_28,2).
 3958bond(d159,d159_27,d159_29,2).
 3959atm(d16,d16_1,c,22,-0.118).
 3960atm(d16,d16_2,c,22,-0.118).
 3961atm(d16,d16_3,c,27,0.012).
 3962atm(d16,d16_4,c,27,-0.088).
 3963atm(d16,d16_5,c,28,0.012).
 3964atm(d16,d16_6,c,22,-0.118).
 3965atm(d16,d16_7,c,22,-0.118).
 3966atm(d16,d16_8,c,22,-0.118).
 3967atm(d16,d16_9,c,22,-0.118).
 3968atm(d16,d16_10,c,29,0.012).
 3969atm(d16,d16_11,c,28,0.012).
 3970atm(d16,d16_12,c,28,0.012).
 3971atm(d16,d16_13,c,22,-0.118).
 3972atm(d16,d16_14,c,22,-0.118).
 3973atm(d16,d16_15,c,22,-0.118).
 3974atm(d16,d16_16,c,22,-0.118).
 3975atm(d16,d16_17,n,38,0.812).
 3976atm(d16,d16_18,n,38,0.812).
 3977atm(d16,d16_19,o,40,-0.388).
 3978atm(d16,d16_20,o,40,-0.388).
 3979atm(d16,d16_21,o,40,-0.388).
 3980atm(d16,d16_22,o,40,-0.388).
 3981atm(d16,d16_23,h,3,0.142).
 3982atm(d16,d16_24,h,3,0.142).
 3983atm(d16,d16_25,h,3,0.142).
 3984atm(d16,d16_26,h,3,0.142).
 3985atm(d16,d16_27,h,3,0.142).
 3986atm(d16,d16_28,h,3,0.142).
 3987atm(d16,d16_29,h,3,0.142).
 3988atm(d16,d16_30,h,3,0.142).
 3989
 3990bond(d16,d16_1,d16_2,7).
 3991bond(d16,d16_2,d16_3,7).
 3992bond(d16,d16_3,d16_4,7).
 3993bond(d16,d16_4,d16_5,7).
 3994bond(d16,d16_5,d16_6,7).
 3995bond(d16,d16_6,d16_1,7).
 3996bond(d16,d16_3,d16_7,7).
 3997bond(d16,d16_7,d16_8,7).
 3998bond(d16,d16_8,d16_9,7).
 3999bond(d16,d16_9,d16_10,7).
 4000bond(d16,d16_10,d16_4,7).
 4001bond(d16,d16_11,d16_12,7).
 4002bond(d16,d16_12,d16_13,7).
 4003bond(d16,d16_13,d16_14,7).
 4004bond(d16,d16_14,d16_15,7).
 4005bond(d16,d16_15,d16_16,7).
 4006bond(d16,d16_16,d16_11,7).
 4007bond(d16,d16_11,d16_5,1).
 4008bond(d16,d16_7,d16_17,1).
 4009bond(d16,d16_2,d16_18,1).
 4010bond(d16,d16_17,d16_19,2).
 4011bond(d16,d16_17,d16_20,2).
 4012bond(d16,d16_18,d16_21,2).
 4013bond(d16,d16_18,d16_22,2).
 4014bond(d16,d16_1,d16_23,1).
 4015bond(d16,d16_6,d16_24,1).
 4016bond(d16,d16_8,d16_25,1).
 4017bond(d16,d16_9,d16_26,1).
 4018bond(d16,d16_14,d16_27,1).
 4019bond(d16,d16_15,d16_28,1).
 4020bond(d16,d16_16,d16_29,1).
 4021bond(d16,d16_13,d16_30,1).
 4022bond(d16,d16_12,d16_10,1).
 4023atm(d160,d160_1,c,22,-0.104).
 4024atm(d160,d160_2,c,22,-0.104).
 4025atm(d160,d160_3,c,22,-0.104).
 4026atm(d160,d160_4,c,22,-0.104).
 4027atm(d160,d160_5,c,22,0.226).
 4028atm(d160,d160_6,c,22,-0.104).
 4029atm(d160,d160_7,h,3,0.156).
 4030atm(d160,d160_8,h,3,0.156).
 4031atm(d160,d160_9,n,32,-0.755).
 4032atm(d160,d160_10,h,1,0.355).
 4033atm(d160,d160_11,h,1,0.356).
 4034atm(d160,d160_12,br,94,-0.124).
 4035atm(d160,d160_13,n,38,0.825).
 4036atm(d160,d160_14,n,38,0.825).
 4037atm(d160,d160_15,o,40,-0.375).
 4038atm(d160,d160_16,o,40,-0.375).
 4039atm(d160,d160_17,o,40,-0.375).
 4040atm(d160,d160_18,o,40,-0.375).
 4041
 4042bond(d160,d160_1,d160_2,7).
 4043bond(d160,d160_2,d160_3,7).
 4044bond(d160,d160_3,d160_4,7).
 4045bond(d160,d160_4,d160_5,7).
 4046bond(d160,d160_5,d160_6,7).
 4047bond(d160,d160_6,d160_1,7).
 4048bond(d160,d160_1,d160_7,1).
 4049bond(d160,d160_3,d160_8,1).
 4050bond(d160,d160_5,d160_9,1).
 4051bond(d160,d160_9,d160_10,1).
 4052bond(d160,d160_9,d160_11,1).
 4053bond(d160,d160_4,d160_12,1).
 4054bond(d160,d160_2,d160_13,1).
 4055bond(d160,d160_6,d160_14,1).
 4056bond(d160,d160_14,d160_15,2).
 4057bond(d160,d160_14,d160_16,2).
 4058bond(d160,d160_13,d160_17,2).
 4059bond(d160,d160_13,d160_18,2).
 4060atm(d161,d161_1,c,22,-0.106).
 4061atm(d161,d161_2,c,22,-0.106).
 4062atm(d161,d161_3,c,27,0.024).
 4063atm(d161,d161_4,c,195,-0.076).
 4064atm(d161,d161_5,c,195,-0.076).
 4065atm(d161,d161_6,c,22,-0.106).
 4066atm(d161,d161_7,h,3,0.154).
 4067atm(d161,d161_8,h,3,0.154).
 4068atm(d161,d161_9,c,22,-0.106).
 4069atm(d161,d161_10,c,22,-0.106).
 4070atm(d161,d161_11,c,27,0.024).
 4071atm(d161,d161_12,c,195,-0.076).
 4072atm(d161,d161_13,h,3,0.154).
 4073atm(d161,d161_14,h,3,0.154).
 4074atm(d161,d161_15,c,195,-0.076).
 4075atm(d161,d161_16,c,27,-0.076).
 4076atm(d161,d161_17,c,27,-0.076).
 4077atm(d161,d161_18,c,22,-0.106).
 4078atm(d161,d161_19,c,22,-0.106).
 4079atm(d161,d161_20,c,22,-0.106).
 4080atm(d161,d161_21,h,3,0.154).
 4081atm(d161,d161_22,h,3,0.154).
 4082atm(d161,d161_23,c,22,-0.106).
 4083atm(d161,d161_24,c,22,-0.106).
 4084atm(d161,d161_25,c,22,-0.106).
 4085atm(d161,d161_26,c,22,-0.106).
 4086atm(d161,d161_27,h,3,0.154).
 4087atm(d161,d161_28,h,3,0.154).
 4088atm(d161,d161_29,h,3,0.154).
 4089atm(d161,d161_30,h,3,0.154).
 4090atm(d161,d161_31,n,38,0.823).
 4091atm(d161,d161_32,n,38,0.823).
 4092atm(d161,d161_33,o,40,-0.377).
 4093atm(d161,d161_34,o,40,-0.376).
 4094atm(d161,d161_35,o,40,-0.376).
 4095atm(d161,d161_36,o,40,-0.377).
 4096
 4097bond(d161,d161_1,d161_2,7).
 4098bond(d161,d161_2,d161_3,7).
 4099bond(d161,d161_3,d161_4,7).
 4100bond(d161,d161_4,d161_5,7).
 4101bond(d161,d161_5,d161_6,7).
 4102bond(d161,d161_6,d161_1,7).
 4103bond(d161,d161_1,d161_7,1).
 4104bond(d161,d161_6,d161_8,1).
 4105bond(d161,d161_3,d161_9,7).
 4106bond(d161,d161_9,d161_10,7).
 4107bond(d161,d161_10,d161_11,7).
 4108bond(d161,d161_11,d161_12,7).
 4109bond(d161,d161_12,d161_4,7).
 4110bond(d161,d161_9,d161_13,1).
 4111bond(d161,d161_10,d161_14,1).
 4112bond(d161,d161_12,d161_15,7).
 4113bond(d161,d161_15,d161_16,7).
 4114bond(d161,d161_16,d161_17,7).
 4115bond(d161,d161_17,d161_5,7).
 4116bond(d161,d161_11,d161_18,7).
 4117bond(d161,d161_18,d161_19,7).
 4118bond(d161,d161_19,d161_20,7).
 4119bond(d161,d161_20,d161_15,7).
 4120bond(d161,d161_18,d161_21,1).
 4121bond(d161,d161_19,d161_22,1).
 4122bond(d161,d161_16,d161_23,7).
 4123bond(d161,d161_23,d161_24,7).
 4124bond(d161,d161_24,d161_25,7).
 4125bond(d161,d161_25,d161_26,7).
 4126bond(d161,d161_26,d161_17,7).
 4127bond(d161,d161_23,d161_27,1).
 4128bond(d161,d161_24,d161_28,1).
 4129bond(d161,d161_25,d161_29,1).
 4130bond(d161,d161_26,d161_30,1).
 4131bond(d161,d161_20,d161_31,1).
 4132bond(d161,d161_2,d161_32,1).
 4133bond(d161,d161_31,d161_33,2).
 4134bond(d161,d161_31,d161_34,2).
 4135bond(d161,d161_32,d161_35,2).
 4136bond(d161,d161_32,d161_36,2).
 4137atm(d162,d162_1,c,22,-0.113).
 4138atm(d162,d162_2,c,22,-0.113).
 4139atm(d162,d162_3,c,22,-0.113).
 4140atm(d162,d162_4,c,29,0.017).
 4141atm(d162,d162_5,c,22,-0.113).
 4142atm(d162,d162_6,c,22,-0.113).
 4143atm(d162,d162_7,h,3,0.147).
 4144atm(d162,d162_8,h,3,0.147).
 4145atm(d162,d162_9,h,3,0.147).
 4146atm(d162,d162_10,c,29,0.017).
 4147atm(d162,d162_11,c,22,-0.113).
 4148atm(d162,d162_12,c,22,-0.113).
 4149atm(d162,d162_13,c,22,-0.113).
 4150atm(d162,d162_14,c,22,-0.113).
 4151atm(d162,d162_15,c,22,-0.113).
 4152atm(d162,d162_16,h,3,0.147).
 4153atm(d162,d162_17,h,3,0.147).
 4154atm(d162,d162_18,h,3,0.147).
 4155atm(d162,d162_19,n,38,0.818).
 4156atm(d162,d162_20,n,38,0.818).
 4157atm(d162,d162_21,n,38,0.818).
 4158atm(d162,d162_22,n,38,0.818).
 4159atm(d162,d162_23,o,40,-0.382).
 4160atm(d162,d162_24,o,40,-0.382).
 4161atm(d162,d162_25,o,40,-0.382).
 4162atm(d162,d162_26,o,40,-0.383).
 4163atm(d162,d162_27,o,40,-0.383).
 4164atm(d162,d162_28,o,40,-0.382).
 4165atm(d162,d162_29,o,40,-0.382).
 4166atm(d162,d162_30,o,40,-0.382).
 4167
 4168bond(d162,d162_1,d162_2,7).
 4169bond(d162,d162_2,d162_3,7).
 4170bond(d162,d162_3,d162_4,7).
 4171bond(d162,d162_4,d162_5,7).
 4172bond(d162,d162_5,d162_6,7).
 4173bond(d162,d162_6,d162_1,7).
 4174bond(d162,d162_2,d162_7,1).
 4175bond(d162,d162_3,d162_8,1).
 4176bond(d162,d162_5,d162_9,1).
 4177bond(d162,d162_10,d162_11,7).
 4178bond(d162,d162_11,d162_12,7).
 4179bond(d162,d162_12,d162_13,7).
 4180bond(d162,d162_13,d162_14,7).
 4181bond(d162,d162_14,d162_15,7).
 4182bond(d162,d162_15,d162_10,7).
 4183bond(d162,d162_11,d162_16,1).
 4184bond(d162,d162_12,d162_17,1).
 4185bond(d162,d162_15,d162_18,1).
 4186bond(d162,d162_4,d162_10,1).
 4187bond(d162,d162_14,d162_19,1).
 4188bond(d162,d162_13,d162_20,1).
 4189bond(d162,d162_6,d162_21,1).
 4190bond(d162,d162_1,d162_22,1).
 4191bond(d162,d162_22,d162_23,2).
 4192bond(d162,d162_22,d162_24,2).
 4193bond(d162,d162_21,d162_25,2).
 4194bond(d162,d162_21,d162_26,2).
 4195bond(d162,d162_19,d162_27,2).
 4196bond(d162,d162_19,d162_28,2).
 4197bond(d162,d162_20,d162_29,2).
 4198bond(d162,d162_20,d162_30,2).
 4199atm(d163,d163_1,c,22,-0.115).
 4200atm(d163,d163_2,c,22,-0.115).
 4201atm(d163,d163_3,c,27,0.015).
 4202atm(d163,d163_4,c,27,-0.085).
 4203atm(d163,d163_5,c,27,0.015).
 4204atm(d163,d163_6,c,22,-0.115).
 4205atm(d163,d163_7,h,3,0.145).
 4206atm(d163,d163_8,h,3,0.146).
 4207atm(d163,d163_9,c,22,-0.115).
 4208atm(d163,d163_10,c,22,-0.115).
 4209atm(d163,d163_11,c,27,0.015).
 4210atm(d163,d163_12,c,27,-0.085).
 4211atm(d163,d163_13,h,3,0.146).
 4212atm(d163,d163_14,h,3,0.146).
 4213atm(d163,d163_15,c,27,0.015).
 4214atm(d163,d163_16,c,22,-0.115).
 4215atm(d163,d163_17,c,22,-0.115).
 4216atm(d163,d163_18,h,3,0.145).
 4217atm(d163,d163_19,h,3,0.145).
 4218atm(d163,d163_20,c,22,-0.115).
 4219atm(d163,d163_21,c,22,-0.115).
 4220atm(d163,d163_22,c,22,-0.115).
 4221atm(d163,d163_23,h,3,0.146).
 4222atm(d163,d163_24,h,3,0.145).
 4223atm(d163,d163_25,n,38,0.816).
 4224atm(d163,d163_26,n,38,0.816).
 4225atm(d163,d163_27,o,40,-0.384).
 4226atm(d163,d163_28,o,40,-0.384).
 4227atm(d163,d163_29,o,40,-0.384).
 4228atm(d163,d163_30,o,40,-0.384).
 4229
 4230bond(d163,d163_1,d163_2,7).
 4231bond(d163,d163_2,d163_3,7).
 4232bond(d163,d163_3,d163_4,7).
 4233bond(d163,d163_4,d163_5,7).
 4234bond(d163,d163_5,d163_6,7).
 4235bond(d163,d163_6,d163_1,7).
 4236bond(d163,d163_2,d163_7,1).
 4237bond(d163,d163_6,d163_8,1).
 4238bond(d163,d163_3,d163_9,7).
 4239bond(d163,d163_9,d163_10,7).
 4240bond(d163,d163_10,d163_11,7).
 4241bond(d163,d163_11,d163_12,7).
 4242bond(d163,d163_12,d163_4,7).
 4243bond(d163,d163_9,d163_13,1).
 4244bond(d163,d163_10,d163_14,1).
 4245bond(d163,d163_12,d163_15,7).
 4246bond(d163,d163_15,d163_16,7).
 4247bond(d163,d163_16,d163_17,7).
 4248bond(d163,d163_17,d163_5,7).
 4249bond(d163,d163_16,d163_18,1).
 4250bond(d163,d163_17,d163_19,1).
 4251bond(d163,d163_11,d163_20,7).
 4252bond(d163,d163_20,d163_21,7).
 4253bond(d163,d163_21,d163_22,7).
 4254bond(d163,d163_22,d163_15,7).
 4255bond(d163,d163_20,d163_23,1).
 4256bond(d163,d163_22,d163_24,1).
 4257bond(d163,d163_21,d163_25,1).
 4258bond(d163,d163_1,d163_26,1).
 4259bond(d163,d163_25,d163_27,2).
 4260bond(d163,d163_25,d163_28,2).
 4261bond(d163,d163_26,d163_29,2).
 4262bond(d163,d163_26,d163_30,2).
 4263atm(d164,d164_1,c,22,-0.115).
 4264atm(d164,d164_2,c,22,-0.115).
 4265atm(d164,d164_3,c,27,0.015).
 4266atm(d164,d164_4,c,27,-0.085).
 4267atm(d164,d164_5,c,27,0.015).
 4268atm(d164,d164_6,c,22,-0.115).
 4269atm(d164,d164_7,h,3,0.145).
 4270atm(d164,d164_8,h,3,0.146).
 4271atm(d164,d164_9,c,22,-0.115).
 4272atm(d164,d164_10,c,22,-0.115).
 4273atm(d164,d164_11,c,27,0.015).
 4274atm(d164,d164_12,c,27,-0.085).
 4275atm(d164,d164_13,h,3,0.146).
 4276atm(d164,d164_14,h,3,0.146).
 4277atm(d164,d164_15,c,27,0.015).
 4278atm(d164,d164_16,c,22,-0.115).
 4279atm(d164,d164_17,c,22,-0.115).
 4280atm(d164,d164_18,h,3,0.145).
 4281atm(d164,d164_19,h,3,0.145).
 4282atm(d164,d164_20,c,22,-0.115).
 4283atm(d164,d164_21,c,22,-0.115).
 4284atm(d164,d164_22,c,22,-0.115).
 4285atm(d164,d164_23,h,3,0.146).
 4286atm(d164,d164_24,h,3,0.145).
 4287atm(d164,d164_25,n,38,0.816).
 4288atm(d164,d164_26,n,38,0.816).
 4289atm(d164,d164_27,o,40,-0.384).
 4290atm(d164,d164_28,o,40,-0.384).
 4291atm(d164,d164_29,o,40,-0.384).
 4292atm(d164,d164_30,o,40,-0.384).
 4293
 4294bond(d164,d164_1,d164_2,7).
 4295bond(d164,d164_2,d164_3,7).
 4296bond(d164,d164_3,d164_4,7).
 4297bond(d164,d164_4,d164_5,7).
 4298bond(d164,d164_5,d164_6,7).
 4299bond(d164,d164_6,d164_1,7).
 4300bond(d164,d164_2,d164_7,1).
 4301bond(d164,d164_6,d164_8,1).
 4302bond(d164,d164_3,d164_9,7).
 4303bond(d164,d164_9,d164_10,7).
 4304bond(d164,d164_10,d164_11,7).
 4305bond(d164,d164_11,d164_12,7).
 4306bond(d164,d164_12,d164_4,7).
 4307bond(d164,d164_9,d164_13,1).
 4308bond(d164,d164_10,d164_14,1).
 4309bond(d164,d164_12,d164_15,7).
 4310bond(d164,d164_15,d164_16,7).
 4311bond(d164,d164_16,d164_17,7).
 4312bond(d164,d164_17,d164_5,7).
 4313bond(d164,d164_16,d164_18,1).
 4314bond(d164,d164_17,d164_19,1).
 4315bond(d164,d164_11,d164_20,7).
 4316bond(d164,d164_20,d164_21,7).
 4317bond(d164,d164_21,d164_22,7).
 4318bond(d164,d164_22,d164_15,7).
 4319bond(d164,d164_21,d164_23,1).
 4320bond(d164,d164_1,d164_24,1).
 4321bond(d164,d164_22,d164_25,1).
 4322bond(d164,d164_20,d164_26,1).
 4323bond(d164,d164_25,d164_27,2).
 4324bond(d164,d164_25,d164_28,2).
 4325bond(d164,d164_26,d164_29,2).
 4326bond(d164,d164_26,d164_30,2).
 4327atm(d165,d165_1,c,22,-0.122).
 4328atm(d165,d165_2,c,22,-0.122).
 4329atm(d165,d165_3,c,27,0.008).
 4330atm(d165,d165_4,c,27,-0.092).
 4331atm(d165,d165_5,c,28,0.008).
 4332atm(d165,d165_6,c,22,-0.122).
 4333atm(d165,d165_7,h,3,0.139).
 4334atm(d165,d165_8,h,3,0.138).
 4335atm(d165,d165_9,h,3,0.138).
 4336atm(d165,d165_10,c,22,-0.122).
 4337atm(d165,d165_11,c,22,-0.122).
 4338atm(d165,d165_12,c,22,-0.122).
 4339atm(d165,d165_13,c,29,0.008).
 4340atm(d165,d165_14,h,3,0.139).
 4341atm(d165,d165_15,h,3,0.138).
 4342atm(d165,d165_16,h,3,0.138).
 4343atm(d165,d165_17,c,28,0.008).
 4344atm(d165,d165_18,c,28,0.008).
 4345atm(d165,d165_19,c,22,-0.122).
 4346atm(d165,d165_20,c,22,-0.122).
 4347atm(d165,d165_21,c,22,-0.122).
 4348atm(d165,d165_22,c,22,-0.122).
 4349atm(d165,d165_23,h,3,0.139).
 4350atm(d165,d165_24,h,3,0.138).
 4351atm(d165,d165_25,h,3,0.138).
 4352atm(d165,d165_26,n,38,0.809).
 4353atm(d165,d165_27,o,40,-0.391).
 4354atm(d165,d165_28,o,40,-0.391).
 4355
 4356bond(d165,d165_1,d165_2,7).
 4357bond(d165,d165_2,d165_3,7).
 4358bond(d165,d165_3,d165_4,7).
 4359bond(d165,d165_4,d165_5,7).
 4360bond(d165,d165_5,d165_6,7).
 4361bond(d165,d165_6,d165_1,7).
 4362bond(d165,d165_1,d165_7,1).
 4363bond(d165,d165_2,d165_8,1).
 4364bond(d165,d165_6,d165_9,1).
 4365bond(d165,d165_3,d165_10,7).
 4366bond(d165,d165_10,d165_11,7).
 4367bond(d165,d165_11,d165_12,7).
 4368bond(d165,d165_12,d165_13,7).
 4369bond(d165,d165_13,d165_4,7).
 4370bond(d165,d165_10,d165_14,1).
 4371bond(d165,d165_11,d165_15,1).
 4372bond(d165,d165_12,d165_16,1).
 4373bond(d165,d165_17,d165_18,7).
 4374bond(d165,d165_18,d165_19,7).
 4375bond(d165,d165_19,d165_20,7).
 4376bond(d165,d165_20,d165_21,7).
 4377bond(d165,d165_21,d165_22,7).
 4378bond(d165,d165_22,d165_17,7).
 4379bond(d165,d165_19,d165_23,1).
 4380bond(d165,d165_20,d165_24,1).
 4381bond(d165,d165_22,d165_25,1).
 4382bond(d165,d165_17,d165_5,1).
 4383bond(d165,d165_18,d165_13,1).
 4384bond(d165,d165_21,d165_26,1).
 4385bond(d165,d165_26,d165_27,2).
 4386bond(d165,d165_26,d165_28,2).
 4387atm(d166,d166_1,c,22,-0.125).
 4388atm(d166,d166_2,c,22,-0.125).
 4389atm(d166,d166_3,c,27,0.005).
 4390atm(d166,d166_4,c,27,-0.095).
 4391atm(d166,d166_5,c,27,0.005).
 4392atm(d166,d166_6,c,22,-0.125).
 4393atm(d166,d166_7,h,3,0.135).
 4394atm(d166,d166_8,h,3,0.136).
 4395atm(d166,d166_9,h,3,0.136).
 4396atm(d166,d166_10,c,22,-0.125).
 4397atm(d166,d166_11,c,22,-0.125).
 4398atm(d166,d166_12,c,27,0.005).
 4399atm(d166,d166_13,c,27,-0.095).
 4400atm(d166,d166_14,h,3,0.136).
 4401atm(d166,d166_15,h,3,0.135).
 4402atm(d166,d166_16,c,27,0.005).
 4403atm(d166,d166_17,c,22,-0.125).
 4404atm(d166,d166_18,c,22,-0.125).
 4405atm(d166,d166_19,h,3,0.135).
 4406atm(d166,d166_20,h,3,0.135).
 4407atm(d166,d166_21,c,22,0.256).
 4408atm(d166,d166_22,c,22,-0.125).
 4409atm(d166,d166_23,c,22,-0.125).
 4410atm(d166,d166_24,h,3,0.135).
 4411atm(d166,d166_25,n,38,0.806).
 4412atm(d166,d166_26,o,40,-0.394).
 4413atm(d166,d166_27,o,40,-0.394).
 4414atm(d166,d166_28,o,49,-0.394).
 4415atm(d166,d166_29,c,14,0.706).
 4416atm(d166,d166_30,o,51,-0.544).
 4417atm(d166,d166_31,c,10,0.005).
 4418atm(d166,d166_32,h,3,0.055).
 4419atm(d166,d166_33,h,3,0.055).
 4420atm(d166,d166_34,h,3,0.055).
 4421
 4422bond(d166,d166_1,d166_2,7).
 4423bond(d166,d166_2,d166_3,7).
 4424bond(d166,d166_3,d166_4,7).
 4425bond(d166,d166_4,d166_5,7).
 4426bond(d166,d166_5,d166_6,7).
 4427bond(d166,d166_6,d166_1,7).
 4428bond(d166,d166_1,d166_7,1).
 4429bond(d166,d166_2,d166_8,1).
 4430bond(d166,d166_6,d166_9,1).
 4431bond(d166,d166_3,d166_10,7).
 4432bond(d166,d166_10,d166_11,7).
 4433bond(d166,d166_11,d166_12,7).
 4434bond(d166,d166_12,d166_13,7).
 4435bond(d166,d166_13,d166_4,7).
 4436bond(d166,d166_10,d166_14,1).
 4437bond(d166,d166_11,d166_15,1).
 4438bond(d166,d166_13,d166_16,7).
 4439bond(d166,d166_16,d166_17,7).
 4440bond(d166,d166_17,d166_18,7).
 4441bond(d166,d166_18,d166_5,7).
 4442bond(d166,d166_17,d166_19,1).
 4443bond(d166,d166_18,d166_20,1).
 4444bond(d166,d166_12,d166_21,7).
 4445bond(d166,d166_21,d166_22,7).
 4446bond(d166,d166_22,d166_23,7).
 4447bond(d166,d166_23,d166_16,7).
 4448bond(d166,d166_22,d166_24,1).
 4449bond(d166,d166_23,d166_25,1).
 4450bond(d166,d166_25,d166_26,2).
 4451bond(d166,d166_25,d166_27,2).
 4452bond(d166,d166_21,d166_28,1).
 4453bond(d166,d166_28,d166_29,1).
 4454bond(d166,d166_29,d166_30,2).
 4455bond(d166,d166_29,d166_31,1).
 4456bond(d166,d166_31,d166_32,1).
 4457bond(d166,d166_31,d166_33,1).
 4458bond(d166,d166_31,d166_34,1).
 4459atm(d167,d167_1,c,22,-0.115).
 4460atm(d167,d167_2,c,22,-0.115).
 4461atm(d167,d167_3,c,27,0.015).
 4462atm(d167,d167_4,c,27,-0.085).
 4463atm(d167,d167_5,c,27,0.015).
 4464atm(d167,d167_6,c,22,-0.115).
 4465atm(d167,d167_7,h,3,0.145).
 4466atm(d167,d167_8,h,3,0.146).
 4467atm(d167,d167_9,c,22,-0.115).
 4468atm(d167,d167_10,c,22,-0.115).
 4469atm(d167,d167_11,c,27,0.015).
 4470atm(d167,d167_12,c,27,-0.085).
 4471atm(d167,d167_13,h,3,0.146).
 4472atm(d167,d167_14,h,3,0.146).
 4473atm(d167,d167_15,c,27,0.015).
 4474atm(d167,d167_16,c,22,-0.115).
 4475atm(d167,d167_17,c,22,-0.115).
 4476atm(d167,d167_18,h,3,0.145).
 4477atm(d167,d167_19,h,3,0.145).
 4478atm(d167,d167_20,c,22,-0.115).
 4479atm(d167,d167_21,c,22,-0.115).
 4480atm(d167,d167_22,c,22,-0.115).
 4481atm(d167,d167_23,h,3,0.146).
 4482atm(d167,d167_24,h,3,0.145).
 4483atm(d167,d167_25,n,38,0.816).
 4484atm(d167,d167_26,n,38,0.816).
 4485atm(d167,d167_27,o,40,-0.384).
 4486atm(d167,d167_28,o,40,-0.384).
 4487atm(d167,d167_29,o,40,-0.384).
 4488atm(d167,d167_30,o,40,-0.384).
 4489
 4490bond(d167,d167_1,d167_2,7).
 4491bond(d167,d167_2,d167_3,7).
 4492bond(d167,d167_3,d167_4,7).
 4493bond(d167,d167_4,d167_5,7).
 4494bond(d167,d167_5,d167_6,7).
 4495bond(d167,d167_6,d167_1,7).
 4496bond(d167,d167_1,d167_7,1).
 4497bond(d167,d167_6,d167_8,1).
 4498bond(d167,d167_3,d167_9,7).
 4499bond(d167,d167_9,d167_10,7).
 4500bond(d167,d167_10,d167_11,7).
 4501bond(d167,d167_11,d167_12,7).
 4502bond(d167,d167_12,d167_4,7).
 4503bond(d167,d167_9,d167_13,1).
 4504bond(d167,d167_10,d167_14,1).
 4505bond(d167,d167_12,d167_15,7).
 4506bond(d167,d167_15,d167_16,7).
 4507bond(d167,d167_16,d167_17,7).
 4508bond(d167,d167_17,d167_5,7).
 4509bond(d167,d167_16,d167_18,1).
 4510bond(d167,d167_17,d167_19,1).
 4511bond(d167,d167_11,d167_20,7).
 4512bond(d167,d167_20,d167_21,7).
 4513bond(d167,d167_21,d167_22,7).
 4514bond(d167,d167_22,d167_15,7).
 4515bond(d167,d167_20,d167_23,1).
 4516bond(d167,d167_21,d167_24,1).
 4517bond(d167,d167_22,d167_25,1).
 4518bond(d167,d167_2,d167_26,1).
 4519bond(d167,d167_25,d167_27,2).
 4520bond(d167,d167_25,d167_28,2).
 4521bond(d167,d167_26,d167_29,2).
 4522bond(d167,d167_26,d167_30,2).
 4523atm(d168,d168_1,c,22,-0.133).
 4524atm(d168,d168_2,c,22,-0.133).
 4525atm(d168,d168_3,c,22,-0.133).
 4526atm(d168,d168_4,c,22,-0.133).
 4527atm(d168,d168_5,c,22,0.176).
 4528atm(d168,d168_6,c,22,-0.134).
 4529atm(d168,d168_7,h,3,0.127).
 4530atm(d168,d168_8,h,3,0.127).
 4531atm(d168,d168_9,h,3,0.127).
 4532atm(d168,d168_10,h,3,0.127).
 4533atm(d168,d168_11,o,50,-0.234).
 4534atm(d168,d168_12,c,10,0.087).
 4535atm(d168,d168_13,h,3,0.047).
 4536atm(d168,d168_14,h,3,0.047).
 4537atm(d168,d168_15,h,3,0.047).
 4538atm(d168,d168_16,n,38,0.796).
 4539atm(d168,d168_17,o,40,-0.404).
 4540atm(d168,d168_18,o,40,-0.404).
 4541
 4542bond(d168,d168_1,d168_2,7).
 4543bond(d168,d168_2,d168_3,7).
 4544bond(d168,d168_3,d168_4,7).
 4545bond(d168,d168_4,d168_5,7).
 4546bond(d168,d168_5,d168_6,7).
 4547bond(d168,d168_6,d168_1,7).
 4548bond(d168,d168_1,d168_7,1).
 4549bond(d168,d168_3,d168_8,1).
 4550bond(d168,d168_4,d168_9,1).
 4551bond(d168,d168_6,d168_10,1).
 4552bond(d168,d168_5,d168_11,1).
 4553bond(d168,d168_11,d168_12,1).
 4554bond(d168,d168_12,d168_13,1).
 4555bond(d168,d168_12,d168_14,1).
 4556bond(d168,d168_12,d168_15,1).
 4557bond(d168,d168_2,d168_16,1).
 4558bond(d168,d168_16,d168_17,2).
 4559bond(d168,d168_16,d168_18,2).
 4560atm(d169,d169_1,c,22,-0.114).
 4561atm(d169,d169_2,c,22,-0.114).
 4562atm(d169,d169_3,c,22,-0.114).
 4563atm(d169,d169_4,c,22,-0.114).
 4564atm(d169,d169_5,c,22,0.316).
 4565atm(d169,d169_6,c,22,-0.114).
 4566atm(d169,d169_7,h,3,0.146).
 4567atm(d169,d169_8,h,3,0.146).
 4568atm(d169,d169_9,h,3,0.146).
 4569atm(d169,d169_10,f,92,-0.284).
 4570atm(d169,d169_11,n,38,0.817).
 4571atm(d169,d169_12,n,38,0.817).
 4572atm(d169,d169_13,o,40,-0.383).
 4573atm(d169,d169_14,o,40,-0.384).
 4574atm(d169,d169_15,o,40,-0.384).
 4575atm(d169,d169_16,o,40,-0.383).
 4576
 4577bond(d169,d169_1,d169_2,7).
 4578bond(d169,d169_2,d169_3,7).
 4579bond(d169,d169_3,d169_4,7).
 4580bond(d169,d169_4,d169_5,7).
 4581bond(d169,d169_5,d169_6,7).
 4582bond(d169,d169_6,d169_1,7).
 4583bond(d169,d169_1,d169_7,1).
 4584bond(d169,d169_3,d169_8,1).
 4585bond(d169,d169_6,d169_9,1).
 4586bond(d169,d169_5,d169_10,1).
 4587bond(d169,d169_4,d169_11,1).
 4588bond(d169,d169_2,d169_12,1).
 4589bond(d169,d169_11,d169_13,2).
 4590bond(d169,d169_11,d169_14,2).
 4591bond(d169,d169_12,d169_15,2).
 4592bond(d169,d169_12,d169_16,2).
 4593atm(d17,d17_1,c,22,-0.132).
 4594atm(d17,d17_2,c,22,-0.132).
 4595atm(d17,d17_3,c,22,0.198).
 4596atm(d17,d17_4,c,22,-0.132).
 4597atm(d17,d17_5,c,22,0.198).
 4598atm(d17,d17_6,c,22,-0.132).
 4599atm(d17,d17_7,h,3,0.128).
 4600atm(d17,d17_8,h,3,0.128).
 4601atm(d17,d17_9,h,3,0.128).
 4602atm(d17,d17_10,n,38,0.799).
 4603atm(d17,d17_11,o,40,-0.401).
 4604atm(d17,d17_12,o,40,-0.401).
 4605atm(d17,d17_13,n,32,-0.781).
 4606atm(d17,d17_14,n,32,-0.781).
 4607atm(d17,d17_15,h,1,0.328).
 4608atm(d17,d17_16,h,1,0.328).
 4609atm(d17,d17_17,h,1,0.328).
 4610atm(d17,d17_18,h,1,0.329).
 4611
 4612bond(d17,d17_1,d17_2,7).
 4613bond(d17,d17_2,d17_3,7).
 4614bond(d17,d17_3,d17_4,7).
 4615bond(d17,d17_4,d17_5,7).
 4616bond(d17,d17_5,d17_6,7).
 4617bond(d17,d17_6,d17_1,7).
 4618bond(d17,d17_1,d17_7,1).
 4619bond(d17,d17_2,d17_8,1).
 4620bond(d17,d17_6,d17_9,1).
 4621bond(d17,d17_4,d17_10,1).
 4622bond(d17,d17_11,d17_10,2).
 4623bond(d17,d17_10,d17_12,2).
 4624bond(d17,d17_13,d17_5,1).
 4625bond(d17,d17_3,d17_14,1).
 4626bond(d17,d17_13,d17_15,1).
 4627bond(d17,d17_13,d17_16,1).
 4628bond(d17,d17_14,d17_17,1).
 4629bond(d17,d17_14,d17_18,1).
 4630atm(d170,d170_1,c,22,-0.148).
 4631atm(d170,d170_2,c,22,-0.148).
 4632atm(d170,d170_3,c,22,0.182).
 4633atm(d170,d170_4,c,22,0.182).
 4634atm(d170,d170_5,c,22,-0.148).
 4635atm(d170,d170_6,c,22,-0.148).
 4636atm(d170,d170_7,h,3,0.112).
 4637atm(d170,d170_8,h,3,0.112).
 4638atm(d170,d170_9,h,3,0.112).
 4639atm(d170,d170_10,h,3,0.112).
 4640atm(d170,d170_11,n,32,-0.419).
 4641atm(d170,d170_12,c,22,0.182).
 4642atm(d170,d170_13,c,22,0.182).
 4643atm(d170,d170_14,n,32,-0.418).
 4644atm(d170,d170_15,c,22,-0.148).
 4645atm(d170,d170_16,c,22,-0.148).
 4646atm(d170,d170_17,c,22,-0.148).
 4647atm(d170,d170_18,c,22,-0.148).
 4648atm(d170,d170_19,h,3,0.112).
 4649atm(d170,d170_20,h,3,0.112).
 4650atm(d170,d170_21,h,3,0.112).
 4651atm(d170,d170_22,h,1,0.282).
 4652atm(d170,d170_23,h,1,0.282).
 4653atm(d170,d170_24,n,38,0.781).
 4654atm(d170,d170_25,o,40,-0.418).
 4655atm(d170,d170_26,o,40,-0.418).
 4656
 4657bond(d170,d170_1,d170_2,7).
 4658bond(d170,d170_2,d170_3,7).
 4659bond(d170,d170_3,d170_4,7).
 4660bond(d170,d170_4,d170_5,7).
 4661bond(d170,d170_5,d170_6,7).
 4662bond(d170,d170_6,d170_1,7).
 4663bond(d170,d170_1,d170_7,1).
 4664bond(d170,d170_2,d170_8,1).
 4665bond(d170,d170_5,d170_9,1).
 4666bond(d170,d170_6,d170_10,1).
 4667bond(d170,d170_3,d170_11,1).
 4668bond(d170,d170_11,d170_12,1).
 4669bond(d170,d170_12,d170_13,7).
 4670bond(d170,d170_13,d170_14,1).
 4671bond(d170,d170_14,d170_4,1).
 4672bond(d170,d170_12,d170_15,7).
 4673bond(d170,d170_15,d170_16,7).
 4674bond(d170,d170_16,d170_17,7).
 4675bond(d170,d170_17,d170_18,7).
 4676bond(d170,d170_18,d170_13,7).
 4677bond(d170,d170_15,d170_19,1).
 4678bond(d170,d170_16,d170_20,1).
 4679bond(d170,d170_17,d170_21,1).
 4680bond(d170,d170_14,d170_22,1).
 4681bond(d170,d170_11,d170_23,1).
 4682bond(d170,d170_18,d170_24,1).
 4683bond(d170,d170_24,d170_25,2).
 4684bond(d170,d170_24,d170_26,2).
 4685atm(d171,d171_1,c,22,-0.113).
 4686atm(d171,d171_2,c,22,-0.113).
 4687atm(d171,d171_3,c,22,-0.113).
 4688atm(d171,d171_4,c,29,0.017).
 4689atm(d171,d171_5,c,22,-0.113).
 4690atm(d171,d171_6,c,22,-0.113).
 4691atm(d171,d171_7,h,3,0.147).
 4692atm(d171,d171_8,h,3,0.147).
 4693atm(d171,d171_9,h,3,0.147).
 4694atm(d171,d171_10,c,29,0.017).
 4695atm(d171,d171_11,c,22,-0.113).
 4696atm(d171,d171_12,c,22,-0.113).
 4697atm(d171,d171_13,c,22,-0.113).
 4698atm(d171,d171_14,c,22,-0.113).
 4699atm(d171,d171_15,c,22,-0.113).
 4700atm(d171,d171_16,h,3,0.147).
 4701atm(d171,d171_17,h,3,0.147).
 4702atm(d171,d171_18,h,3,0.147).
 4703atm(d171,d171_19,n,38,0.818).
 4704atm(d171,d171_20,n,38,0.818).
 4705atm(d171,d171_21,n,38,0.818).
 4706atm(d171,d171_22,n,38,0.818).
 4707atm(d171,d171_23,o,40,-0.382).
 4708atm(d171,d171_24,o,40,-0.382).
 4709atm(d171,d171_25,o,40,-0.382).
 4710atm(d171,d171_26,o,40,-0.383).
 4711atm(d171,d171_27,o,40,-0.383).
 4712atm(d171,d171_28,o,40,-0.382).
 4713atm(d171,d171_29,o,40,-0.382).
 4714atm(d171,d171_30,o,40,-0.382).
 4715
 4716bond(d171,d171_1,d171_2,7).
 4717bond(d171,d171_2,d171_3,7).
 4718bond(d171,d171_3,d171_4,7).
 4719bond(d171,d171_4,d171_5,7).
 4720bond(d171,d171_5,d171_6,7).
 4721bond(d171,d171_6,d171_1,7).
 4722bond(d171,d171_2,d171_7,1).
 4723bond(d171,d171_3,d171_8,1).
 4724bond(d171,d171_6,d171_9,1).
 4725bond(d171,d171_10,d171_11,7).
 4726bond(d171,d171_11,d171_12,7).
 4727bond(d171,d171_12,d171_13,7).
 4728bond(d171,d171_13,d171_14,7).
 4729bond(d171,d171_14,d171_15,7).
 4730bond(d171,d171_15,d171_10,7).
 4731bond(d171,d171_11,d171_16,1).
 4732bond(d171,d171_12,d171_17,1).
 4733bond(d171,d171_14,d171_18,1).
 4734bond(d171,d171_4,d171_10,1).
 4735bond(d171,d171_15,d171_19,1).
 4736bond(d171,d171_13,d171_20,1).
 4737bond(d171,d171_5,d171_21,1).
 4738bond(d171,d171_1,d171_22,1).
 4739bond(d171,d171_22,d171_23,2).
 4740bond(d171,d171_22,d171_24,2).
 4741bond(d171,d171_21,d171_25,2).
 4742bond(d171,d171_21,d171_26,2).
 4743bond(d171,d171_19,d171_27,2).
 4744bond(d171,d171_19,d171_28,2).
 4745bond(d171,d171_20,d171_29,2).
 4746bond(d171,d171_20,d171_30,2).
 4747atm(d172,d172_1,c,22,-0.115).
 4748atm(d172,d172_2,c,22,-0.115).
 4749atm(d172,d172_3,c,26,0.315).
 4750atm(d172,d172_4,c,26,0.115).
 4751atm(d172,d172_5,c,22,-0.115).
 4752atm(d172,d172_6,c,22,-0.115).
 4753atm(d172,d172_7,n,34,-0.384).
 4754atm(d172,d172_8,n,34,-0.384).
 4755atm(d172,d172_9,c,21,-0.115).
 4756atm(d172,d172_10,n,38,0.816).
 4757atm(d172,d172_11,o,40,-0.384).
 4758atm(d172,d172_12,o,40,-0.384).
 4759atm(d172,d172_13,h,1,0.315).
 4760atm(d172,d172_14,h,3,0.145).
 4761atm(d172,d172_15,h,3,0.115).
 4762atm(d172,d172_16,h,3,0.145).
 4763atm(d172,d172_17,h,3,0.145).
 4764
 4765bond(d172,d172_1,d172_2,7).
 4766bond(d172,d172_2,d172_3,7).
 4767bond(d172,d172_3,d172_4,7).
 4768bond(d172,d172_4,d172_5,7).
 4769bond(d172,d172_5,d172_6,7).
 4770bond(d172,d172_6,d172_1,7).
 4771bond(d172,d172_3,d172_7,7).
 4772bond(d172,d172_7,d172_8,7).
 4773bond(d172,d172_4,d172_9,7).
 4774bond(d172,d172_9,d172_8,7).
 4775bond(d172,d172_1,d172_10,1).
 4776bond(d172,d172_10,d172_11,2).
 4777bond(d172,d172_10,d172_12,2).
 4778bond(d172,d172_7,d172_13,1).
 4779bond(d172,d172_2,d172_14,1).
 4780bond(d172,d172_5,d172_15,1).
 4781bond(d172,d172_6,d172_16,1).
 4782bond(d172,d172_9,d172_17,1).
 4783atm(d173,d173_1,c,29,0.014).
 4784atm(d173,d173_2,c,22,-0.116).
 4785atm(d173,d173_3,c,22,-0.116).
 4786atm(d173,d173_4,c,22,-0.116).
 4787atm(d173,d173_5,c,22,-0.116).
 4788atm(d173,d173_6,c,22,-0.116).
 4789atm(d173,d173_7,h,3,0.144).
 4790atm(d173,d173_8,h,3,0.144).
 4791atm(d173,d173_9,h,3,0.144).
 4792atm(d173,d173_10,c,22,-0.116).
 4793atm(d173,d173_11,c,22,-0.116).
 4794atm(d173,d173_12,c,22,-0.116).
 4795atm(d173,d173_13,c,29,0.014).
 4796atm(d173,d173_14,c,22,-0.116).
 4797atm(d173,d173_15,c,22,-0.116).
 4798atm(d173,d173_16,h,3,0.144).
 4799atm(d173,d173_17,h,3,0.144).
 4800atm(d173,d173_18,h,3,0.144).
 4801atm(d173,d173_19,h,3,0.144).
 4802atm(d173,d173_20,n,38,0.813).
 4803atm(d173,d173_21,n,38,0.813).
 4804atm(d173,d173_22,n,38,0.814).
 4805atm(d173,d173_23,o,40,-0.386).
 4806atm(d173,d173_24,o,40,-0.386).
 4807atm(d173,d173_25,o,40,-0.386).
 4808atm(d173,d173_26,o,40,-0.386).
 4809atm(d173,d173_27,o,40,-0.386).
 4810atm(d173,d173_28,o,40,-0.386).
 4811
 4812bond(d173,d173_1,d173_2,7).
 4813bond(d173,d173_2,d173_3,7).
 4814bond(d173,d173_3,d173_4,7).
 4815bond(d173,d173_4,d173_5,7).
 4816bond(d173,d173_5,d173_6,7).
 4817bond(d173,d173_6,d173_1,7).
 4818bond(d173,d173_2,d173_7,1).
 4819bond(d173,d173_3,d173_8,1).
 4820bond(d173,d173_6,d173_9,1).
 4821bond(d173,d173_10,d173_11,7).
 4822bond(d173,d173_11,d173_12,7).
 4823bond(d173,d173_12,d173_13,7).
 4824bond(d173,d173_13,d173_14,7).
 4825bond(d173,d173_14,d173_15,7).
 4826bond(d173,d173_15,d173_10,7).
 4827bond(d173,d173_11,d173_16,1).
 4828bond(d173,d173_12,d173_17,1).
 4829bond(d173,d173_14,d173_18,1).
 4830bond(d173,d173_15,d173_19,1).
 4831bond(d173,d173_13,d173_1,1).
 4832bond(d173,d173_5,d173_20,1).
 4833bond(d173,d173_4,d173_21,1).
 4834bond(d173,d173_10,d173_22,1).
 4835bond(d173,d173_22,d173_23,2).
 4836bond(d173,d173_22,d173_24,2).
 4837bond(d173,d173_20,d173_25,2).
 4838bond(d173,d173_20,d173_26,2).
 4839bond(d173,d173_21,d173_27,2).
 4840bond(d173,d173_21,d173_28,2).
 4841atm(d174,d174_1,c,22,-0.118).
 4842atm(d174,d174_2,c,22,-0.118).
 4843atm(d174,d174_3,c,27,0.012).
 4844atm(d174,d174_4,c,27,-0.088).
 4845atm(d174,d174_5,c,28,0.012).
 4846atm(d174,d174_6,c,22,-0.118).
 4847atm(d174,d174_7,h,3,0.142).
 4848atm(d174,d174_8,h,3,0.142).
 4849atm(d174,d174_9,h,3,0.142).
 4850atm(d174,d174_10,c,22,-0.118).
 4851atm(d174,d174_11,c,22,-0.118).
 4852atm(d174,d174_12,c,22,-0.118).
 4853atm(d174,d174_13,c,29,0.012).
 4854atm(d174,d174_14,h,3,0.142).
 4855atm(d174,d174_15,h,3,0.142).
 4856atm(d174,d174_16,c,28,0.012).
 4857atm(d174,d174_17,c,28,0.012).
 4858atm(d174,d174_18,c,22,-0.118).
 4859atm(d174,d174_19,c,22,-0.118).
 4860atm(d174,d174_20,c,22,-0.118).
 4861atm(d174,d174_21,c,22,-0.118).
 4862atm(d174,d174_22,h,3,0.142).
 4863atm(d174,d174_23,h,3,0.142).
 4864atm(d174,d174_24,h,3,0.142).
 4865atm(d174,d174_25,n,38,0.812).
 4866atm(d174,d174_26,n,38,0.812).
 4867atm(d174,d174_27,o,40,-0.388).
 4868atm(d174,d174_28,o,40,-0.388).
 4869atm(d174,d174_29,o,40,-0.388).
 4870atm(d174,d174_30,o,40,-0.388).
 4871
 4872bond(d174,d174_1,d174_2,7).
 4873bond(d174,d174_2,d174_3,7).
 4874bond(d174,d174_3,d174_4,7).
 4875bond(d174,d174_4,d174_5,7).
 4876bond(d174,d174_5,d174_6,7).
 4877bond(d174,d174_6,d174_1,7).
 4878bond(d174,d174_1,d174_7,1).
 4879bond(d174,d174_2,d174_8,1).
 4880bond(d174,d174_6,d174_9,1).
 4881bond(d174,d174_3,d174_10,7).
 4882bond(d174,d174_10,d174_11,7).
 4883bond(d174,d174_11,d174_12,7).
 4884bond(d174,d174_12,d174_13,7).
 4885bond(d174,d174_13,d174_4,7).
 4886bond(d174,d174_11,d174_14,1).
 4887bond(d174,d174_12,d174_15,1).
 4888bond(d174,d174_16,d174_17,7).
 4889bond(d174,d174_17,d174_18,7).
 4890bond(d174,d174_18,d174_19,7).
 4891bond(d174,d174_19,d174_20,7).
 4892bond(d174,d174_20,d174_21,7).
 4893bond(d174,d174_21,d174_16,7).
 4894bond(d174,d174_18,d174_22,1).
 4895bond(d174,d174_20,d174_23,1).
 4896bond(d174,d174_21,d174_24,1).
 4897bond(d174,d174_16,d174_5,1).
 4898bond(d174,d174_17,d174_13,1).
 4899bond(d174,d174_10,d174_25,1).
 4900bond(d174,d174_19,d174_26,1).
 4901bond(d174,d174_25,d174_27,2).
 4902bond(d174,d174_25,d174_28,2).
 4903bond(d174,d174_26,d174_29,2).
 4904bond(d174,d174_26,d174_30,2).
 4905atm(d175,d175_1,c,22,-0.067).
 4906atm(d175,d175_2,c,22,-0.067).
 4907atm(d175,d175_3,c,22,0.244).
 4908atm(d175,d175_4,c,22,0.244).
 4909atm(d175,d175_5,c,22,-0.067).
 4910atm(d175,d175_6,c,22,-0.067).
 4911atm(d175,d175_7,h,3,0.194).
 4912atm(d175,d175_8,h,3,0.193).
 4913atm(d175,d175_9,o,50,-0.167).
 4914atm(d175,d175_10,c,22,0.244).
 4915atm(d175,d175_11,c,22,0.244).
 4916atm(d175,d175_12,o,50,-0.167).
 4917atm(d175,d175_13,c,22,-0.067).
 4918atm(d175,d175_14,c,22,-0.067).
 4919atm(d175,d175_15,c,22,-0.067).
 4920atm(d175,d175_16,c,22,-0.067).
 4921atm(d175,d175_17,n,38,0.864).
 4922atm(d175,d175_18,o,40,-0.336).
 4923atm(d175,d175_19,o,40,-0.336).
 4924atm(d175,d175_20,cl,93,-0.137).
 4925atm(d175,d175_21,cl,93,-0.137).
 4926atm(d175,d175_22,cl,93,-0.137).
 4927atm(d175,d175_23,cl,93,-0.137).
 4928atm(d175,d175_24,cl,93,-0.137).
 4929
 4930bond(d175,d175_1,d175_2,7).
 4931bond(d175,d175_2,d175_3,7).
 4932bond(d175,d175_3,d175_4,7).
 4933bond(d175,d175_4,d175_5,7).
 4934bond(d175,d175_5,d175_6,7).
 4935bond(d175,d175_6,d175_1,7).
 4936bond(d175,d175_2,d175_7,1).
 4937bond(d175,d175_5,d175_8,1).
 4938bond(d175,d175_3,d175_9,1).
 4939bond(d175,d175_9,d175_10,1).
 4940bond(d175,d175_10,d175_11,7).
 4941bond(d175,d175_11,d175_12,1).
 4942bond(d175,d175_12,d175_4,1).
 4943bond(d175,d175_10,d175_13,7).
 4944bond(d175,d175_13,d175_14,7).
 4945bond(d175,d175_14,d175_15,7).
 4946bond(d175,d175_15,d175_16,7).
 4947bond(d175,d175_16,d175_11,7).
 4948bond(d175,d175_14,d175_17,1).
 4949bond(d175,d175_17,d175_18,2).
 4950bond(d175,d175_17,d175_19,2).
 4951bond(d175,d175_16,d175_20,1).
 4952bond(d175,d175_15,d175_21,1).
 4953bond(d175,d175_13,d175_22,1).
 4954bond(d175,d175_1,d175_23,1).
 4955bond(d175,d175_6,d175_24,1).
 4956atm(d176,d176_1,c,22,-0.122).
 4957atm(d176,d176_2,c,22,-0.122).
 4958atm(d176,d176_3,c,22,-0.122).
 4959atm(d176,d176_4,c,22,0.108).
 4960atm(d176,d176_5,c,22,-0.122).
 4961atm(d176,d176_6,c,22,-0.122).
 4962atm(d176,d176_7,h,3,0.139).
 4963atm(d176,d176_8,h,3,0.139).
 4964atm(d176,d176_9,h,3,0.139).
 4965atm(d176,d176_10,c,10,0.108).
 4966atm(d176,d176_11,c,16,-0.191).
 4967atm(d176,d176_12,h,3,0.058).
 4968atm(d176,d176_13,h,3,0.058).
 4969atm(d176,d176_14,c,16,-0.191).
 4970atm(d176,d176_15,h,3,0.108).
 4971atm(d176,d176_16,h,3,0.108).
 4972atm(d176,d176_17,n,38,0.809).
 4973atm(d176,d176_18,o,40,-0.391).
 4974atm(d176,d176_19,o,40,-0.391).
 4975
 4976bond(d176,d176_1,d176_2,7).
 4977bond(d176,d176_2,d176_3,7).
 4978bond(d176,d176_3,d176_4,7).
 4979bond(d176,d176_4,d176_5,7).
 4980bond(d176,d176_5,d176_6,7).
 4981bond(d176,d176_6,d176_1,7).
 4982bond(d176,d176_2,d176_7,1).
 4983bond(d176,d176_5,d176_8,1).
 4984bond(d176,d176_6,d176_9,1).
 4985bond(d176,d176_3,d176_10,1).
 4986bond(d176,d176_10,d176_11,1).
 4987bond(d176,d176_10,d176_12,1).
 4988bond(d176,d176_10,d176_13,1).
 4989bond(d176,d176_4,d176_14,1).
 4990bond(d176,d176_14,d176_11,2).
 4991bond(d176,d176_14,d176_15,1).
 4992bond(d176,d176_11,d176_16,1).
 4993bond(d176,d176_1,d176_17,1).
 4994bond(d176,d176_17,d176_18,2).
 4995bond(d176,d176_17,d176_19,2).
 4996atm(d177,d177_1,c,22,-0.142).
 4997atm(d177,d177_2,c,22,-0.142).
 4998atm(d177,d177_3,c,22,0.188).
 4999atm(d177,d177_4,c,22,0.188).
 5000atm(d177,d177_5,c,22,-0.142).
 5001atm(d177,d177_6,c,22,-0.142).
 5002atm(d177,d177_7,h,3,0.118).
 5003atm(d177,d177_8,h,3,0.118).
 5004atm(d177,d177_9,h,3,0.118).
 5005atm(d177,d177_10,n,32,-0.412).
 5006atm(d177,d177_11,c,22,0.188).
 5007atm(d177,d177_12,c,22,0.188).
 5008atm(d177,d177_13,n,32,-0.412).
 5009atm(d177,d177_14,c,22,-0.142).
 5010atm(d177,d177_15,c,22,-0.142).
 5011atm(d177,d177_16,c,22,-0.142).
 5012atm(d177,d177_17,c,22,-0.142).
 5013atm(d177,d177_18,h,3,0.118).
 5014atm(d177,d177_19,h,3,0.118).
 5015atm(d177,d177_20,h,3,0.118).
 5016atm(d177,d177_21,h,1,0.288).
 5017atm(d177,d177_22,h,1,0.288).
 5018atm(d177,d177_23,n,38,0.787).
 5019atm(d177,d177_24,n,38,0.787).
 5020atm(d177,d177_25,o,40,-0.413).
 5021atm(d177,d177_26,o,40,-0.413).
 5022atm(d177,d177_27,o,40,-0.412).
 5023atm(d177,d177_28,o,40,-0.412).
 5024
 5025bond(d177,d177_1,d177_2,7).
 5026bond(d177,d177_2,d177_3,7).
 5027bond(d177,d177_3,d177_4,7).
 5028bond(d177,d177_4,d177_5,7).
 5029bond(d177,d177_5,d177_6,7).
 5030bond(d177,d177_6,d177_1,7).
 5031bond(d177,d177_1,d177_7,1).
 5032bond(d177,d177_2,d177_8,1).
 5033bond(d177,d177_6,d177_9,1).
 5034bond(d177,d177_3,d177_10,1).
 5035bond(d177,d177_10,d177_11,1).
 5036bond(d177,d177_11,d177_12,7).
 5037bond(d177,d177_12,d177_13,1).
 5038bond(d177,d177_13,d177_4,1).
 5039bond(d177,d177_11,d177_14,7).
 5040bond(d177,d177_14,d177_15,7).
 5041bond(d177,d177_15,d177_16,7).
 5042bond(d177,d177_16,d177_17,7).
 5043bond(d177,d177_17,d177_12,7).
 5044bond(d177,d177_14,d177_18,1).
 5045bond(d177,d177_15,d177_19,1).
 5046bond(d177,d177_16,d177_20,1).
 5047bond(d177,d177_13,d177_21,1).
 5048bond(d177,d177_10,d177_22,1).
 5049bond(d177,d177_17,d177_23,1).
 5050bond(d177,d177_5,d177_24,1).
 5051bond(d177,d177_24,d177_25,2).
 5052bond(d177,d177_24,d177_26,2).
 5053bond(d177,d177_23,d177_27,2).
 5054bond(d177,d177_23,d177_28,2).
 5055atm(d178,d178_1,c,22,-0.152).
 5056atm(d178,d178_2,c,22,-0.152).
 5057atm(d178,d178_3,c,22,0.177).
 5058atm(d178,d178_4,c,22,0.078).
 5059atm(d178,d178_5,c,22,-0.152).
 5060atm(d178,d178_6,c,22,-0.152).
 5061atm(d178,d178_7,h,3,0.108).
 5062atm(d178,d178_8,h,3,0.108).
 5063atm(d178,d178_9,h,3,0.108).
 5064atm(d178,d178_10,n,32,-0.423).
 5065atm(d178,d178_11,n,32,-0.423).
 5066atm(d178,d178_12,c,14,0.577).
 5067atm(d178,d178_13,h,3,0.028).
 5068atm(d178,d178_14,h,1,0.277).
 5069atm(d178,d178_15,c,10,-0.022).
 5070atm(d178,d178_16,h,3,0.028).
 5071atm(d178,d178_17,h,3,0.028).
 5072atm(d178,d178_18,h,3,0.028).
 5073atm(d178,d178_19,n,38,0.777).
 5074atm(d178,d178_20,o,40,-0.423).
 5075atm(d178,d178_21,o,40,-0.423).
 5076
 5077bond(d178,d178_1,d178_2,7).
 5078bond(d178,d178_2,d178_3,7).
 5079bond(d178,d178_3,d178_4,7).
 5080bond(d178,d178_4,d178_5,7).
 5081bond(d178,d178_5,d178_6,7).
 5082bond(d178,d178_6,d178_1,7).
 5083bond(d178,d178_1,d178_7,1).
 5084bond(d178,d178_5,d178_8,1).
 5085bond(d178,d178_6,d178_9,1).
 5086bond(d178,d178_3,d178_10,1).
 5087bond(d178,d178_10,d178_11,1).
 5088bond(d178,d178_4,d178_12,1).
 5089bond(d178,d178_12,d178_11,2).
 5090bond(d178,d178_12,d178_13,1).
 5091bond(d178,d178_10,d178_14,1).
 5092bond(d178,d178_11,d178_15,1).
 5093bond(d178,d178_15,d178_16,1).
 5094bond(d178,d178_15,d178_17,1).
 5095bond(d178,d178_15,d178_18,1).
 5096bond(d178,d178_2,d178_19,1).
 5097bond(d178,d178_19,d178_20,2).
 5098bond(d178,d178_19,d178_21,2).
 5099atm(d179,d179_1,c,22,-0.126).
 5100atm(d179,d179_2,c,22,-0.126).
 5101atm(d179,d179_3,c,22,-0.126).
 5102atm(d179,d179_4,c,22,-0.126).
 5103atm(d179,d179_5,c,22,0.104).
 5104atm(d179,d179_6,c,22,-0.126).
 5105atm(d179,d179_7,h,3,0.134).
 5106atm(d179,d179_8,h,3,0.133).
 5107atm(d179,d179_9,h,3,0.133).
 5108atm(d179,d179_10,h,3,0.133).
 5109atm(d179,d179_11,c,16,-0.197).
 5110atm(d179,d179_12,c,16,0.104).
 5111atm(d179,d179_13,h,3,0.104).
 5112atm(d179,d179_14,o,50,-0.227).
 5113atm(d179,d179_15,h,3,0.104).
 5114atm(d179,d179_16,c,22,0.183).
 5115atm(d179,d179_17,c,22,-0.126).
 5116atm(d179,d179_18,c,22,-0.126).
 5117atm(d179,d179_19,c,22,-0.126).
 5118atm(d179,d179_20,c,22,-0.126).
 5119atm(d179,d179_21,c,22,-0.126).
 5120atm(d179,d179_22,h,3,0.133).
 5121atm(d179,d179_23,h,3,0.133).
 5122atm(d179,d179_24,h,3,0.134).
 5123atm(d179,d179_25,h,3,0.134).
 5124atm(d179,d179_26,n,38,0.803).
 5125atm(d179,d179_27,o,40,-0.397).
 5126atm(d179,d179_28,o,40,-0.397).
 5127atm(d179,d179_29,n,38,0.803).
 5128atm(d179,d179_30,o,40,-0.397).
 5129atm(d179,d179_31,o,40,-0.397).
 5130
 5131bond(d179,d179_1,d179_2,7).
 5132bond(d179,d179_2,d179_3,7).
 5133bond(d179,d179_3,d179_4,7).
 5134bond(d179,d179_4,d179_5,7).
 5135bond(d179,d179_5,d179_6,7).
 5136bond(d179,d179_6,d179_1,7).
 5137bond(d179,d179_1,d179_7,1).
 5138bond(d179,d179_3,d179_8,1).
 5139bond(d179,d179_4,d179_9,1).
 5140bond(d179,d179_6,d179_10,1).
 5141bond(d179,d179_5,d179_11,1).
 5142bond(d179,d179_11,d179_12,2).
 5143bond(d179,d179_11,d179_13,1).
 5144bond(d179,d179_12,d179_14,1).
 5145bond(d179,d179_12,d179_15,1).
 5146bond(d179,d179_14,d179_16,1).
 5147bond(d179,d179_16,d179_17,7).
 5148bond(d179,d179_17,d179_18,7).
 5149bond(d179,d179_18,d179_19,7).
 5150bond(d179,d179_19,d179_20,7).
 5151bond(d179,d179_20,d179_21,7).
 5152bond(d179,d179_21,d179_16,7).
 5153bond(d179,d179_17,d179_22,1).
 5154bond(d179,d179_18,d179_23,1).
 5155bond(d179,d179_20,d179_24,1).
 5156bond(d179,d179_21,d179_25,1).
 5157bond(d179,d179_2,d179_26,1).
 5158bond(d179,d179_26,d179_27,2).
 5159bond(d179,d179_26,d179_28,2).
 5160bond(d179,d179_19,d179_29,1).
 5161bond(d179,d179_29,d179_30,2).
 5162bond(d179,d179_29,d179_31,2).
 5163atm(d18,d18_1,c,22,-0.133).
 5164atm(d18,d18_2,c,22,-0.133).
 5165atm(d18,d18_3,c,22,0.097).
 5166atm(d18,d18_4,c,29,-0.003).
 5167atm(d18,d18_5,c,22,-0.133).
 5168atm(d18,d18_6,c,22,-0.133).
 5169atm(d18,d18_7,c,22,0.097).
 5170atm(d18,d18_8,c,22,-0.133).
 5171atm(d18,d18_9,c,22,-0.133).
 5172atm(d18,d18_10,c,22,-0.133).
 5173atm(d18,d18_11,c,22,-0.133).
 5174atm(d18,d18_12,c,29,-0.003).
 5175atm(d18,d18_13,c,14,0.547).
 5176atm(d18,d18_14,o,40,-0.552).
 5177atm(d18,d18_15,n,38,0.798).
 5178atm(d18,d18_16,o,40,-0.403).
 5179atm(d18,d18_17,o,40,-0.403).
 5180atm(d18,d18_18,h,3,0.127).
 5181atm(d18,d18_19,h,3,0.127).
 5182atm(d18,d18_20,h,3,0.127).
 5183atm(d18,d18_21,h,3,0.127).
 5184atm(d18,d18_22,h,3,0.127).
 5185atm(d18,d18_23,h,3,0.127).
 5186atm(d18,d18_24,h,3,0.127).
 5187
 5188bond(d18,d18_1,d18_2,7).
 5189bond(d18,d18_2,d18_3,7).
 5190bond(d18,d18_3,d18_4,7).
 5191bond(d18,d18_4,d18_5,7).
 5192bond(d18,d18_5,d18_6,7).
 5193bond(d18,d18_6,d18_1,7).
 5194bond(d18,d18_7,d18_8,7).
 5195bond(d18,d18_8,d18_9,7).
 5196bond(d18,d18_9,d18_10,7).
 5197bond(d18,d18_10,d18_11,7).
 5198bond(d18,d18_11,d18_12,7).
 5199bond(d18,d18_12,d18_7,7).
 5200bond(d18,d18_4,d18_12,1).
 5201bond(d18,d18_3,d18_13,1).
 5202bond(d18,d18_13,d18_7,1).
 5203bond(d18,d18_13,d18_14,2).
 5204bond(d18,d18_10,d18_15,1).
 5205bond(d18,d18_16,d18_15,2).
 5206bond(d18,d18_15,d18_17,2).
 5207bond(d18,d18_1,d18_18,1).
 5208bond(d18,d18_2,d18_19,1).
 5209bond(d18,d18_5,d18_20,1).
 5210bond(d18,d18_6,d18_21,1).
 5211bond(d18,d18_8,d18_22,1).
 5212bond(d18,d18_9,d18_23,1).
 5213bond(d18,d18_11,d18_24,1).
 5214atm(d180,d180_1,c,22,-0.113).
 5215atm(d180,d180_2,c,22,-0.113).
 5216atm(d180,d180_3,c,22,-0.113).
 5217atm(d180,d180_4,c,29,0.017).
 5218atm(d180,d180_5,c,27,-0.083).
 5219atm(d180,d180_6,c,27,0.017).
 5220atm(d180,d180_7,c,27,-0.083).
 5221atm(d180,d180_8,c,27,0.017).
 5222atm(d180,d180_9,c,22,-0.113).
 5223atm(d180,d180_10,c,22,-0.113).
 5224atm(d180,d180_11,c,27,-0.083).
 5225atm(d180,d180_12,c,27,0.017).
 5226atm(d180,d180_13,c,22,-0.113).
 5227atm(d180,d180_14,c,22,-0.113).
 5228atm(d180,d180_15,c,27,-0.083).
 5229atm(d180,d180_16,c,27,0.017).
 5230atm(d180,d180_17,c,22,-0.113).
 5231atm(d180,d180_18,c,22,-0.113).
 5232atm(d180,d180_19,c,29,0.017).
 5233atm(d180,d180_20,c,22,-0.113).
 5234atm(d180,d180_21,c,22,-0.113).
 5235atm(d180,d180_22,c,22,-0.113).
 5236atm(d180,d180_23,n,38,0.818).
 5237atm(d180,d180_24,n,38,0.818).
 5238atm(d180,d180_25,o,40,-0.382).
 5239atm(d180,d180_26,o,40,-0.382).
 5240atm(d180,d180_27,o,40,-0.382).
 5241atm(d180,d180_28,o,40,-0.382).
 5242atm(d180,d180_29,h,3,0.148).
 5243atm(d180,d180_30,h,3,0.148).
 5244atm(d180,d180_31,h,3,0.148).
 5245atm(d180,d180_32,h,3,0.147).
 5246atm(d180,d180_33,h,3,0.147).
 5247atm(d180,d180_34,h,3,0.148).
 5248atm(d180,d180_35,h,3,0.148).
 5249atm(d180,d180_36,h,3,0.148).
 5250atm(d180,d180_37,h,3,0.148).
 5251atm(d180,d180_38,h,3,0.148).
 5252
 5253bond(d180,d180_1,d180_2,7).
 5254bond(d180,d180_2,d180_3,7).
 5255bond(d180,d180_3,d180_4,7).
 5256bond(d180,d180_4,d180_5,7).
 5257bond(d180,d180_5,d180_6,7).
 5258bond(d180,d180_6,d180_1,7).
 5259bond(d180,d180_5,d180_7,7).
 5260bond(d180,d180_7,d180_8,7).
 5261bond(d180,d180_8,d180_9,7).
 5262bond(d180,d180_9,d180_10,7).
 5263bond(d180,d180_10,d180_6,7).
 5264bond(d180,d180_7,d180_11,7).
 5265bond(d180,d180_11,d180_12,7).
 5266bond(d180,d180_12,d180_13,7).
 5267bond(d180,d180_13,d180_14,7).
 5268bond(d180,d180_14,d180_8,7).
 5269bond(d180,d180_11,d180_15,7).
 5270bond(d180,d180_15,d180_16,7).
 5271bond(d180,d180_16,d180_17,7).
 5272bond(d180,d180_17,d180_18,7).
 5273bond(d180,d180_18,d180_12,7).
 5274bond(d180,d180_15,d180_19,7).
 5275bond(d180,d180_19,d180_20,7).
 5276bond(d180,d180_20,d180_21,7).
 5277bond(d180,d180_21,d180_22,7).
 5278bond(d180,d180_22,d180_16,7).
 5279bond(d180,d180_4,d180_19,1).
 5280bond(d180,d180_22,d180_23,1).
 5281bond(d180,d180_3,d180_24,1).
 5282bond(d180,d180_23,d180_25,2).
 5283bond(d180,d180_23,d180_26,2).
 5284bond(d180,d180_24,d180_27,2).
 5285bond(d180,d180_24,d180_28,2).
 5286bond(d180,d180_1,d180_29,1).
 5287bond(d180,d180_2,d180_30,1).
 5288bond(d180,d180_9,d180_31,1).
 5289bond(d180,d180_10,d180_32,1).
 5290bond(d180,d180_13,d180_33,1).
 5291bond(d180,d180_14,d180_34,1).
 5292bond(d180,d180_17,d180_35,1).
 5293bond(d180,d180_18,d180_36,1).
 5294bond(d180,d180_20,d180_37,1).
 5295bond(d180,d180_21,d180_38,1).
 5296atm(d181,d181_1,c,22,-0.132).
 5297atm(d181,d181_2,c,22,0.198).
 5298atm(d181,d181_3,c,22,-0.132).
 5299atm(d181,d181_4,c,22,-0.132).
 5300atm(d181,d181_5,c,22,0.198).
 5301atm(d181,d181_6,c,22,-0.132).
 5302atm(d181,d181_7,h,3,0.128).
 5303atm(d181,d181_8,h,3,0.128).
 5304atm(d181,d181_9,h,3,0.128).
 5305atm(d181,d181_10,n,32,-0.781).
 5306atm(d181,d181_11,n,32,-0.781).
 5307atm(d181,d181_12,n,38,0.799).
 5308atm(d181,d181_13,o,40,-0.401).
 5309atm(d181,d181_14,o,40,-0.401).
 5310atm(d181,d181_15,h,1,0.328).
 5311atm(d181,d181_16,h,1,0.328).
 5312atm(d181,d181_17,h,1,0.328).
 5313atm(d181,d181_18,h,1,0.329).
 5314
 5315bond(d181,d181_1,d181_2,7).
 5316bond(d181,d181_2,d181_3,7).
 5317bond(d181,d181_3,d181_4,7).
 5318bond(d181,d181_4,d181_5,7).
 5319bond(d181,d181_5,d181_6,7).
 5320bond(d181,d181_6,d181_1,7).
 5321bond(d181,d181_1,d181_7,1).
 5322bond(d181,d181_3,d181_8,1).
 5323bond(d181,d181_6,d181_9,1).
 5324bond(d181,d181_5,d181_10,1).
 5325bond(d181,d181_2,d181_11,1).
 5326bond(d181,d181_4,d181_12,1).
 5327bond(d181,d181_12,d181_13,2).
 5328bond(d181,d181_12,d181_14,2).
 5329bond(d181,d181_10,d181_15,1).
 5330bond(d181,d181_10,d181_16,1).
 5331bond(d181,d181_11,d181_17,1).
 5332bond(d181,d181_11,d181_18,1).
 5333atm(d182,d182_1,c,22,-0.114).
 5334atm(d182,d182_2,c,22,-0.114).
 5335atm(d182,d182_3,c,27,-0.084).
 5336atm(d182,d182_4,c,27,0.016).
 5337atm(d182,d182_5,c,22,-0.114).
 5338atm(d182,d182_6,c,22,-0.114).
 5339atm(d182,d182_7,h,3,0.146).
 5340atm(d182,d182_8,h,3,0.146).
 5341atm(d182,d182_9,h,3,0.146).
 5342atm(d182,d182_10,n,35,-0.755).
 5343atm(d182,d182_11,c,22,0.516).
 5344atm(d182,d182_12,c,22,-0.114).
 5345atm(d182,d182_13,c,22,-0.114).
 5346atm(d182,d182_14,h,3,0.146).
 5347atm(d182,d182_15,h,3,0.146).
 5348atm(d182,d182_16,c,10,0.016).
 5349atm(d182,d182_17,h,3,0.066).
 5350atm(d182,d182_18,h,3,0.066).
 5351atm(d182,d182_19,h,3,0.066).
 5352atm(d182,d182_20,n,38,0.815).
 5353atm(d182,d182_21,o,40,-0.384).
 5354atm(d182,d182_22,o,40,-0.384).
 5355
 5356bond(d182,d182_1,d182_2,7).
 5357bond(d182,d182_2,d182_3,7).
 5358bond(d182,d182_3,d182_4,7).
 5359bond(d182,d182_4,d182_5,7).
 5360bond(d182,d182_5,d182_6,7).
 5361bond(d182,d182_6,d182_1,7).
 5362bond(d182,d182_1,d182_7,1).
 5363bond(d182,d182_5,d182_8,1).
 5364bond(d182,d182_6,d182_9,1).
 5365bond(d182,d182_3,d182_10,7).
 5366bond(d182,d182_10,d182_11,7).
 5367bond(d182,d182_11,d182_12,7).
 5368bond(d182,d182_12,d182_13,7).
 5369bond(d182,d182_13,d182_4,7).
 5370bond(d182,d182_12,d182_14,1).
 5371bond(d182,d182_13,d182_15,1).
 5372bond(d182,d182_11,d182_16,1).
 5373bond(d182,d182_16,d182_17,1).
 5374bond(d182,d182_16,d182_18,1).
 5375bond(d182,d182_16,d182_19,1).
 5376bond(d182,d182_2,d182_20,1).
 5377bond(d182,d182_20,d182_21,2).
 5378bond(d182,d182_20,d182_22,2).
 5379atm(d183,d183_1,c,22,-0.115).
 5380atm(d183,d183_2,c,22,-0.115).
 5381atm(d183,d183_3,c,27,0.015).
 5382atm(d183,d183_4,c,27,-0.085).
 5383atm(d183,d183_5,c,27,0.015).
 5384atm(d183,d183_6,c,22,-0.115).
 5385atm(d183,d183_7,h,3,0.145).
 5386atm(d183,d183_8,h,3,0.146).
 5387atm(d183,d183_9,c,22,-0.115).
 5388atm(d183,d183_10,c,22,-0.115).
 5389atm(d183,d183_11,c,27,0.015).
 5390atm(d183,d183_12,c,27,-0.085).
 5391atm(d183,d183_13,h,3,0.146).
 5392atm(d183,d183_14,h,3,0.146).
 5393atm(d183,d183_15,c,27,0.015).
 5394atm(d183,d183_16,c,22,-0.115).
 5395atm(d183,d183_17,c,22,-0.115).
 5396atm(d183,d183_18,h,3,0.145).
 5397atm(d183,d183_19,h,3,0.145).
 5398atm(d183,d183_20,c,22,-0.115).
 5399atm(d183,d183_21,c,22,-0.115).
 5400atm(d183,d183_22,c,22,-0.115).
 5401atm(d183,d183_23,h,3,0.146).
 5402atm(d183,d183_24,h,3,0.145).
 5403atm(d183,d183_25,n,38,0.816).
 5404atm(d183,d183_26,n,38,0.816).
 5405atm(d183,d183_27,o,40,-0.384).
 5406atm(d183,d183_28,o,40,-0.384).
 5407atm(d183,d183_29,o,40,-0.384).
 5408atm(d183,d183_30,o,40,-0.384).
 5409
 5410bond(d183,d183_1,d183_2,7).
 5411bond(d183,d183_2,d183_3,7).
 5412bond(d183,d183_3,d183_4,7).
 5413bond(d183,d183_4,d183_5,7).
 5414bond(d183,d183_5,d183_6,7).
 5415bond(d183,d183_6,d183_1,7).
 5416bond(d183,d183_1,d183_7,1).
 5417bond(d183,d183_2,d183_8,1).
 5418bond(d183,d183_3,d183_9,7).
 5419bond(d183,d183_9,d183_10,7).
 5420bond(d183,d183_10,d183_11,7).
 5421bond(d183,d183_11,d183_12,7).
 5422bond(d183,d183_12,d183_4,7).
 5423bond(d183,d183_9,d183_13,1).
 5424bond(d183,d183_10,d183_14,1).
 5425bond(d183,d183_12,d183_15,7).
 5426bond(d183,d183_15,d183_16,7).
 5427bond(d183,d183_16,d183_17,7).
 5428bond(d183,d183_17,d183_5,7).
 5429bond(d183,d183_16,d183_18,1).
 5430bond(d183,d183_17,d183_19,1).
 5431bond(d183,d183_11,d183_20,7).
 5432bond(d183,d183_20,d183_21,7).
 5433bond(d183,d183_21,d183_22,7).
 5434bond(d183,d183_22,d183_15,7).
 5435bond(d183,d183_20,d183_23,1).
 5436bond(d183,d183_21,d183_24,1).
 5437bond(d183,d183_22,d183_25,1).
 5438bond(d183,d183_6,d183_26,1).
 5439bond(d183,d183_26,d183_27,2).
 5440bond(d183,d183_26,d183_28,2).
 5441bond(d183,d183_25,d183_29,2).
 5442bond(d183,d183_25,d183_30,2).
 5443atm(d184,d184_1,c,22,-0.118).
 5444atm(d184,d184_2,c,22,-0.118).
 5445atm(d184,d184_3,c,27,0.012).
 5446atm(d184,d184_4,c,27,-0.088).
 5447atm(d184,d184_5,c,28,0.012).
 5448atm(d184,d184_6,c,22,-0.118).
 5449atm(d184,d184_7,h,3,0.142).
 5450atm(d184,d184_8,h,3,0.142).
 5451atm(d184,d184_9,h,3,0.142).
 5452atm(d184,d184_10,c,22,-0.118).
 5453atm(d184,d184_11,c,22,-0.118).
 5454atm(d184,d184_12,c,22,-0.118).
 5455atm(d184,d184_13,c,29,0.012).
 5456atm(d184,d184_14,h,3,0.142).
 5457atm(d184,d184_15,h,3,0.142).
 5458atm(d184,d184_16,c,28,0.012).
 5459atm(d184,d184_17,c,28,0.012).
 5460atm(d184,d184_18,c,22,-0.118).
 5461atm(d184,d184_19,c,22,-0.118).
 5462atm(d184,d184_20,c,22,-0.118).
 5463atm(d184,d184_21,c,22,-0.118).
 5464atm(d184,d184_22,h,3,0.142).
 5465atm(d184,d184_23,h,3,0.142).
 5466atm(d184,d184_24,h,3,0.142).
 5467atm(d184,d184_25,n,38,0.812).
 5468atm(d184,d184_26,n,38,0.812).
 5469atm(d184,d184_27,o,40,-0.388).
 5470atm(d184,d184_28,o,40,-0.388).
 5471atm(d184,d184_29,o,40,-0.388).
 5472atm(d184,d184_30,o,40,-0.388).
 5473
 5474bond(d184,d184_1,d184_2,7).
 5475bond(d184,d184_2,d184_3,7).
 5476bond(d184,d184_3,d184_4,7).
 5477bond(d184,d184_4,d184_5,7).
 5478bond(d184,d184_5,d184_6,7).
 5479bond(d184,d184_6,d184_1,7).
 5480bond(d184,d184_1,d184_7,1).
 5481bond(d184,d184_2,d184_8,1).
 5482bond(d184,d184_6,d184_9,1).
 5483bond(d184,d184_3,d184_10,7).
 5484bond(d184,d184_10,d184_11,7).
 5485bond(d184,d184_11,d184_12,7).
 5486bond(d184,d184_12,d184_13,7).
 5487bond(d184,d184_13,d184_4,7).
 5488bond(d184,d184_11,d184_14,1).
 5489bond(d184,d184_12,d184_15,1).
 5490bond(d184,d184_16,d184_17,7).
 5491bond(d184,d184_17,d184_18,7).
 5492bond(d184,d184_18,d184_19,7).
 5493bond(d184,d184_19,d184_20,7).
 5494bond(d184,d184_20,d184_21,7).
 5495bond(d184,d184_21,d184_16,7).
 5496bond(d184,d184_18,d184_22,1).
 5497bond(d184,d184_19,d184_23,1).
 5498bond(d184,d184_20,d184_24,1).
 5499bond(d184,d184_16,d184_5,1).
 5500bond(d184,d184_17,d184_13,1).
 5501bond(d184,d184_10,d184_25,1).
 5502bond(d184,d184_21,d184_26,1).
 5503bond(d184,d184_26,d184_27,2).
 5504bond(d184,d184_26,d184_28,2).
 5505bond(d184,d184_25,d184_29,2).
 5506bond(d184,d184_25,d184_30,2).
 5507atm(d185,d185_1,c,22,-0.114).
 5508atm(d185,d185_2,c,22,-0.114).
 5509atm(d185,d185_3,c,22,-0.114).
 5510atm(d185,d185_4,c,22,-0.114).
 5511atm(d185,d185_5,c,22,0.316).
 5512atm(d185,d185_6,c,22,-0.114).
 5513atm(d185,d185_7,h,3,0.146).
 5514atm(d185,d185_8,h,3,0.146).
 5515atm(d185,d185_9,h,3,0.146).
 5516atm(d185,d185_10,f,92,-0.284).
 5517atm(d185,d185_11,n,38,0.817).
 5518atm(d185,d185_12,n,38,0.817).
 5519atm(d185,d185_13,o,40,-0.383).
 5520atm(d185,d185_14,o,40,-0.384).
 5521atm(d185,d185_15,o,40,-0.384).
 5522atm(d185,d185_16,o,40,-0.383).
 5523
 5524bond(d185,d185_1,d185_2,7).
 5525bond(d185,d185_2,d185_3,7).
 5526bond(d185,d185_3,d185_4,7).
 5527bond(d185,d185_4,d185_5,7).
 5528bond(d185,d185_5,d185_6,7).
 5529bond(d185,d185_6,d185_1,7).
 5530bond(d185,d185_1,d185_7,1).
 5531bond(d185,d185_4,d185_8,1).
 5532bond(d185,d185_6,d185_9,1).
 5533bond(d185,d185_5,d185_10,1).
 5534bond(d185,d185_3,d185_11,1).
 5535bond(d185,d185_2,d185_12,1).
 5536bond(d185,d185_12,d185_13,2).
 5537bond(d185,d185_12,d185_14,2).
 5538bond(d185,d185_11,d185_15,2).
 5539bond(d185,d185_11,d185_16,2).
 5540atm(d186,d186_1,c,22,-0.133).
 5541atm(d186,d186_2,c,22,-0.133).
 5542atm(d186,d186_3,c,22,0.197).
 5543atm(d186,d186_4,c,22,-0.004).
 5544atm(d186,d186_5,c,22,-0.133).
 5545atm(d186,d186_6,c,22,-0.133).
 5546atm(d186,d186_7,h,3,0.126).
 5547atm(d186,d186_8,h,3,0.126).
 5548atm(d186,d186_9,h,3,0.126).
 5549atm(d186,d186_10,n,32,-0.403).
 5550atm(d186,d186_11,c,10,-0.004).
 5551atm(d186,d186_12,c,10,-0.104).
 5552atm(d186,d186_13,h,3,0.046).
 5553atm(d186,d186_14,h,3,0.046).
 5554atm(d186,d186_15,h,3,0.046).
 5555atm(d186,d186_16,h,3,0.046).
 5556atm(d186,d186_17,h,1,0.296).
 5557atm(d186,d186_18,n,38,0.798).
 5558atm(d186,d186_19,o,40,-0.403).
 5559atm(d186,d186_20,o,40,-0.403).
 5560
 5561bond(d186,d186_1,d186_2,7).
 5562bond(d186,d186_2,d186_3,7).
 5563bond(d186,d186_3,d186_4,7).
 5564bond(d186,d186_4,d186_5,7).
 5565bond(d186,d186_5,d186_6,7).
 5566bond(d186,d186_6,d186_1,7).
 5567bond(d186,d186_1,d186_7,1).
 5568bond(d186,d186_2,d186_8,1).
 5569bond(d186,d186_5,d186_9,1).
 5570bond(d186,d186_3,d186_10,1).
 5571bond(d186,d186_10,d186_11,1).
 5572bond(d186,d186_4,d186_12,1).
 5573bond(d186,d186_12,d186_11,1).
 5574bond(d186,d186_12,d186_13,1).
 5575bond(d186,d186_12,d186_14,1).
 5576bond(d186,d186_11,d186_15,1).
 5577bond(d186,d186_11,d186_16,1).
 5578bond(d186,d186_10,d186_17,1).
 5579bond(d186,d186_6,d186_18,1).
 5580bond(d186,d186_18,d186_19,2).
 5581bond(d186,d186_18,d186_20,2).
 5582atm(d187,d187_1,c,194,0.004).
 5583atm(d187,d187_2,c,194,0.004).
 5584atm(d187,d187_3,c,29,0.004).
 5585atm(d187,d187_4,c,194,0.004).
 5586atm(d187,d187_5,c,29,0.004).
 5587atm(d187,d187_6,c,29,0.004).
 5588atm(d187,d187_7,c,22,-0.126).
 5589atm(d187,d187_8,c,22,-0.126).
 5590atm(d187,d187_9,c,22,-0.126).
 5591atm(d187,d187_10,c,22,-0.126).
 5592atm(d187,d187_11,h,3,0.134).
 5593atm(d187,d187_12,h,3,0.134).
 5594atm(d187,d187_13,h,3,0.134).
 5595atm(d187,d187_14,c,22,-0.126).
 5596atm(d187,d187_15,c,22,-0.126).
 5597atm(d187,d187_16,c,22,-0.126).
 5598atm(d187,d187_17,c,22,-0.126).
 5599atm(d187,d187_18,h,3,0.134).
 5600atm(d187,d187_19,h,3,0.134).
 5601atm(d187,d187_20,h,3,0.134).
 5602atm(d187,d187_21,h,3,0.134).
 5603atm(d187,d187_22,c,22,-0.126).
 5604atm(d187,d187_23,c,22,-0.126).
 5605atm(d187,d187_24,c,22,-0.126).
 5606atm(d187,d187_25,c,22,-0.126).
 5607atm(d187,d187_26,h,3,0.134).
 5608atm(d187,d187_27,h,3,0.134).
 5609atm(d187,d187_28,h,3,0.134).
 5610atm(d187,d187_29,h,3,0.134).
 5611atm(d187,d187_30,n,38,0.805).
 5612atm(d187,d187_31,o,40,-0.395).
 5613atm(d187,d187_32,o,40,-0.396).
 5614
 5615bond(d187,d187_1,d187_2,1).
 5616bond(d187,d187_2,d187_3,7).
 5617bond(d187,d187_3,d187_4,1).
 5618bond(d187,d187_4,d187_5,7).
 5619bond(d187,d187_5,d187_6,1).
 5620bond(d187,d187_6,d187_1,7).
 5621bond(d187,d187_4,d187_7,7).
 5622bond(d187,d187_7,d187_8,7).
 5623bond(d187,d187_8,d187_9,7).
 5624bond(d187,d187_9,d187_10,7).
 5625bond(d187,d187_10,d187_5,7).
 5626bond(d187,d187_7,d187_11,1).
 5627bond(d187,d187_8,d187_12,1).
 5628bond(d187,d187_10,d187_13,1).
 5629bond(d187,d187_2,d187_14,7).
 5630bond(d187,d187_14,d187_15,7).
 5631bond(d187,d187_15,d187_16,7).
 5632bond(d187,d187_16,d187_17,7).
 5633bond(d187,d187_17,d187_3,7).
 5634bond(d187,d187_14,d187_18,1).
 5635bond(d187,d187_15,d187_19,1).
 5636bond(d187,d187_16,d187_20,1).
 5637bond(d187,d187_17,d187_21,1).
 5638bond(d187,d187_6,d187_22,7).
 5639bond(d187,d187_22,d187_23,7).
 5640bond(d187,d187_23,d187_24,7).
 5641bond(d187,d187_24,d187_25,7).
 5642bond(d187,d187_25,d187_1,7).
 5643bond(d187,d187_22,d187_26,1).
 5644bond(d187,d187_23,d187_27,1).
 5645bond(d187,d187_24,d187_28,1).
 5646bond(d187,d187_25,d187_29,1).
 5647bond(d187,d187_9,d187_30,1).
 5648bond(d187,d187_30,d187_31,2).
 5649bond(d187,d187_30,d187_32,2).
 5650atm(d188,d188_1,c,22,-0.137).
 5651atm(d188,d188_2,c,22,-0.137).
 5652atm(d188,d188_3,c,22,0.193).
 5653atm(d188,d188_4,c,29,-0.007).
 5654atm(d188,d188_5,c,22,-0.137).
 5655atm(d188,d188_6,c,22,-0.137).
 5656atm(d188,d188_7,h,3,0.123).
 5657atm(d188,d188_8,h,3,0.123).
 5658atm(d188,d188_9,h,3,0.123).
 5659atm(d188,d188_10,h,3,0.123).
 5660atm(d188,d188_11,c,22,0.193).
 5661atm(d188,d188_12,c,22,-0.137).
 5662atm(d188,d188_13,c,22,-0.137).
 5663atm(d188,d188_14,c,22,-0.137).
 5664atm(d188,d188_15,c,22,-0.137).
 5665atm(d188,d188_16,c,29,-0.007).
 5666atm(d188,d188_17,h,3,0.123).
 5667atm(d188,d188_18,h,3,0.123).
 5668atm(d188,d188_19,h,3,0.123).
 5669atm(d188,d188_20,n,32,-0.408).
 5670atm(d188,d188_21,h,1,0.293).
 5671atm(d188,d188_22,n,38,0.792).
 5672atm(d188,d188_23,o,40,-0.407).
 5673atm(d188,d188_24,o,40,-0.407).
 5674
 5675bond(d188,d188_1,d188_2,7).
 5676bond(d188,d188_2,d188_3,7).
 5677bond(d188,d188_3,d188_4,7).
 5678bond(d188,d188_4,d188_5,7).
 5679bond(d188,d188_5,d188_6,7).
 5680bond(d188,d188_6,d188_1,7).
 5681bond(d188,d188_1,d188_7,1).
 5682bond(d188,d188_2,d188_8,1).
 5683bond(d188,d188_5,d188_9,1).
 5684bond(d188,d188_6,d188_10,1).
 5685bond(d188,d188_11,d188_12,7).
 5686bond(d188,d188_12,d188_13,7).
 5687bond(d188,d188_13,d188_14,7).
 5688bond(d188,d188_14,d188_15,7).
 5689bond(d188,d188_15,d188_16,7).
 5690bond(d188,d188_16,d188_11,7).
 5691bond(d188,d188_12,d188_17,1).
 5692bond(d188,d188_13,d188_18,1).
 5693bond(d188,d188_15,d188_19,1).
 5694bond(d188,d188_4,d188_16,1).
 5695bond(d188,d188_3,d188_20,1).
 5696bond(d188,d188_20,d188_11,1).
 5697bond(d188,d188_20,d188_21,1).
 5698bond(d188,d188_14,d188_22,1).
 5699bond(d188,d188_22,d188_23,2).
 5700bond(d188,d188_22,d188_24,2).
 5701atm(d189,d189_1,c,22,-0.11).
 5702atm(d189,d189_2,c,22,-0.11).
 5703atm(d189,d189_3,c,27,0.02).
 5704atm(d189,d189_4,c,27,0.02).
 5705atm(d189,d189_5,c,22,-0.11).
 5706atm(d189,d189_6,c,22,-0.11).
 5707atm(d189,d189_7,h,3,0.15).
 5708atm(d189,d189_8,h,3,0.15).
 5709atm(d189,d189_9,c,22,-0.11).
 5710atm(d189,d189_10,c,22,-0.11).
 5711atm(d189,d189_11,c,22,-0.11).
 5712atm(d189,d189_12,c,22,-0.11).
 5713atm(d189,d189_13,h,3,0.15).
 5714atm(d189,d189_14,h,3,0.15).
 5715atm(d189,d189_15,n,38,0.82).
 5716atm(d189,d189_16,n,38,0.82).
 5717atm(d189,d189_17,n,38,0.82).
 5718atm(d189,d189_18,n,38,0.82).
 5719atm(d189,d189_19,o,40,-0.38).
 5720atm(d189,d189_20,o,40,-0.38).
 5721atm(d189,d189_21,o,40,-0.38).
 5722atm(d189,d189_22,o,40,-0.38).
 5723atm(d189,d189_23,o,40,-0.38).
 5724atm(d189,d189_24,o,40,-0.38).
 5725atm(d189,d189_25,o,40,-0.38).
 5726atm(d189,d189_26,o,40,-0.38).
 5727
 5728bond(d189,d189_1,d189_2,7).
 5729bond(d189,d189_2,d189_3,7).
 5730bond(d189,d189_3,d189_4,7).
 5731bond(d189,d189_4,d189_5,7).
 5732bond(d189,d189_5,d189_6,7).
 5733bond(d189,d189_6,d189_1,7).
 5734bond(d189,d189_2,d189_7,1).
 5735bond(d189,d189_6,d189_8,1).
 5736bond(d189,d189_3,d189_9,7).
 5737bond(d189,d189_9,d189_10,7).
 5738bond(d189,d189_10,d189_11,7).
 5739bond(d189,d189_11,d189_12,7).
 5740bond(d189,d189_12,d189_4,7).
 5741bond(d189,d189_9,d189_13,1).
 5742bond(d189,d189_11,d189_14,1).
 5743bond(d189,d189_12,d189_15,1).
 5744bond(d189,d189_10,d189_16,1).
 5745bond(d189,d189_5,d189_17,1).
 5746bond(d189,d189_1,d189_18,1).
 5747bond(d189,d189_17,d189_19,2).
 5748bond(d189,d189_17,d189_20,2).
 5749bond(d189,d189_15,d189_21,2).
 5750bond(d189,d189_15,d189_22,2).
 5751bond(d189,d189_16,d189_23,2).
 5752bond(d189,d189_16,d189_24,2).
 5753bond(d189,d189_18,d189_25,2).
 5754bond(d189,d189_18,d189_26,2).
 5755atm(d19,d19_1,c,22,-0.097).
 5756atm(d19,d19_2,c,22,-0.097).
 5757atm(d19,d19_3,c,27,-0.067).
 5758atm(d19,d19_4,c,27,0.033).
 5759atm(d19,d19_5,c,22,-0.097).
 5760atm(d19,d19_6,c,22,-0.097).
 5761atm(d19,d19_7,h,3,0.162).
 5762atm(d19,d19_8,h,3,0.162).
 5763atm(d19,d19_9,h,3,0.163).
 5764atm(d19,d19_10,n,35,-0.738).
 5765atm(d19,d19_11,c,22,0.282).
 5766atm(d19,d19_12,c,22,-0.097).
 5767atm(d19,d19_13,c,22,-0.097).
 5768atm(d19,d19_14,h,3,0.163).
 5769atm(d19,d19_15,h,3,0.163).
 5770atm(d19,d19_16,h,3,0.163).
 5771atm(d19,d19_17,n,38,0.832).
 5772atm(d19,d19_18,o,40,-0.368).
 5773atm(d19,d19_19,o,40,-0.368).
 5774
 5775bond(d19,d19_1,d19_2,7).
 5776bond(d19,d19_2,d19_3,7).
 5777bond(d19,d19_3,d19_4,7).
 5778bond(d19,d19_4,d19_5,7).
 5779bond(d19,d19_5,d19_6,7).
 5780bond(d19,d19_6,d19_1,7).
 5781bond(d19,d19_1,d19_7,1).
 5782bond(d19,d19_2,d19_8,1).
 5783bond(d19,d19_5,d19_9,1).
 5784bond(d19,d19_3,d19_10,7).
 5785bond(d19,d19_10,d19_11,7).
 5786bond(d19,d19_11,d19_12,7).
 5787bond(d19,d19_12,d19_13,7).
 5788bond(d19,d19_13,d19_4,7).
 5789bond(d19,d19_11,d19_14,1).
 5790bond(d19,d19_12,d19_15,1).
 5791bond(d19,d19_13,d19_16,1).
 5792bond(d19,d19_17,d19_6,1).
 5793bond(d19,d19_18,d19_17,2).
 5794bond(d19,d19_19,d19_17,2).
 5795atm(d190,d190_1,c,22,-0.138).
 5796atm(d190,d190_2,c,22,-0.138).
 5797atm(d190,d190_3,c,26,-0.048).
 5798atm(d190,d190_4,c,26,0.092).
 5799atm(d190,d190_5,c,22,-0.138).
 5800atm(d190,d190_6,c,22,-0.138).
 5801atm(d190,d190_7,n,34,-0.367).
 5802atm(d190,d190_8,c,21,0.162).
 5803atm(d190,d190_9,c,21,-0.108).
 5804atm(d190,d190_10,n,38,0.793).
 5805atm(d190,d190_11,o,40,-0.407).
 5806atm(d190,d190_12,o,40,-0.407).
 5807atm(d190,d190_13,h,1,0.292).
 5808atm(d190,d190_14,h,3,0.122).
 5809atm(d190,d190_15,h,3,0.122).
 5810atm(d190,d190_16,h,3,0.092).
 5811atm(d190,d190_17,h,3,0.122).
 5812atm(d190,d190_18,h,3,0.092).
 5813
 5814bond(d190,d190_1,d190_2,7).
 5815bond(d190,d190_2,d190_3,7).
 5816bond(d190,d190_3,d190_4,7).
 5817bond(d190,d190_4,d190_5,7).
 5818bond(d190,d190_5,d190_6,7).
 5819bond(d190,d190_6,d190_1,7).
 5820bond(d190,d190_3,d190_7,7).
 5821bond(d190,d190_7,d190_8,7).
 5822bond(d190,d190_4,d190_9,7).
 5823bond(d190,d190_9,d190_8,7).
 5824bond(d190,d190_6,d190_10,1).
 5825bond(d190,d190_10,d190_11,2).
 5826bond(d190,d190_10,d190_12,2).
 5827bond(d190,d190_7,d190_13,1).
 5828bond(d190,d190_1,d190_14,1).
 5829bond(d190,d190_2,d190_15,1).
 5830bond(d190,d190_5,d190_16,1).
 5831bond(d190,d190_8,d190_17,1).
 5832bond(d190,d190_9,d190_18,1).
 5833atm(d191,d191_1,c,22,-0.133).
 5834atm(d191,d191_2,c,22,-0.133).
 5835atm(d191,d191_3,c,27,-0.002).
 5836atm(d191,d191_4,c,27,-0.102).
 5837atm(d191,d191_5,c,27,-0.002).
 5838atm(d191,d191_6,c,22,-0.133).
 5839atm(d191,d191_7,c,27,-0.102).
 5840atm(d191,d191_8,c,27,-0.002).
 5841atm(d191,d191_9,c,22,-0.133).
 5842atm(d191,d191_10,c,22,-0.133).
 5843atm(d191,d191_11,c,26,0.098).
 5844atm(d191,d191_12,c,26,0.098).
 5845atm(d191,d191_13,c,22,-0.133).
 5846atm(d191,d191_14,c,22,-0.133).
 5847atm(d191,d191_15,c,22,-0.132).
 5848atm(d191,d191_16,c,26,0.098).
 5849atm(d191,d191_17,c,21,-0.102).
 5850atm(d191,d191_18,c,21,-0.002).
 5851atm(d191,d191_19,h,3,0.128).
 5852atm(d191,d191_20,h,3,0.128).
 5853atm(d191,d191_21,h,3,0.128).
 5854atm(d191,d191_22,h,3,0.128).
 5855atm(d191,d191_23,h,3,0.128).
 5856atm(d191,d191_24,h,3,0.098).
 5857atm(d191,d191_25,h,3,0.128).
 5858atm(d191,d191_26,h,3,0.128).
 5859atm(d191,d191_27,h,3,0.098).
 5860atm(d191,d191_28,n,38,0.797).
 5861atm(d191,d191_29,o,40,-0.403).
 5862atm(d191,d191_30,o,40,-0.403).
 5863
 5864bond(d191,d191_1,d191_2,7).
 5865bond(d191,d191_2,d191_3,7).
 5866bond(d191,d191_3,d191_4,7).
 5867bond(d191,d191_4,d191_5,7).
 5868bond(d191,d191_5,d191_6,7).
 5869bond(d191,d191_6,d191_1,7).
 5870bond(d191,d191_4,d191_7,7).
 5871bond(d191,d191_7,d191_8,7).
 5872bond(d191,d191_8,d191_9,7).
 5873bond(d191,d191_9,d191_10,7).
 5874bond(d191,d191_10,d191_5,7).
 5875bond(d191,d191_7,d191_11,7).
 5876bond(d191,d191_11,d191_12,7).
 5877bond(d191,d191_12,d191_13,7).
 5878bond(d191,d191_13,d191_14,7).
 5879bond(d191,d191_14,d191_8,7).
 5880bond(d191,d191_3,d191_15,7).
 5881bond(d191,d191_15,d191_16,7).
 5882bond(d191,d191_16,d191_11,7).
 5883bond(d191,d191_12,d191_17,7).
 5884bond(d191,d191_16,d191_18,7).
 5885bond(d191,d191_18,d191_17,7).
 5886bond(d191,d191_1,d191_19,1).
 5887bond(d191,d191_2,d191_20,1).
 5888bond(d191,d191_6,d191_21,1).
 5889bond(d191,d191_9,d191_22,1).
 5890bond(d191,d191_10,d191_23,1).
 5891bond(d191,d191_13,d191_24,1).
 5892bond(d191,d191_14,d191_25,1).
 5893bond(d191,d191_15,d191_26,1).
 5894bond(d191,d191_17,d191_27,1).
 5895bond(d191,d191_18,d191_28,1).
 5896bond(d191,d191_28,d191_29,2).
 5897bond(d191,d191_28,d191_30,2).
 5898atm(d192,d192_1,c,22,-0.113).
 5899atm(d192,d192_2,c,22,-0.113).
 5900atm(d192,d192_3,c,27,0.017).
 5901atm(d192,d192_4,c,27,-0.083).
 5902atm(d192,d192_5,c,22,-0.113).
 5903atm(d192,d192_6,c,22,-0.113).
 5904atm(d192,d192_7,h,3,0.146).
 5905atm(d192,d192_8,h,3,0.146).
 5906atm(d192,d192_9,h,3,0.146).
 5907atm(d192,d192_10,h,3,0.146).
 5908atm(d192,d192_11,c,22,-0.113).
 5909atm(d192,d192_12,c,22,-0.113).
 5910atm(d192,d192_13,c,195,-0.083).
 5911atm(d192,d192_14,c,195,-0.083).
 5912atm(d192,d192_15,h,3,0.146).
 5913atm(d192,d192_16,c,27,-0.083).
 5914atm(d192,d192_17,c,27,0.017).
 5915atm(d192,d192_18,c,22,-0.113).
 5916atm(d192,d192_19,c,22,-0.113).
 5917atm(d192,d192_20,h,3,0.146).
 5918atm(d192,d192_21,h,3,0.146).
 5919atm(d192,d192_22,c,22,-0.113).
 5920atm(d192,d192_23,c,22,-0.113).
 5921atm(d192,d192_24,c,22,-0.113).
 5922atm(d192,d192_25,c,22,-0.113).
 5923atm(d192,d192_26,h,3,0.146).
 5924atm(d192,d192_27,h,3,0.146).
 5925atm(d192,d192_28,h,3,0.146).
 5926atm(d192,d192_29,h,3,0.146).
 5927atm(d192,d192_30,n,38,0.816).
 5928atm(d192,d192_31,o,40,-0.384).
 5929atm(d192,d192_32,o,40,-0.384).
 5930
 5931bond(d192,d192_1,d192_2,7).
 5932bond(d192,d192_2,d192_3,7).
 5933bond(d192,d192_3,d192_4,7).
 5934bond(d192,d192_4,d192_5,7).
 5935bond(d192,d192_5,d192_6,7).
 5936bond(d192,d192_6,d192_1,7).
 5937bond(d192,d192_1,d192_7,1).
 5938bond(d192,d192_2,d192_8,1).
 5939bond(d192,d192_5,d192_9,1).
 5940bond(d192,d192_6,d192_10,1).
 5941bond(d192,d192_3,d192_11,7).
 5942bond(d192,d192_11,d192_12,7).
 5943bond(d192,d192_12,d192_13,7).
 5944bond(d192,d192_13,d192_14,7).
 5945bond(d192,d192_14,d192_4,7).
 5946bond(d192,d192_11,d192_15,1).
 5947bond(d192,d192_13,d192_16,7).
 5948bond(d192,d192_16,d192_17,7).
 5949bond(d192,d192_17,d192_18,7).
 5950bond(d192,d192_18,d192_19,7).
 5951bond(d192,d192_19,d192_14,7).
 5952bond(d192,d192_18,d192_20,1).
 5953bond(d192,d192_19,d192_21,1).
 5954bond(d192,d192_16,d192_22,7).
 5955bond(d192,d192_22,d192_23,7).
 5956bond(d192,d192_23,d192_24,7).
 5957bond(d192,d192_24,d192_25,7).
 5958bond(d192,d192_25,d192_17,7).
 5959bond(d192,d192_22,d192_26,1).
 5960bond(d192,d192_23,d192_27,1).
 5961bond(d192,d192_24,d192_28,1).
 5962bond(d192,d192_25,d192_29,1).
 5963bond(d192,d192_12,d192_30,1).
 5964bond(d192,d192_30,d192_31,2).
 5965bond(d192,d192_30,d192_32,2).
 5966atm(d193,d193_1,c,22,-0.113).
 5967atm(d193,d193_2,c,22,-0.113).
 5968atm(d193,d193_3,c,27,0.017).
 5969atm(d193,d193_4,c,27,-0.083).
 5970atm(d193,d193_5,c,22,-0.113).
 5971atm(d193,d193_6,c,22,-0.113).
 5972atm(d193,d193_7,h,3,0.146).
 5973atm(d193,d193_8,h,3,0.146).
 5974atm(d193,d193_9,h,3,0.146).
 5975atm(d193,d193_10,h,3,0.146).
 5976atm(d193,d193_11,c,22,-0.113).
 5977atm(d193,d193_12,c,22,-0.113).
 5978atm(d193,d193_13,c,195,-0.083).
 5979atm(d193,d193_14,c,195,-0.083).
 5980atm(d193,d193_15,h,3,0.146).
 5981atm(d193,d193_16,c,27,-0.083).
 5982atm(d193,d193_17,c,27,0.017).
 5983atm(d193,d193_18,c,22,-0.113).
 5984atm(d193,d193_19,c,22,-0.113).
 5985atm(d193,d193_20,h,3,0.146).
 5986atm(d193,d193_21,h,3,0.146).
 5987atm(d193,d193_22,c,22,-0.113).
 5988atm(d193,d193_23,c,22,-0.113).
 5989atm(d193,d193_24,c,22,-0.113).
 5990atm(d193,d193_25,c,22,-0.113).
 5991atm(d193,d193_26,h,3,0.146).
 5992atm(d193,d193_27,h,3,0.146).
 5993atm(d193,d193_28,h,3,0.146).
 5994atm(d193,d193_29,h,3,0.146).
 5995atm(d193,d193_30,n,38,0.816).
 5996atm(d193,d193_31,o,40,-0.384).
 5997atm(d193,d193_32,o,40,-0.384).
 5998
 5999bond(d193,d193_1,d193_2,7).
 6000bond(d193,d193_2,d193_3,7).
 6001bond(d193,d193_3,d193_4,7).
 6002bond(d193,d193_4,d193_5,7).
 6003bond(d193,d193_5,d193_6,7).
 6004bond(d193,d193_6,d193_1,7).
 6005bond(d193,d193_1,d193_7,1).
 6006bond(d193,d193_2,d193_8,1).
 6007bond(d193,d193_5,d193_9,1).
 6008bond(d193,d193_6,d193_10,1).
 6009bond(d193,d193_3,d193_11,7).
 6010bond(d193,d193_11,d193_12,7).
 6011bond(d193,d193_12,d193_13,7).
 6012bond(d193,d193_13,d193_14,7).
 6013bond(d193,d193_14,d193_4,7).
 6014bond(d193,d193_11,d193_15,1).
 6015bond(d193,d193_13,d193_16,7).
 6016bond(d193,d193_16,d193_17,7).
 6017bond(d193,d193_17,d193_18,7).
 6018bond(d193,d193_18,d193_19,7).
 6019bond(d193,d193_19,d193_14,7).
 6020bond(d193,d193_18,d193_20,1).
 6021bond(d193,d193_19,d193_21,1).
 6022bond(d193,d193_16,d193_22,7).
 6023bond(d193,d193_22,d193_23,7).
 6024bond(d193,d193_23,d193_24,7).
 6025bond(d193,d193_24,d193_25,7).
 6026bond(d193,d193_25,d193_17,7).
 6027bond(d193,d193_22,d193_26,1).
 6028bond(d193,d193_23,d193_27,1).
 6029bond(d193,d193_25,d193_28,1).
 6030bond(d193,d193_12,d193_29,1).
 6031bond(d193,d193_24,d193_30,1).
 6032bond(d193,d193_30,d193_31,2).
 6033bond(d193,d193_30,d193_32,2).
 6034atm(d194,d194_1,c,22,-0.132).
 6035atm(d194,d194_2,c,22,-0.132).
 6036atm(d194,d194_3,c,22,-0.132).
 6037atm(d194,d194_4,c,22,0.198).
 6038atm(d194,d194_5,c,22,0.198).
 6039atm(d194,d194_6,c,22,-0.132).
 6040atm(d194,d194_7,h,3,0.128).
 6041atm(d194,d194_8,h,3,0.128).
 6042atm(d194,d194_9,h,3,0.128).
 6043atm(d194,d194_10,n,32,-0.781).
 6044atm(d194,d194_11,n,38,0.799).
 6045atm(d194,d194_12,h,1,0.328).
 6046atm(d194,d194_13,h,1,0.328).
 6047atm(d194,d194_14,o,40,-0.401).
 6048atm(d194,d194_15,o,40,-0.401).
 6049atm(d194,d194_16,n,32,-0.781).
 6050atm(d194,d194_17,h,1,0.329).
 6051atm(d194,d194_18,h,1,0.328).
 6052
 6053bond(d194,d194_1,d194_2,7).
 6054bond(d194,d194_2,d194_3,7).
 6055bond(d194,d194_3,d194_4,7).
 6056bond(d194,d194_4,d194_5,7).
 6057bond(d194,d194_5,d194_6,7).
 6058bond(d194,d194_6,d194_1,7).
 6059bond(d194,d194_1,d194_7,1).
 6060bond(d194,d194_3,d194_8,1).
 6061bond(d194,d194_6,d194_9,1).
 6062bond(d194,d194_5,d194_10,1).
 6063bond(d194,d194_2,d194_11,1).
 6064bond(d194,d194_10,d194_12,1).
 6065bond(d194,d194_10,d194_13,1).
 6066bond(d194,d194_11,d194_14,2).
 6067bond(d194,d194_11,d194_15,2).
 6068bond(d194,d194_4,d194_16,1).
 6069bond(d194,d194_16,d194_17,1).
 6070bond(d194,d194_16,d194_18,1).
 6071atm(d195,d195_1,c,22,-0.05).
 6072atm(d195,d195_2,c,22,-0.05).
 6073atm(d195,d195_3,c,22,-0.05).
 6074atm(d195,d195_4,c,22,-0.05).
 6075atm(d195,d195_5,c,22,-0.05).
 6076atm(d195,d195_6,c,22,-0.05).
 6077atm(d195,d195_7,h,3,0.21).
 6078atm(d195,d195_8,h,3,0.21).
 6079atm(d195,d195_9,cl,93,-0.12).
 6080atm(d195,d195_10,cl,93,-0.12).
 6081atm(d195,d195_11,cl,93,-0.12).
 6082atm(d195,d195_12,n,38,0.88).
 6083atm(d195,d195_13,o,40,-0.32).
 6084atm(d195,d195_14,o,40,-0.32).
 6085
 6086bond(d195,d195_1,d195_2,7).
 6087bond(d195,d195_2,d195_3,7).
 6088bond(d195,d195_3,d195_4,7).
 6089bond(d195,d195_4,d195_5,7).
 6090bond(d195,d195_5,d195_6,7).
 6091bond(d195,d195_6,d195_1,7).
 6092bond(d195,d195_1,d195_7,1).
 6093bond(d195,d195_6,d195_8,1).
 6094bond(d195,d195_5,d195_9,1).
 6095bond(d195,d195_4,d195_10,1).
 6096bond(d195,d195_3,d195_11,1).
 6097bond(d195,d195_2,d195_12,1).
 6098bond(d195,d195_12,d195_13,2).
 6099bond(d195,d195_12,d195_14,2).
 6100atm(d196,d196_1,c,22,-0.137).
 6101atm(d196,d196_2,c,22,-0.137).
 6102atm(d196,d196_3,c,22,0.193).
 6103atm(d196,d196_4,c,29,-0.007).
 6104atm(d196,d196_5,c,22,-0.137).
 6105atm(d196,d196_6,c,22,-0.137).
 6106atm(d196,d196_7,h,3,0.123).
 6107atm(d196,d196_8,h,3,0.123).
 6108atm(d196,d196_9,h,3,0.123).
 6109atm(d196,d196_10,h,3,0.123).
 6110atm(d196,d196_11,c,22,0.193).
 6111atm(d196,d196_12,c,22,-0.137).
 6112atm(d196,d196_13,c,22,-0.137).
 6113atm(d196,d196_14,c,22,-0.137).
 6114atm(d196,d196_15,c,22,-0.137).
 6115atm(d196,d196_16,c,29,-0.007).
 6116atm(d196,d196_17,h,3,0.123).
 6117atm(d196,d196_18,h,3,0.123).
 6118atm(d196,d196_19,n,32,-0.408).
 6119atm(d196,d196_20,h,1,0.293).
 6120atm(d196,d196_21,h,3,0.123).
 6121atm(d196,d196_22,n,38,0.792).
 6122atm(d196,d196_23,o,40,-0.407).
 6123atm(d196,d196_24,o,40,-0.407).
 6124
 6125bond(d196,d196_1,d196_2,7).
 6126bond(d196,d196_2,d196_3,7).
 6127bond(d196,d196_3,d196_4,7).
 6128bond(d196,d196_4,d196_5,7).
 6129bond(d196,d196_5,d196_6,7).
 6130bond(d196,d196_6,d196_1,7).
 6131bond(d196,d196_1,d196_7,1).
 6132bond(d196,d196_2,d196_8,1).
 6133bond(d196,d196_5,d196_9,1).
 6134bond(d196,d196_6,d196_10,1).
 6135bond(d196,d196_11,d196_12,7).
 6136bond(d196,d196_12,d196_13,7).
 6137bond(d196,d196_13,d196_14,7).
 6138bond(d196,d196_14,d196_15,7).
 6139bond(d196,d196_15,d196_16,7).
 6140bond(d196,d196_16,d196_11,7).
 6141bond(d196,d196_12,d196_17,1).
 6142bond(d196,d196_13,d196_18,1).
 6143bond(d196,d196_4,d196_16,1).
 6144bond(d196,d196_3,d196_19,1).
 6145bond(d196,d196_19,d196_11,1).
 6146bond(d196,d196_19,d196_20,1).
 6147bond(d196,d196_14,d196_21,1).
 6148bond(d196,d196_15,d196_22,1).
 6149bond(d196,d196_22,d196_23,2).
 6150bond(d196,d196_22,d196_24,2).
 6151atm(d197,d197_1,c,22,-0.086).
 6152atm(d197,d197_2,c,22,-0.086).
 6153atm(d197,d197_3,c,26,-0.056).
 6154atm(d197,d197_4,c,26,-0.056).
 6155atm(d197,d197_5,c,22,-0.086).
 6156atm(d197,d197_6,c,22,-0.086).
 6157atm(d197,d197_7,n,34,-0.496).
 6158atm(d197,d197_8,c,21,0.044).
 6159atm(d197,d197_9,n,34,-0.496).
 6160atm(d197,d197_10,c,10,0.294).
 6161atm(d197,d197_11,n,38,0.844).
 6162atm(d197,d197_12,o,40,-0.356).
 6163atm(d197,d197_13,o,40,-0.356).
 6164atm(d197,d197_14,h,3,0.174).
 6165atm(d197,d197_15,h,3,0.174).
 6166atm(d197,d197_16,h,3,0.174).
 6167atm(d197,d197_17,h,3,0.174).
 6168atm(d197,d197_18,h,3,0.094).
 6169atm(d197,d197_19,h,3,0.094).
 6170atm(d197,d197_20,h,3,0.094).
 6171
 6172bond(d197,d197_1,d197_2,7).
 6173bond(d197,d197_2,d197_3,7).
 6174bond(d197,d197_3,d197_4,7).
 6175bond(d197,d197_4,d197_5,7).
 6176bond(d197,d197_5,d197_6,7).
 6177bond(d197,d197_6,d197_1,7).
 6178bond(d197,d197_3,d197_7,7).
 6179bond(d197,d197_7,d197_8,7).
 6180bond(d197,d197_4,d197_9,7).
 6181bond(d197,d197_9,d197_8,7).
 6182bond(d197,d197_7,d197_10,1).
 6183bond(d197,d197_8,d197_11,1).
 6184bond(d197,d197_11,d197_12,2).
 6185bond(d197,d197_11,d197_13,2).
 6186bond(d197,d197_1,d197_14,1).
 6187bond(d197,d197_2,d197_15,1).
 6188bond(d197,d197_5,d197_16,1).
 6189bond(d197,d197_6,d197_17,1).
 6190bond(d197,d197_10,d197_18,1).
 6191bond(d197,d197_10,d197_19,1).
 6192bond(d197,d197_10,d197_20,1).
 6193atm(d2,d2_1,c,22,-0.097).
 6194atm(d2,d2_2,c,22,-0.097).
 6195atm(d2,d2_3,c,27,-0.067).
 6196atm(d2,d2_4,c,27,0.033).
 6197atm(d2,d2_5,c,22,-0.097).
 6198atm(d2,d2_6,c,22,-0.097).
 6199atm(d2,d2_7,h,3,0.162).
 6200atm(d2,d2_8,h,3,0.162).
 6201atm(d2,d2_9,h,3,0.163).
 6202atm(d2,d2_10,n,35,-0.738).
 6203atm(d2,d2_11,c,22,0.282).
 6204atm(d2,d2_12,c,22,-0.097).
 6205atm(d2,d2_13,c,22,-0.097).
 6206atm(d2,d2_14,h,3,0.163).
 6207atm(d2,d2_15,h,3,0.163).
 6208atm(d2,d2_16,h,3,0.163).
 6209atm(d2,d2_17,n,38,0.832).
 6210atm(d2,d2_18,o,40,-0.368).
 6211atm(d2,d2_19,o,40,-0.368).
 6212
 6213bond(d2,d2_1,d2_2,7).
 6214bond(d2,d2_2,d2_3,7).
 6215bond(d2,d2_3,d2_4,7).
 6216bond(d2,d2_4,d2_5,7).
 6217bond(d2,d2_5,d2_6,7).
 6218bond(d2,d2_6,d2_1,7).
 6219bond(d2,d2_1,d2_7,1).
 6220bond(d2,d2_5,d2_8,1).
 6221bond(d2,d2_6,d2_9,1).
 6222bond(d2,d2_3,d2_10,7).
 6223bond(d2,d2_10,d2_11,7).
 6224bond(d2,d2_11,d2_12,7).
 6225bond(d2,d2_12,d2_13,7).
 6226bond(d2,d2_13,d2_4,7).
 6227bond(d2,d2_11,d2_14,1).
 6228bond(d2,d2_12,d2_15,1).
 6229bond(d2,d2_13,d2_16,1).
 6230bond(d2,d2_17,d2_2,1).
 6231bond(d2,d2_17,d2_18,2).
 6232bond(d2,d2_17,d2_19,2).
 6233atm(d20,d20_1,c,22,-0.111).
 6234atm(d20,d20_2,c,22,-0.111).
 6235atm(d20,d20_3,c,22,-0.111).
 6236atm(d20,d20_4,c,29,0.019).
 6237atm(d20,d20_5,c,22,-0.111).
 6238atm(d20,d20_6,c,22,-0.111).
 6239atm(d20,d20_7,c,22,-0.111).
 6240atm(d20,d20_8,c,22,-0.111).
 6241atm(d20,d20_9,c,22,-0.111).
 6242atm(d20,d20_10,c,22,-0.111).
 6243atm(d20,d20_11,c,22,-0.111).
 6244atm(d20,d20_12,c,29,0.019).
 6245atm(d20,d20_13,c,10,0.019).
 6246atm(d20,d20_14,n,38,0.818).
 6247atm(d20,d20_15,o,40,-0.381).
 6248atm(d20,d20_16,o,40,-0.382).
 6249atm(d20,d20_17,h,3,0.149).
 6250atm(d20,d20_18,h,3,0.149).
 6251atm(d20,d20_19,h,3,0.149).
 6252atm(d20,d20_20,h,3,0.149).
 6253atm(d20,d20_21,h,3,0.149).
 6254atm(d20,d20_22,h,3,0.149).
 6255atm(d20,d20_23,h,3,0.069).
 6256atm(d20,d20_24,h,3,0.069).
 6257atm(d20,d20_25,c,19,0.448).
 6258atm(d20,d20_26,n,31,-0.482).
 6259
 6260bond(d20,d20_1,d20_2,7).
 6261bond(d20,d20_2,d20_3,7).
 6262bond(d20,d20_3,d20_4,7).
 6263bond(d20,d20_4,d20_5,7).
 6264bond(d20,d20_5,d20_6,7).
 6265bond(d20,d20_6,d20_1,7).
 6266bond(d20,d20_7,d20_8,7).
 6267bond(d20,d20_8,d20_9,7).
 6268bond(d20,d20_9,d20_10,7).
 6269bond(d20,d20_10,d20_11,7).
 6270bond(d20,d20_11,d20_12,7).
 6271bond(d20,d20_12,d20_7,7).
 6272bond(d20,d20_4,d20_12,1).
 6273bond(d20,d20_3,d20_13,1).
 6274bond(d20,d20_13,d20_7,1).
 6275bond(d20,d20_1,d20_14,1).
 6276bond(d20,d20_14,d20_15,2).
 6277bond(d20,d20_14,d20_16,2).
 6278bond(d20,d20_2,d20_17,1).
 6279bond(d20,d20_5,d20_18,1).
 6280bond(d20,d20_6,d20_19,1).
 6281bond(d20,d20_8,d20_20,1).
 6282bond(d20,d20_10,d20_21,1).
 6283bond(d20,d20_11,d20_22,1).
 6284bond(d20,d20_13,d20_23,1).
 6285bond(d20,d20_13,d20_24,1).
 6286bond(d20,d20_9,d20_25,1).
 6287bond(d20,d20_25,d20_26,3).
 6288atm(d21,d21_1,c,22,-0.12).
 6289atm(d21,d21_2,c,22,-0.12).
 6290atm(d21,d21_3,c,22,-0.12).
 6291atm(d21,d21_4,c,29,0.01).
 6292atm(d21,d21_5,c,22,-0.12).
 6293atm(d21,d21_6,c,22,-0.12).
 6294atm(d21,d21_7,h,3,0.14).
 6295atm(d21,d21_8,h,3,0.14).
 6296atm(d21,d21_9,h,3,0.14).
 6297atm(d21,d21_10,h,3,0.14).
 6298atm(d21,d21_11,c,29,0.01).
 6299atm(d21,d21_12,c,22,-0.12).
 6300atm(d21,d21_13,c,22,-0.12).
 6301atm(d21,d21_14,c,22,-0.12).
 6302atm(d21,d21_15,c,22,-0.12).
 6303atm(d21,d21_16,c,22,-0.12).
 6304atm(d21,d21_17,h,3,0.14).
 6305atm(d21,d21_18,h,3,0.14).
 6306atm(d21,d21_19,h,3,0.14).
 6307atm(d21,d21_20,h,3,0.14).
 6308atm(d21,d21_21,n,38,0.81).
 6309atm(d21,d21_22,n,38,0.81).
 6310atm(d21,d21_23,o,40,-0.39).
 6311atm(d21,d21_24,o,40,-0.39).
 6312atm(d21,d21_25,o,40,-0.39).
 6313atm(d21,d21_26,o,40,-0.39).
 6314
 6315bond(d21,d21_1,d21_2,7).
 6316bond(d21,d21_2,d21_3,7).
 6317bond(d21,d21_3,d21_4,7).
 6318bond(d21,d21_4,d21_5,7).
 6319bond(d21,d21_5,d21_6,7).
 6320bond(d21,d21_6,d21_1,7).
 6321bond(d21,d21_1,d21_7,1).
 6322bond(d21,d21_2,d21_8,1).
 6323bond(d21,d21_3,d21_9,1).
 6324bond(d21,d21_5,d21_10,1).
 6325bond(d21,d21_11,d21_12,7).
 6326bond(d21,d21_12,d21_13,7).
 6327bond(d21,d21_13,d21_14,7).
 6328bond(d21,d21_14,d21_15,7).
 6329bond(d21,d21_15,d21_16,7).
 6330bond(d21,d21_16,d21_11,7).
 6331bond(d21,d21_12,d21_17,1).
 6332bond(d21,d21_13,d21_18,1).
 6333bond(d21,d21_15,d21_19,1).
 6334bond(d21,d21_16,d21_20,1).
 6335bond(d21,d21_4,d21_11,1).
 6336bond(d21,d21_21,d21_14,1).
 6337bond(d21,d21_22,d21_6,1).
 6338bond(d21,d21_23,d21_21,2).
 6339bond(d21,d21_24,d21_21,2).
 6340bond(d21,d21_25,d21_22,2).
 6341bond(d21,d21_22,d21_26,2).
 6342atm(d22,d22_1,c,22,-0.111).
 6343atm(d22,d22_2,c,22,-0.111).
 6344atm(d22,d22_3,c,22,-0.111).
 6345atm(d22,d22_4,c,29,0.019).
 6346atm(d22,d22_5,c,22,-0.111).
 6347atm(d22,d22_6,c,22,-0.111).
 6348atm(d22,d22_7,c,22,-0.111).
 6349atm(d22,d22_8,c,22,-0.111).
 6350atm(d22,d22_9,c,22,-0.111).
 6351atm(d22,d22_10,c,22,-0.111).
 6352atm(d22,d22_11,c,22,-0.111).
 6353atm(d22,d22_12,c,29,0.019).
 6354atm(d22,d22_13,c,10,0.019).
 6355atm(d22,d22_14,i,95,-0.031).
 6356atm(d22,d22_15,n,38,0.818).
 6357atm(d22,d22_16,o,40,-0.382).
 6358atm(d22,d22_17,o,40,-0.382).
 6359atm(d22,d22_18,h,3,0.148).
 6360atm(d22,d22_19,h,3,0.149).
 6361atm(d22,d22_20,h,3,0.149).
 6362atm(d22,d22_21,h,3,0.149).
 6363atm(d22,d22_22,h,3,0.148).
 6364atm(d22,d22_23,h,3,0.149).
 6365atm(d22,d22_24,h,3,0.069).
 6366atm(d22,d22_25,h,3,0.069).
 6367
 6368bond(d22,d22_1,d22_2,7).
 6369bond(d22,d22_2,d22_3,7).
 6370bond(d22,d22_3,d22_4,7).
 6371bond(d22,d22_4,d22_5,7).
 6372bond(d22,d22_5,d22_6,7).
 6373bond(d22,d22_6,d22_1,7).
 6374bond(d22,d22_7,d22_8,7).
 6375bond(d22,d22_8,d22_9,7).
 6376bond(d22,d22_9,d22_10,7).
 6377bond(d22,d22_10,d22_11,7).
 6378bond(d22,d22_11,d22_12,7).
 6379bond(d22,d22_12,d22_7,7).
 6380bond(d22,d22_4,d22_12,1).
 6381bond(d22,d22_3,d22_13,1).
 6382bond(d22,d22_13,d22_7,1).
 6383bond(d22,d22_9,d22_14,1).
 6384bond(d22,d22_1,d22_15,1).
 6385bond(d22,d22_15,d22_16,2).
 6386bond(d22,d22_15,d22_17,2).
 6387bond(d22,d22_2,d22_18,1).
 6388bond(d22,d22_5,d22_19,1).
 6389bond(d22,d22_6,d22_20,1).
 6390bond(d22,d22_8,d22_21,1).
 6391bond(d22,d22_10,d22_22,1).
 6392bond(d22,d22_11,d22_23,1).
 6393bond(d22,d22_13,d22_24,1).
 6394bond(d22,d22_13,d22_25,1).
 6395atm(d23,d23_1,c,22,-0.115).
 6396atm(d23,d23_2,c,22,-0.115).
 6397atm(d23,d23_3,c,22,-0.115).
 6398atm(d23,d23_4,c,27,-0.085).
 6399atm(d23,d23_5,c,27,0.015).
 6400atm(d23,d23_6,c,22,-0.115).
 6401atm(d23,d23_7,c,195,0.015).
 6402atm(d23,d23_8,c,27,-0.085).
 6403atm(d23,d23_9,c,22,-0.115).
 6404atm(d23,d23_10,c,22,-0.115).
 6405atm(d23,d23_11,c,22,-0.115).
 6406atm(d23,d23_12,c,27,0.015).
 6407atm(d23,d23_13,c,27,-0.085).
 6408atm(d23,d23_14,c,25,-0.085).
 6409atm(d23,d23_15,c,22,-0.115).
 6410atm(d23,d23_16,c,22,-0.115).
 6411atm(d23,d23_17,c,22,-0.115).
 6412atm(d23,d23_18,c,26,-0.085).
 6413atm(d23,d23_19,c,21,-0.115).
 6414atm(d23,d23_20,c,21,0.015).
 6415atm(d23,d23_21,h,3,0.144).
 6416atm(d23,d23_22,h,3,0.144).
 6417atm(d23,d23_23,h,3,0.144).
 6418atm(d23,d23_24,h,3,0.145).
 6419atm(d23,d23_25,h,3,0.145).
 6420atm(d23,d23_26,h,3,0.145).
 6421atm(d23,d23_27,h,3,0.145).
 6422atm(d23,d23_28,h,3,0.144).
 6423atm(d23,d23_29,h,3,0.144).
 6424atm(d23,d23_30,h,3,0.144).
 6425atm(d23,d23_31,h,3,0.144).
 6426atm(d23,d23_32,n,38,0.814).
 6427atm(d23,d23_33,o,40,-0.386).
 6428atm(d23,d23_34,o,40,-0.386).
 6429
 6430bond(d23,d23_1,d23_2,7).
 6431bond(d23,d23_2,d23_3,7).
 6432bond(d23,d23_3,d23_4,7).
 6433bond(d23,d23_4,d23_5,7).
 6434bond(d23,d23_5,d23_6,7).
 6435bond(d23,d23_6,d23_1,7).
 6436bond(d23,d23_4,d23_7,7).
 6437bond(d23,d23_7,d23_8,7).
 6438bond(d23,d23_8,d23_9,7).
 6439bond(d23,d23_9,d23_10,7).
 6440bond(d23,d23_10,d23_5,7).
 6441bond(d23,d23_7,d23_11,7).
 6442bond(d23,d23_11,d23_12,7).
 6443bond(d23,d23_12,d23_13,7).
 6444bond(d23,d23_13,d23_14,7).
 6445bond(d23,d23_14,d23_8,7).
 6446bond(d23,d23_12,d23_15,7).
 6447bond(d23,d23_15,d23_16,7).
 6448bond(d23,d23_16,d23_17,7).
 6449bond(d23,d23_17,d23_18,7).
 6450bond(d23,d23_18,d23_13,7).
 6451bond(d23,d23_19,d23_14,7).
 6452bond(d23,d23_19,d23_20,7).
 6453bond(d23,d23_20,d23_18,7).
 6454bond(d23,d23_1,d23_21,1).
 6455bond(d23,d23_2,d23_22,1).
 6456bond(d23,d23_3,d23_23,1).
 6457bond(d23,d23_6,d23_24,1).
 6458bond(d23,d23_9,d23_25,1).
 6459bond(d23,d23_10,d23_26,1).
 6460bond(d23,d23_11,d23_27,1).
 6461bond(d23,d23_15,d23_28,1).
 6462bond(d23,d23_16,d23_29,1).
 6463bond(d23,d23_17,d23_30,1).
 6464bond(d23,d23_19,d23_31,1).
 6465bond(d23,d23_32,d23_20,1).
 6466bond(d23,d23_33,d23_32,2).
 6467bond(d23,d23_32,d23_34,2).
 6468atm(d24,d24_1,c,22,-0.111).
 6469atm(d24,d24_2,c,22,-0.111).
 6470atm(d24,d24_3,c,27,0.019).
 6471atm(d24,d24_4,c,27,-0.081).
 6472atm(d24,d24_5,c,27,-0.081).
 6473atm(d24,d24_6,c,27,0.019).
 6474atm(d24,d24_7,h,3,0.15).
 6475atm(d24,d24_8,h,3,0.15).
 6476atm(d24,d24_9,c,22,-0.111).
 6477atm(d24,d24_10,c,22,-0.111).
 6478atm(d24,d24_11,c,27,0.019).
 6479atm(d24,d24_12,c,27,-0.081).
 6480atm(d24,d24_13,h,3,0.149).
 6481atm(d24,d24_14,h,3,0.149).
 6482atm(d24,d24_15,c,22,-0.111).
 6483atm(d24,d24_16,c,22,-0.111).
 6484atm(d24,d24_17,c,27,0.019).
 6485atm(d24,d24_18,c,27,-0.081).
 6486atm(d24,d24_19,h,3,0.149).
 6487atm(d24,d24_20,h,3,0.149).
 6488atm(d24,d24_21,c,22,-0.111).
 6489atm(d24,d24_22,c,22,-0.111).
 6490atm(d24,d24_23,c,27,0.019).
 6491atm(d24,d24_24,c,27,-0.081).
 6492atm(d24,d24_25,h,3,0.149).
 6493atm(d24,d24_26,c,22,-0.111).
 6494atm(d24,d24_27,c,22,-0.111).
 6495atm(d24,d24_28,c,27,0.019).
 6496atm(d24,d24_29,c,27,-0.081).
 6497atm(d24,d24_30,h,3,0.15).
 6498atm(d24,d24_31,h,3,0.15).
 6499atm(d24,d24_32,c,22,-0.111).
 6500atm(d24,d24_33,c,22,-0.111).
 6501atm(d24,d24_34,h,3,0.15).
 6502atm(d24,d24_35,h,3,0.149).
 6503atm(d24,d24_36,n,38,0.82).
 6504atm(d24,d24_37,o,40,-0.38).
 6505atm(d24,d24_38,o,40,-0.38).
 6506
 6507bond(d24,d24_1,d24_2,7).
 6508bond(d24,d24_2,d24_3,7).
 6509bond(d24,d24_3,d24_4,7).
 6510bond(d24,d24_4,d24_5,7).
 6511bond(d24,d24_5,d24_6,7).
 6512bond(d24,d24_6,d24_1,7).
 6513bond(d24,d24_1,d24_7,1).
 6514bond(d24,d24_2,d24_8,1).
 6515bond(d24,d24_3,d24_9,7).
 6516bond(d24,d24_9,d24_10,7).
 6517bond(d24,d24_10,d24_11,7).
 6518bond(d24,d24_11,d24_12,7).
 6519bond(d24,d24_12,d24_4,7).
 6520bond(d24,d24_9,d24_13,1).
 6521bond(d24,d24_10,d24_14,1).
 6522bond(d24,d24_11,d24_15,7).
 6523bond(d24,d24_15,d24_16,7).
 6524bond(d24,d24_16,d24_17,7).
 6525bond(d24,d24_17,d24_18,7).
 6526bond(d24,d24_18,d24_12,7).
 6527bond(d24,d24_15,d24_19,1).
 6528bond(d24,d24_16,d24_20,1).
 6529bond(d24,d24_17,d24_21,7).
 6530bond(d24,d24_21,d24_22,7).
 6531bond(d24,d24_22,d24_23,7).
 6532bond(d24,d24_23,d24_24,7).
 6533bond(d24,d24_24,d24_18,7).
 6534bond(d24,d24_21,d24_25,1).
 6535bond(d24,d24_23,d24_26,7).
 6536bond(d24,d24_26,d24_27,7).
 6537bond(d24,d24_27,d24_28,7).
 6538bond(d24,d24_28,d24_29,7).
 6539bond(d24,d24_29,d24_24,7).
 6540bond(d24,d24_26,d24_30,1).
 6541bond(d24,d24_27,d24_31,1).
 6542bond(d24,d24_5,d24_29,7).
 6543bond(d24,d24_28,d24_32,7).
 6544bond(d24,d24_32,d24_33,7).
 6545bond(d24,d24_33,d24_6,7).
 6546bond(d24,d24_32,d24_34,1).
 6547bond(d24,d24_33,d24_35,1).
 6548bond(d24,d24_36,d24_22,1).
 6549bond(d24,d24_36,d24_37,2).
 6550bond(d24,d24_36,d24_38,2).
 6551atm(d25,d25_1,c,22,-0.119).
 6552atm(d25,d25_2,c,22,-0.119).
 6553atm(d25,d25_3,c,22,-0.119).
 6554atm(d25,d25_4,c,29,0.011).
 6555atm(d25,d25_5,c,22,-0.119).
 6556atm(d25,d25_6,c,22,-0.119).
 6557atm(d25,d25_7,c,22,-0.119).
 6558atm(d25,d25_8,c,22,-0.119).
 6559atm(d25,d25_9,c,22,0.261).
 6560atm(d25,d25_10,c,22,-0.119).
 6561atm(d25,d25_11,c,22,-0.119).
 6562atm(d25,d25_12,c,29,0.011).
 6563atm(d25,d25_13,c,10,0.011).
 6564atm(d25,d25_14,o,45,-0.638).
 6565atm(d25,d25_15,n,38,0.812).
 6566atm(d25,d25_16,o,40,-0.388).
 6567atm(d25,d25_17,o,40,-0.389).
 6568atm(d25,d25_18,h,3,0.141).
 6569atm(d25,d25_19,h,3,0.141).
 6570atm(d25,d25_20,h,3,0.141).
 6571atm(d25,d25_21,h,3,0.141).
 6572atm(d25,d25_22,h,3,0.141).
 6573atm(d25,d25_23,h,3,0.141).
 6574atm(d25,d25_24,h,8,0.412).
 6575atm(d25,d25_25,h,3,0.061).
 6576atm(d25,d25_26,h,3,0.061).
 6577
 6578bond(d25,d25_1,d25_2,7).
 6579bond(d25,d25_2,d25_3,7).
 6580bond(d25,d25_3,d25_4,7).
 6581bond(d25,d25_4,d25_5,7).
 6582bond(d25,d25_5,d25_6,7).
 6583bond(d25,d25_6,d25_1,7).
 6584bond(d25,d25_7,d25_8,7).
 6585bond(d25,d25_8,d25_9,7).
 6586bond(d25,d25_9,d25_10,7).
 6587bond(d25,d25_10,d25_11,7).
 6588bond(d25,d25_11,d25_12,7).
 6589bond(d25,d25_12,d25_7,7).
 6590bond(d25,d25_4,d25_12,1).
 6591bond(d25,d25_3,d25_13,1).
 6592bond(d25,d25_13,d25_7,1).
 6593bond(d25,d25_9,d25_14,1).
 6594bond(d25,d25_1,d25_15,1).
 6595bond(d25,d25_15,d25_16,2).
 6596bond(d25,d25_15,d25_17,2).
 6597bond(d25,d25_2,d25_18,1).
 6598bond(d25,d25_5,d25_19,1).
 6599bond(d25,d25_6,d25_20,1).
 6600bond(d25,d25_8,d25_21,1).
 6601bond(d25,d25_10,d25_22,1).
 6602bond(d25,d25_11,d25_23,1).
 6603bond(d25,d25_14,d25_24,1).
 6604bond(d25,d25_13,d25_25,1).
 6605bond(d25,d25_13,d25_26,1).
 6606atm(d26,d26_1,c,22,-0.093).
 6607atm(d26,d26_2,c,22,-0.093).
 6608atm(d26,d26_3,c,22,-0.093).
 6609atm(d26,d26_4,c,22,-0.093).
 6610atm(d26,d26_5,c,22,-0.093).
 6611atm(d26,d26_6,c,22,-0.093).
 6612atm(d26,d26_7,h,3,0.167).
 6613atm(d26,d26_8,h,3,0.167).
 6614atm(d26,d26_9,h,3,0.167).
 6615atm(d26,d26_10,cl,93,-0.163).
 6616atm(d26,d26_11,n,38,0.836).
 6617atm(d26,d26_12,n,38,0.836).
 6618atm(d26,d26_13,o,40,-0.363).
 6619atm(d26,d26_14,o,40,-0.363).
 6620atm(d26,d26_15,o,40,-0.363).
 6621atm(d26,d26_16,o,40,-0.363).
 6622
 6623bond(d26,d26_1,d26_2,7).
 6624bond(d26,d26_2,d26_3,7).
 6625bond(d26,d26_3,d26_4,7).
 6626bond(d26,d26_4,d26_5,7).
 6627bond(d26,d26_5,d26_6,7).
 6628bond(d26,d26_6,d26_1,7).
 6629bond(d26,d26_1,d26_7,1).
 6630bond(d26,d26_3,d26_8,1).
 6631bond(d26,d26_6,d26_9,1).
 6632bond(d26,d26_10,d26_5,1).
 6633bond(d26,d26_4,d26_11,1).
 6634bond(d26,d26_2,d26_12,1).
 6635bond(d26,d26_13,d26_11,2).
 6636bond(d26,d26_11,d26_14,2).
 6637bond(d26,d26_15,d26_12,2).
 6638bond(d26,d26_12,d26_16,2).
 6639atm(d27,d27_1,c,22,-0.114).
 6640atm(d27,d27_2,c,22,-0.114).
 6641atm(d27,d27_3,c,27,0.016).
 6642atm(d27,d27_4,c,27,-0.084).
 6643atm(d27,d27_5,c,22,-0.114).
 6644atm(d27,d27_6,c,22,-0.114).
 6645atm(d27,d27_7,h,3,0.145).
 6646atm(d27,d27_8,h,3,0.145).
 6647atm(d27,d27_9,h,3,0.145).
 6648atm(d27,d27_10,h,3,0.145).
 6649atm(d27,d27_11,c,22,-0.114).
 6650atm(d27,d27_12,c,27,0.016).
 6651atm(d27,d27_13,c,195,-0.084).
 6652atm(d27,d27_14,c,195,-0.084).
 6653atm(d27,d27_15,h,3,0.145).
 6654atm(d27,d27_16,c,22,-0.114).
 6655atm(d27,d27_17,c,22,-0.114).
 6656atm(d27,d27_18,c,27,0.016).
 6657atm(d27,d27_19,c,27,-0.084).
 6658atm(d27,d27_20,h,3,0.145).
 6659atm(d27,d27_21,h,3,0.145).
 6660atm(d27,d27_22,c,27,0.016).
 6661atm(d27,d27_23,c,22,-0.114).
 6662atm(d27,d27_24,c,22,-0.114).
 6663atm(d27,d27_25,h,3,0.145).
 6664atm(d27,d27_26,h,3,0.145).
 6665atm(d27,d27_27,c,22,-0.114).
 6666atm(d27,d27_28,c,22,-0.114).
 6667atm(d27,d27_29,c,22,-0.114).
 6668atm(d27,d27_30,h,3,0.145).
 6669atm(d27,d27_31,h,3,0.145).
 6670atm(d27,d27_32,n,38,0.815).
 6671atm(d27,d27_33,o,40,-0.385).
 6672atm(d27,d27_34,o,40,-0.385).
 6673
 6674bond(d27,d27_1,d27_2,7).
 6675bond(d27,d27_2,d27_3,7).
 6676bond(d27,d27_3,d27_4,7).
 6677bond(d27,d27_4,d27_5,7).
 6678bond(d27,d27_5,d27_6,7).
 6679bond(d27,d27_6,d27_1,7).
 6680bond(d27,d27_1,d27_7,1).
 6681bond(d27,d27_2,d27_8,1).
 6682bond(d27,d27_5,d27_9,1).
 6683bond(d27,d27_6,d27_10,1).
 6684bond(d27,d27_3,d27_11,7).
 6685bond(d27,d27_11,d27_12,7).
 6686bond(d27,d27_12,d27_13,7).
 6687bond(d27,d27_13,d27_14,7).
 6688bond(d27,d27_14,d27_4,7).
 6689bond(d27,d27_11,d27_15,1).
 6690bond(d27,d27_12,d27_16,7).
 6691bond(d27,d27_16,d27_17,7).
 6692bond(d27,d27_17,d27_18,7).
 6693bond(d27,d27_18,d27_19,7).
 6694bond(d27,d27_19,d27_13,7).
 6695bond(d27,d27_16,d27_20,1).
 6696bond(d27,d27_17,d27_21,1).
 6697bond(d27,d27_19,d27_22,7).
 6698bond(d27,d27_22,d27_23,7).
 6699bond(d27,d27_23,d27_24,7).
 6700bond(d27,d27_24,d27_14,7).
 6701bond(d27,d27_23,d27_25,1).
 6702bond(d27,d27_24,d27_26,1).
 6703bond(d27,d27_18,d27_27,7).
 6704bond(d27,d27_27,d27_28,7).
 6705bond(d27,d27_28,d27_29,7).
 6706bond(d27,d27_29,d27_22,7).
 6707bond(d27,d27_27,d27_30,1).
 6708bond(d27,d27_28,d27_31,1).
 6709bond(d27,d27_32,d27_29,1).
 6710bond(d27,d27_32,d27_33,2).
 6711bond(d27,d27_32,d27_34,2).
 6712atm(d28,d28_1,c,22,-0.118).
 6713atm(d28,d28_2,c,22,-0.118).
 6714atm(d28,d28_3,c,22,-0.118).
 6715atm(d28,d28_4,c,29,0.012).
 6716atm(d28,d28_5,c,22,-0.118).
 6717atm(d28,d28_6,c,22,-0.118).
 6718atm(d28,d28_7,c,22,-0.118).
 6719atm(d28,d28_8,c,22,-0.118).
 6720atm(d28,d28_9,c,22,0.311).
 6721atm(d28,d28_10,c,22,-0.118).
 6722atm(d28,d28_11,c,22,-0.118).
 6723atm(d28,d28_12,c,29,0.012).
 6724atm(d28,d28_13,c,10,0.012).
 6725atm(d28,d28_14,n,38,0.811).
 6726atm(d28,d28_15,o,40,-0.389).
 6727atm(d28,d28_16,o,40,-0.389).
 6728atm(d28,d28_17,f,92,-0.289).
 6729atm(d28,d28_18,h,3,0.141).
 6730atm(d28,d28_19,h,3,0.141).
 6731atm(d28,d28_20,h,3,0.142).
 6732atm(d28,d28_21,h,3,0.141).
 6733atm(d28,d28_22,h,3,0.141).
 6734atm(d28,d28_23,h,3,0.141).
 6735atm(d28,d28_24,h,3,0.062).
 6736atm(d28,d28_25,h,3,0.062).
 6737
 6738bond(d28,d28_1,d28_2,7).
 6739bond(d28,d28_2,d28_3,7).
 6740bond(d28,d28_3,d28_4,7).
 6741bond(d28,d28_4,d28_5,7).
 6742bond(d28,d28_5,d28_6,7).
 6743bond(d28,d28_6,d28_1,7).
 6744bond(d28,d28_7,d28_8,7).
 6745bond(d28,d28_8,d28_9,7).
 6746bond(d28,d28_9,d28_10,7).
 6747bond(d28,d28_10,d28_11,7).
 6748bond(d28,d28_11,d28_12,7).
 6749bond(d28,d28_12,d28_7,7).
 6750bond(d28,d28_4,d28_12,1).
 6751bond(d28,d28_3,d28_13,1).
 6752bond(d28,d28_13,d28_7,1).
 6753bond(d28,d28_1,d28_14,1).
 6754bond(d28,d28_14,d28_15,2).
 6755bond(d28,d28_14,d28_16,2).
 6756bond(d28,d28_9,d28_17,1).
 6757bond(d28,d28_2,d28_18,1).
 6758bond(d28,d28_5,d28_19,1).
 6759bond(d28,d28_6,d28_20,1).
 6760bond(d28,d28_8,d28_21,1).
 6761bond(d28,d28_10,d28_22,1).
 6762bond(d28,d28_11,d28_23,1).
 6763bond(d28,d28_13,d28_24,1).
 6764bond(d28,d28_13,d28_25,1).
 6765atm(d29,d29_1,c,22,-0.106).
 6766atm(d29,d29_2,c,22,-0.106).
 6767atm(d29,d29_3,c,22,-0.106).
 6768atm(d29,d29_4,c,29,0.024).
 6769atm(d29,d29_5,c,22,-0.106).
 6770atm(d29,d29_6,c,22,-0.106).
 6771atm(d29,d29_7,c,22,-0.106).
 6772atm(d29,d29_8,c,22,-0.106).
 6773atm(d29,d29_9,c,22,-0.106).
 6774atm(d29,d29_10,c,22,-0.106).
 6775atm(d29,d29_11,c,22,-0.106).
 6776atm(d29,d29_12,c,29,0.024).
 6777atm(d29,d29_13,c,230,0.194).
 6778atm(d29,d29_14,n,38,0.823).
 6779atm(d29,d29_15,o,40,-0.376).
 6780atm(d29,d29_16,o,40,-0.377).
 6781atm(d29,d29_17,n,38,0.823).
 6782atm(d29,d29_18,o,40,-0.376).
 6783atm(d29,d29_19,o,40,-0.376).
 6784atm(d29,d29_20,n,38,0.823).
 6785atm(d29,d29_21,o,40,-0.377).
 6786atm(d29,d29_22,o,40,-0.377).
 6787atm(d29,d29_23,f,92,-0.276).
 6788atm(d29,d29_24,h,3,0.154).
 6789atm(d29,d29_25,h,3,0.154).
 6790atm(d29,d29_26,h,3,0.154).
 6791atm(d29,d29_27,h,3,0.154).
 6792atm(d29,d29_28,h,3,0.154).
 6793atm(d29,d29_29,h,3,0.114).
 6794
 6795bond(d29,d29_1,d29_2,7).
 6796bond(d29,d29_2,d29_3,7).
 6797bond(d29,d29_3,d29_4,7).
 6798bond(d29,d29_4,d29_5,7).
 6799bond(d29,d29_5,d29_6,7).
 6800bond(d29,d29_6,d29_1,7).
 6801bond(d29,d29_7,d29_8,7).
 6802bond(d29,d29_8,d29_9,7).
 6803bond(d29,d29_9,d29_10,7).
 6804bond(d29,d29_10,d29_11,7).
 6805bond(d29,d29_11,d29_12,7).
 6806bond(d29,d29_12,d29_7,7).
 6807bond(d29,d29_4,d29_12,1).
 6808bond(d29,d29_3,d29_13,1).
 6809bond(d29,d29_13,d29_7,1).
 6810bond(d29,d29_1,d29_14,1).
 6811bond(d29,d29_14,d29_15,2).
 6812bond(d29,d29_14,d29_16,2).
 6813bond(d29,d29_9,d29_17,1).
 6814bond(d29,d29_18,d29_17,2).
 6815bond(d29,d29_19,d29_17,2).
 6816bond(d29,d29_20,d29_11,1).
 6817bond(d29,d29_21,d29_20,2).
 6818bond(d29,d29_22,d29_20,2).
 6819bond(d29,d29_13,d29_23,1).
 6820bond(d29,d29_2,d29_24,1).
 6821bond(d29,d29_5,d29_25,1).
 6822bond(d29,d29_6,d29_26,1).
 6823bond(d29,d29_8,d29_27,1).
 6824bond(d29,d29_10,d29_28,1).
 6825bond(d29,d29_13,d29_29,1).
 6826atm(d3,d3_1,c,22,-0.097).
 6827atm(d3,d3_2,c,22,-0.097).
 6828atm(d3,d3_3,c,27,-0.067).
 6829atm(d3,d3_4,c,27,0.033).
 6830atm(d3,d3_5,c,22,-0.097).
 6831atm(d3,d3_6,c,22,-0.097).
 6832atm(d3,d3_7,h,3,0.162).
 6833atm(d3,d3_8,h,3,0.162).
 6834atm(d3,d3_9,h,3,0.163).
 6835atm(d3,d3_10,n,35,-0.738).
 6836atm(d3,d3_11,c,22,0.282).
 6837atm(d3,d3_12,c,22,-0.097).
 6838atm(d3,d3_13,c,22,-0.097).
 6839atm(d3,d3_14,h,3,0.163).
 6840atm(d3,d3_15,h,3,0.163).
 6841atm(d3,d3_16,h,3,0.163).
 6842atm(d3,d3_17,n,38,0.832).
 6843atm(d3,d3_18,o,40,-0.368).
 6844atm(d3,d3_19,o,40,-0.368).
 6845
 6846bond(d3,d3_1,d3_2,7).
 6847bond(d3,d3_2,d3_3,7).
 6848bond(d3,d3_3,d3_4,7).
 6849bond(d3,d3_4,d3_5,7).
 6850bond(d3,d3_5,d3_6,7).
 6851bond(d3,d3_6,d3_1,7).
 6852bond(d3,d3_1,d3_7,1).
 6853bond(d3,d3_2,d3_8,1).
 6854bond(d3,d3_6,d3_9,1).
 6855bond(d3,d3_3,d3_10,7).
 6856bond(d3,d3_10,d3_11,7).
 6857bond(d3,d3_11,d3_12,7).
 6858bond(d3,d3_12,d3_13,7).
 6859bond(d3,d3_13,d3_4,7).
 6860bond(d3,d3_11,d3_14,1).
 6861bond(d3,d3_12,d3_15,1).
 6862bond(d3,d3_13,d3_16,1).
 6863bond(d3,d3_17,d3_5,1).
 6864bond(d3,d3_17,d3_18,2).
 6865bond(d3,d3_17,d3_19,2).
 6866atm(d30,d30_1,c,22,-0.115).
 6867atm(d30,d30_2,c,22,-0.115).
 6868atm(d30,d30_3,c,27,-0.085).
 6869atm(d30,d30_4,c,27,-0.085).
 6870atm(d30,d30_5,c,26,-0.085).
 6871atm(d30,d30_6,c,22,-0.115).
 6872atm(d30,d30_7,c,27,-0.085).
 6873atm(d30,d30_8,c,27,0.015).
 6874atm(d30,d30_9,c,22,-0.115).
 6875atm(d30,d30_10,c,26,-0.085).
 6876atm(d30,d30_11,c,22,-0.115).
 6877atm(d30,d30_12,c,27,0.015).
 6878atm(d30,d30_13,c,27,0.015).
 6879atm(d30,d30_14,c,22,-0.115).
 6880atm(d30,d30_15,c,22,-0.115).
 6881atm(d30,d30_16,c,22,-0.115).
 6882atm(d30,d30_17,c,22,-0.115).
 6883atm(d30,d30_18,c,22,-0.115).
 6884atm(d30,d30_19,c,21,0.015).
 6885atm(d30,d30_20,c,21,-0.085).
 6886atm(d30,d30_21,h,3,0.145).
 6887atm(d30,d30_22,h,3,0.145).
 6888atm(d30,d30_23,h,3,0.144).
 6889atm(d30,d30_24,h,3,0.145).
 6890atm(d30,d30_25,h,3,0.144).
 6891atm(d30,d30_26,h,3,0.144).
 6892atm(d30,d30_27,h,3,0.144).
 6893atm(d30,d30_28,h,3,0.144).
 6894atm(d30,d30_29,h,3,0.144).
 6895atm(d30,d30_30,h,3,0.144).
 6896atm(d30,d30_31,h,3,0.115).
 6897atm(d30,d30_32,n,38,0.814).
 6898atm(d30,d30_33,o,40,-0.386).
 6899atm(d30,d30_34,o,40,-0.386).
 6900
 6901bond(d30,d30_1,d30_2,7).
 6902bond(d30,d30_2,d30_3,7).
 6903bond(d30,d30_3,d30_4,7).
 6904bond(d30,d30_4,d30_5,7).
 6905bond(d30,d30_5,d30_6,7).
 6906bond(d30,d30_6,d30_1,7).
 6907bond(d30,d30_3,d30_7,7).
 6908bond(d30,d30_7,d30_8,7).
 6909bond(d30,d30_8,d30_9,7).
 6910bond(d30,d30_9,d30_10,7).
 6911bond(d30,d30_10,d30_4,7).
 6912bond(d30,d30_7,d30_11,7).
 6913bond(d30,d30_11,d30_12,7).
 6914bond(d30,d30_12,d30_13,7).
 6915bond(d30,d30_13,d30_14,7).
 6916bond(d30,d30_14,d30_8,7).
 6917bond(d30,d30_12,d30_15,7).
 6918bond(d30,d30_15,d30_16,7).
 6919bond(d30,d30_16,d30_17,7).
 6920bond(d30,d30_17,d30_18,7).
 6921bond(d30,d30_18,d30_13,7).
 6922bond(d30,d30_19,d30_5,7).
 6923bond(d30,d30_19,d30_20,7).
 6924bond(d30,d30_20,d30_10,7).
 6925bond(d30,d30_1,d30_21,1).
 6926bond(d30,d30_2,d30_22,1).
 6927bond(d30,d30_6,d30_23,1).
 6928bond(d30,d30_9,d30_24,1).
 6929bond(d30,d30_11,d30_25,1).
 6930bond(d30,d30_14,d30_26,1).
 6931bond(d30,d30_15,d30_27,1).
 6932bond(d30,d30_16,d30_28,1).
 6933bond(d30,d30_17,d30_29,1).
 6934bond(d30,d30_18,d30_30,1).
 6935bond(d30,d30_20,d30_31,1).
 6936bond(d30,d30_32,d30_19,1).
 6937bond(d30,d30_33,d30_32,2).
 6938bond(d30,d30_34,d30_32,2).
 6939atm(d31,d31_1,c,22,-0.118).
 6940atm(d31,d31_2,c,22,-0.118).
 6941atm(d31,d31_3,c,27,0.012).
 6942atm(d31,d31_4,c,27,-0.088).
 6943atm(d31,d31_5,c,28,0.012).
 6944atm(d31,d31_6,c,22,-0.118).
 6945atm(d31,d31_7,h,3,0.142).
 6946atm(d31,d31_8,h,3,0.142).
 6947atm(d31,d31_9,h,3,0.142).
 6948atm(d31,d31_10,c,22,-0.118).
 6949atm(d31,d31_11,c,22,-0.118).
 6950atm(d31,d31_12,c,22,-0.118).
 6951atm(d31,d31_13,c,29,0.012).
 6952atm(d31,d31_14,h,3,0.142).
 6953atm(d31,d31_15,c,28,0.012).
 6954atm(d31,d31_16,c,28,0.012).
 6955atm(d31,d31_17,c,22,-0.118).
 6956atm(d31,d31_18,c,22,-0.118).
 6957atm(d31,d31_19,c,22,-0.118).
 6958atm(d31,d31_20,c,22,-0.118).
 6959atm(d31,d31_21,h,3,0.142).
 6960atm(d31,d31_22,h,3,0.142).
 6961atm(d31,d31_23,h,3,0.142).
 6962atm(d31,d31_24,n,38,0.812).
 6963atm(d31,d31_25,n,38,0.812).
 6964atm(d31,d31_26,o,40,-0.388).
 6965atm(d31,d31_27,o,40,-0.388).
 6966atm(d31,d31_28,o,40,-0.388).
 6967atm(d31,d31_29,o,40,-0.388).
 6968atm(d31,d31_30,h,3,0.142).
 6969
 6970bond(d31,d31_1,d31_2,7).
 6971bond(d31,d31_2,d31_3,7).
 6972bond(d31,d31_3,d31_4,7).
 6973bond(d31,d31_4,d31_5,7).
 6974bond(d31,d31_5,d31_6,7).
 6975bond(d31,d31_6,d31_1,7).
 6976bond(d31,d31_1,d31_7,1).
 6977bond(d31,d31_2,d31_8,1).
 6978bond(d31,d31_6,d31_9,1).
 6979bond(d31,d31_3,d31_10,7).
 6980bond(d31,d31_10,d31_11,7).
 6981bond(d31,d31_11,d31_12,7).
 6982bond(d31,d31_12,d31_13,7).
 6983bond(d31,d31_13,d31_4,7).
 6984bond(d31,d31_10,d31_14,1).
 6985bond(d31,d31_15,d31_16,7).
 6986bond(d31,d31_16,d31_17,7).
 6987bond(d31,d31_17,d31_18,7).
 6988bond(d31,d31_18,d31_19,7).
 6989bond(d31,d31_19,d31_20,7).
 6990bond(d31,d31_20,d31_15,7).
 6991bond(d31,d31_18,d31_21,1).
 6992bond(d31,d31_19,d31_22,1).
 6993bond(d31,d31_20,d31_23,1).
 6994bond(d31,d31_15,d31_5,1).
 6995bond(d31,d31_12,d31_24,1).
 6996bond(d31,d31_11,d31_25,1).
 6997bond(d31,d31_26,d31_24,2).
 6998bond(d31,d31_24,d31_27,2).
 6999bond(d31,d31_25,d31_28,2).
 7000bond(d31,d31_25,d31_29,2).
 7001bond(d31,d31_17,d31_30,1).
 7002bond(d31,d31_16,d31_13,1).
 7003atm(d32,d32_1,c,22,-0.113).
 7004atm(d32,d32_2,c,22,-0.113).
 7005atm(d32,d32_3,c,22,-0.113).
 7006atm(d32,d32_4,c,29,0.017).
 7007atm(d32,d32_5,c,22,-0.113).
 7008atm(d32,d32_6,c,22,-0.113).
 7009atm(d32,d32_7,h,3,0.147).
 7010atm(d32,d32_8,h,3,0.147).
 7011atm(d32,d32_9,h,3,0.147).
 7012atm(d32,d32_10,c,29,0.017).
 7013atm(d32,d32_11,c,22,-0.113).
 7014atm(d32,d32_12,c,22,-0.113).
 7015atm(d32,d32_13,c,22,-0.113).
 7016atm(d32,d32_14,c,22,-0.113).
 7017atm(d32,d32_15,c,22,-0.113).
 7018atm(d32,d32_16,h,3,0.147).
 7019atm(d32,d32_17,h,3,0.147).
 7020atm(d32,d32_18,h,3,0.147).
 7021atm(d32,d32_19,n,38,0.818).
 7022atm(d32,d32_20,n,38,0.818).
 7023atm(d32,d32_21,n,38,0.818).
 7024atm(d32,d32_22,n,38,0.818).
 7025atm(d32,d32_23,o,40,-0.382).
 7026atm(d32,d32_24,o,40,-0.382).
 7027atm(d32,d32_25,o,40,-0.382).
 7028atm(d32,d32_26,o,40,-0.383).
 7029atm(d32,d32_27,o,40,-0.383).
 7030atm(d32,d32_28,o,40,-0.382).
 7031atm(d32,d32_29,o,40,-0.382).
 7032atm(d32,d32_30,o,40,-0.382).
 7033
 7034bond(d32,d32_1,d32_2,7).
 7035bond(d32,d32_2,d32_3,7).
 7036bond(d32,d32_3,d32_4,7).
 7037bond(d32,d32_4,d32_5,7).
 7038bond(d32,d32_5,d32_6,7).
 7039bond(d32,d32_6,d32_1,7).
 7040bond(d32,d32_2,d32_7,1).
 7041bond(d32,d32_3,d32_8,1).
 7042bond(d32,d32_5,d32_9,1).
 7043bond(d32,d32_10,d32_11,7).
 7044bond(d32,d32_11,d32_12,7).
 7045bond(d32,d32_12,d32_13,7).
 7046bond(d32,d32_13,d32_14,7).
 7047bond(d32,d32_14,d32_15,7).
 7048bond(d32,d32_15,d32_10,7).
 7049bond(d32,d32_11,d32_16,1).
 7050bond(d32,d32_12,d32_17,1).
 7051bond(d32,d32_14,d32_18,1).
 7052bond(d32,d32_10,d32_4,1).
 7053bond(d32,d32_19,d32_15,1).
 7054bond(d32,d32_13,d32_20,1).
 7055bond(d32,d32_6,d32_21,1).
 7056bond(d32,d32_1,d32_22,1).
 7057bond(d32,d32_23,d32_19,2).
 7058bond(d32,d32_19,d32_24,2).
 7059bond(d32,d32_25,d32_20,2).
 7060bond(d32,d32_20,d32_26,2).
 7061bond(d32,d32_27,d32_22,2).
 7062bond(d32,d32_22,d32_28,2).
 7063bond(d32,d32_29,d32_21,2).
 7064bond(d32,d32_21,d32_30,2).
 7065atm(d33,d33_1,c,22,-0.127).
 7066atm(d33,d33_2,c,22,-0.127).
 7067atm(d33,d33_3,c,22,-0.127).
 7068atm(d33,d33_4,c,29,0.003).
 7069atm(d33,d33_5,c,22,-0.127).
 7070atm(d33,d33_6,c,22,-0.127).
 7071atm(d33,d33_7,h,3,0.133).
 7072atm(d33,d33_8,h,3,0.133).
 7073atm(d33,d33_9,h,3,0.133).
 7074atm(d33,d33_10,c,22,-0.127).
 7075atm(d33,d33_11,c,22,-0.127).
 7076atm(d33,d33_12,c,22,0.203).
 7077atm(d33,d33_13,c,22,-0.127).
 7078atm(d33,d33_14,c,22,-0.127).
 7079atm(d33,d33_15,c,29,0.003).
 7080atm(d33,d33_16,h,3,0.133).
 7081atm(d33,d33_17,h,3,0.133).
 7082atm(d33,d33_18,h,3,0.133).
 7083atm(d33,d33_19,c,10,0.003).
 7084atm(d33,d33_20,h,3,0.053).
 7085atm(d33,d33_21,h,3,0.053).
 7086atm(d33,d33_22,n,38,0.802).
 7087atm(d33,d33_23,o,40,-0.398).
 7088atm(d33,d33_24,o,40,-0.397).
 7089atm(d33,d33_25,n,32,-0.398).
 7090atm(d33,d33_26,c,14,0.602).
 7091atm(d33,d33_27,c,232,1.002).
 7092atm(d33,d33_28,f,92,-0.297).
 7093atm(d33,d33_29,f,92,-0.297).
 7094atm(d33,d33_30,f,92,-0.297).
 7095atm(d33,d33_31,h,1,0.253).
 7096atm(d33,d33_32,o,40,-0.548).
 7097
 7098bond(d33,d33_1,d33_2,7).
 7099bond(d33,d33_2,d33_3,7).
 7100bond(d33,d33_3,d33_4,7).
 7101bond(d33,d33_4,d33_5,7).
 7102bond(d33,d33_5,d33_6,7).
 7103bond(d33,d33_6,d33_1,7).
 7104bond(d33,d33_2,d33_7,1).
 7105bond(d33,d33_5,d33_8,1).
 7106bond(d33,d33_6,d33_9,1).
 7107bond(d33,d33_10,d33_11,7).
 7108bond(d33,d33_11,d33_12,7).
 7109bond(d33,d33_12,d33_13,7).
 7110bond(d33,d33_13,d33_14,7).
 7111bond(d33,d33_14,d33_15,7).
 7112bond(d33,d33_15,d33_10,7).
 7113bond(d33,d33_11,d33_16,1).
 7114bond(d33,d33_13,d33_17,1).
 7115bond(d33,d33_14,d33_18,1).
 7116bond(d33,d33_4,d33_15,1).
 7117bond(d33,d33_3,d33_19,1).
 7118bond(d33,d33_19,d33_10,1).
 7119bond(d33,d33_19,d33_20,1).
 7120bond(d33,d33_19,d33_21,1).
 7121bond(d33,d33_1,d33_22,1).
 7122bond(d33,d33_23,d33_22,2).
 7123bond(d33,d33_22,d33_24,2).
 7124bond(d33,d33_12,d33_25,1).
 7125bond(d33,d33_25,d33_26,1).
 7126bond(d33,d33_26,d33_27,1).
 7127bond(d33,d33_27,d33_28,1).
 7128bond(d33,d33_27,d33_29,1).
 7129bond(d33,d33_27,d33_30,1).
 7130bond(d33,d33_25,d33_31,1).
 7131bond(d33,d33_26,d33_32,2).
 7132atm(d34,d34_1,c,22,-0.123).
 7133atm(d34,d34_2,c,22,-0.123).
 7134atm(d34,d34_3,c,27,0.006).
 7135atm(d34,d34_4,c,27,0.006).
 7136atm(d34,d34_5,c,22,-0.123).
 7137atm(d34,d34_6,c,22,-0.123).
 7138atm(d34,d34_7,h,3,0.136).
 7139atm(d34,d34_8,h,3,0.136).
 7140atm(d34,d34_9,h,3,0.137).
 7141atm(d34,d34_10,h,3,0.136).
 7142atm(d34,d34_11,c,22,-0.123).
 7143atm(d34,d34_12,c,22,-0.123).
 7144atm(d34,d34_13,c,22,-0.123).
 7145atm(d34,d34_14,c,22,-0.123).
 7146atm(d34,d34_15,h,3,0.137).
 7147atm(d34,d34_16,h,3,0.137).
 7148atm(d34,d34_17,h,3,0.137).
 7149atm(d34,d34_18,n,38,0.806).
 7150atm(d34,d34_19,o,40,-0.395).
 7151atm(d34,d34_20,o,40,-0.395).
 7152
 7153bond(d34,d34_1,d34_2,7).
 7154bond(d34,d34_2,d34_3,7).
 7155bond(d34,d34_3,d34_4,7).
 7156bond(d34,d34_4,d34_5,7).
 7157bond(d34,d34_5,d34_6,7).
 7158bond(d34,d34_6,d34_1,7).
 7159bond(d34,d34_1,d34_7,1).
 7160bond(d34,d34_2,d34_8,1).
 7161bond(d34,d34_5,d34_9,1).
 7162bond(d34,d34_6,d34_10,1).
 7163bond(d34,d34_3,d34_11,7).
 7164bond(d34,d34_11,d34_12,7).
 7165bond(d34,d34_12,d34_13,7).
 7166bond(d34,d34_13,d34_14,7).
 7167bond(d34,d34_14,d34_4,7).
 7168bond(d34,d34_11,d34_15,1).
 7169bond(d34,d34_12,d34_16,1).
 7170bond(d34,d34_14,d34_17,1).
 7171bond(d34,d34_18,d34_13,1).
 7172bond(d34,d34_19,d34_18,2).
 7173bond(d34,d34_18,d34_20,2).
 7174atm(d35,d35_1,c,22,-0.122).
 7175atm(d35,d35_2,c,22,-0.122).
 7176atm(d35,d35_3,c,22,-0.122).
 7177atm(d35,d35_4,c,29,0.008).
 7178atm(d35,d35_5,c,22,-0.122).
 7179atm(d35,d35_6,c,22,-0.122).
 7180atm(d35,d35_7,h,3,0.138).
 7181atm(d35,d35_8,h,3,0.138).
 7182atm(d35,d35_9,h,3,0.138).
 7183atm(d35,d35_10,c,22,-0.122).
 7184atm(d35,d35_11,c,22,-0.122).
 7185atm(d35,d35_12,c,22,0.208).
 7186atm(d35,d35_13,c,22,-0.122).
 7187atm(d35,d35_14,c,22,-0.122).
 7188atm(d35,d35_15,c,29,0.008).
 7189atm(d35,d35_16,h,3,0.138).
 7190atm(d35,d35_17,h,3,0.138).
 7191atm(d35,d35_18,h,3,0.138).
 7192atm(d35,d35_19,c,10,0.008).
 7193atm(d35,d35_20,h,3,0.058).
 7194atm(d35,d35_21,h,3,0.058).
 7195atm(d35,d35_22,n,38,0.807).
 7196atm(d35,d35_23,n,32,-0.773).
 7197atm(d35,d35_24,o,40,-0.393).
 7198atm(d35,d35_25,o,40,-0.393).
 7199atm(d35,d35_26,h,1,0.337).
 7200atm(d35,d35_27,h,1,0.337).
 7201
 7202bond(d35,d35_1,d35_2,7).
 7203bond(d35,d35_2,d35_3,7).
 7204bond(d35,d35_3,d35_4,7).
 7205bond(d35,d35_4,d35_5,7).
 7206bond(d35,d35_5,d35_6,7).
 7207bond(d35,d35_6,d35_1,7).
 7208bond(d35,d35_2,d35_7,1).
 7209bond(d35,d35_5,d35_8,1).
 7210bond(d35,d35_6,d35_9,1).
 7211bond(d35,d35_10,d35_11,7).
 7212bond(d35,d35_11,d35_12,7).
 7213bond(d35,d35_12,d35_13,7).
 7214bond(d35,d35_13,d35_14,7).
 7215bond(d35,d35_14,d35_15,7).
 7216bond(d35,d35_15,d35_10,7).
 7217bond(d35,d35_11,d35_16,1).
 7218bond(d35,d35_13,d35_17,1).
 7219bond(d35,d35_14,d35_18,1).
 7220bond(d35,d35_4,d35_15,1).
 7221bond(d35,d35_3,d35_19,1).
 7222bond(d35,d35_19,d35_10,1).
 7223bond(d35,d35_19,d35_20,1).
 7224bond(d35,d35_19,d35_21,1).
 7225bond(d35,d35_1,d35_22,1).
 7226bond(d35,d35_12,d35_23,1).
 7227bond(d35,d35_24,d35_22,2).
 7228bond(d35,d35_22,d35_25,2).
 7229bond(d35,d35_23,d35_26,1).
 7230bond(d35,d35_23,d35_27,1).
 7231atm(d36,d36_1,c,22,-0.123).
 7232atm(d36,d36_2,c,22,-0.123).
 7233atm(d36,d36_3,c,27,0.007).
 7234atm(d36,d36_4,c,27,0.007).
 7235atm(d36,d36_5,c,22,-0.123).
 7236atm(d36,d36_6,c,22,-0.123).
 7237atm(d36,d36_7,h,3,0.137).
 7238atm(d36,d36_8,h,3,0.137).
 7239atm(d36,d36_9,h,3,0.137).
 7240atm(d36,d36_10,h,3,0.137).
 7241atm(d36,d36_11,c,22,-0.123).
 7242atm(d36,d36_12,c,22,-0.173).
 7243atm(d36,d36_13,c,22,-0.123).
 7244atm(d36,d36_14,c,22,-0.123).
 7245atm(d36,d36_15,h,3,0.137).
 7246atm(d36,d36_16,h,3,0.137).
 7247atm(d36,d36_17,c,10,0.007).
 7248atm(d36,d36_18,h,3,0.057).
 7249atm(d36,d36_19,h,3,0.057).
 7250atm(d36,d36_20,h,3,0.057).
 7251atm(d36,d36_21,n,38,0.806).
 7252atm(d36,d36_22,o,40,-0.393).
 7253atm(d36,d36_23,o,40,-0.393).
 7254
 7255bond(d36,d36_1,d36_2,7).
 7256bond(d36,d36_2,d36_3,7).
 7257bond(d36,d36_3,d36_4,7).
 7258bond(d36,d36_4,d36_5,7).
 7259bond(d36,d36_5,d36_6,7).
 7260bond(d36,d36_6,d36_1,7).
 7261bond(d36,d36_1,d36_7,1).
 7262bond(d36,d36_2,d36_8,1).
 7263bond(d36,d36_5,d36_9,1).
 7264bond(d36,d36_6,d36_10,1).
 7265bond(d36,d36_3,d36_11,7).
 7266bond(d36,d36_11,d36_12,7).
 7267bond(d36,d36_12,d36_13,7).
 7268bond(d36,d36_13,d36_14,7).
 7269bond(d36,d36_14,d36_4,7).
 7270bond(d36,d36_11,d36_15,1).
 7271bond(d36,d36_14,d36_16,1).
 7272bond(d36,d36_12,d36_17,1).
 7273bond(d36,d36_17,d36_18,1).
 7274bond(d36,d36_17,d36_19,1).
 7275bond(d36,d36_17,d36_20,1).
 7276bond(d36,d36_13,d36_21,1).
 7277bond(d36,d36_22,d36_21,2).
 7278bond(d36,d36_21,d36_23,2).
 7279atm(d37,d37_1,c,22,-0.126).
 7280atm(d37,d37_2,c,22,-0.126).
 7281atm(d37,d37_3,c,22,-0.126).
 7282atm(d37,d37_4,c,22,0.004).
 7283atm(d37,d37_5,c,22,-0.126).
 7284atm(d37,d37_6,c,22,-0.126).
 7285atm(d37,d37_7,h,3,0.135).
 7286atm(d37,d37_8,h,3,0.135).
 7287atm(d37,d37_9,h,3,0.135).
 7288atm(d37,d37_10,h,3,0.135).
 7289atm(d37,d37_11,c,10,-0.096).
 7290atm(d37,d37_12,c,10,-0.096).
 7291atm(d37,d37_13,h,3,0.054).
 7292atm(d37,d37_14,h,3,0.054).
 7293atm(d37,d37_15,c,22,0.004).
 7294atm(d37,d37_16,h,3,0.054).
 7295atm(d37,d37_17,h,3,0.054).
 7296atm(d37,d37_18,c,22,-0.126).
 7297atm(d37,d37_19,c,22,-0.126).
 7298atm(d37,d37_20,c,22,-0.126).
 7299atm(d37,d37_21,c,22,-0.126).
 7300atm(d37,d37_22,c,22,-0.126).
 7301atm(d37,d37_23,h,3,0.134).
 7302atm(d37,d37_24,h,3,0.135).
 7303atm(d37,d37_25,h,3,0.134).
 7304atm(d37,d37_26,h,3,0.135).
 7305atm(d37,d37_27,h,3,0.135).
 7306atm(d37,d37_28,n,38,0.805).
 7307atm(d37,d37_29,o,40,-0.395).
 7308atm(d37,d37_30,o,40,-0.395).
 7309
 7310bond(d37,d37_1,d37_2,7).
 7311bond(d37,d37_2,d37_3,7).
 7312bond(d37,d37_3,d37_4,7).
 7313bond(d37,d37_4,d37_5,7).
 7314bond(d37,d37_5,d37_6,7).
 7315bond(d37,d37_6,d37_1,7).
 7316bond(d37,d37_2,d37_7,1).
 7317bond(d37,d37_3,d37_8,1).
 7318bond(d37,d37_5,d37_9,1).
 7319bond(d37,d37_6,d37_10,1).
 7320bond(d37,d37_4,d37_11,1).
 7321bond(d37,d37_11,d37_12,1).
 7322bond(d37,d37_11,d37_13,1).
 7323bond(d37,d37_11,d37_14,1).
 7324bond(d37,d37_12,d37_15,1).
 7325bond(d37,d37_12,d37_16,1).
 7326bond(d37,d37_12,d37_17,1).
 7327bond(d37,d37_15,d37_18,7).
 7328bond(d37,d37_18,d37_19,7).
 7329bond(d37,d37_19,d37_20,7).
 7330bond(d37,d37_20,d37_21,7).
 7331bond(d37,d37_21,d37_22,7).
 7332bond(d37,d37_22,d37_15,7).
 7333bond(d37,d37_18,d37_23,1).
 7334bond(d37,d37_19,d37_24,1).
 7335bond(d37,d37_20,d37_25,1).
 7336bond(d37,d37_21,d37_26,1).
 7337bond(d37,d37_22,d37_27,1).
 7338bond(d37,d37_1,d37_28,1).
 7339bond(d37,d37_29,d37_28,2).
 7340bond(d37,d37_28,d37_30,2).
 7341atm(d38,d38_1,c,22,-0.125).
 7342atm(d38,d38_2,c,22,-0.125).
 7343atm(d38,d38_3,c,22,-0.125).
 7344atm(d38,d38_4,c,29,0.005).
 7345atm(d38,d38_5,c,22,-0.125).
 7346atm(d38,d38_6,c,22,-0.125).
 7347atm(d38,d38_7,h,3,0.136).
 7348atm(d38,d38_8,h,3,0.136).
 7349atm(d38,d38_9,h,3,0.136).
 7350atm(d38,d38_10,h,3,0.136).
 7351atm(d38,d38_11,h,3,0.136).
 7352atm(d38,d38_12,c,29,0.005).
 7353atm(d38,d38_13,c,22,-0.125).
 7354atm(d38,d38_14,c,22,-0.125).
 7355atm(d38,d38_15,c,22,-0.125).
 7356atm(d38,d38_16,c,22,-0.125).
 7357atm(d38,d38_17,c,22,-0.125).
 7358atm(d38,d38_18,h,3,0.136).
 7359atm(d38,d38_19,h,3,0.135).
 7360atm(d38,d38_20,h,3,0.135).
 7361atm(d38,d38_21,h,3,0.136).
 7362atm(d38,d38_22,n,38,0.806).
 7363atm(d38,d38_23,o,40,-0.394).
 7364atm(d38,d38_24,o,40,-0.394).
 7365
 7366bond(d38,d38_1,d38_2,7).
 7367bond(d38,d38_2,d38_3,7).
 7368bond(d38,d38_3,d38_4,7).
 7369bond(d38,d38_4,d38_5,7).
 7370bond(d38,d38_5,d38_6,7).
 7371bond(d38,d38_6,d38_1,7).
 7372bond(d38,d38_1,d38_7,1).
 7373bond(d38,d38_2,d38_8,1).
 7374bond(d38,d38_3,d38_9,1).
 7375bond(d38,d38_5,d38_10,1).
 7376bond(d38,d38_6,d38_11,1).
 7377bond(d38,d38_12,d38_13,7).
 7378bond(d38,d38_13,d38_14,7).
 7379bond(d38,d38_14,d38_15,7).
 7380bond(d38,d38_15,d38_16,7).
 7381bond(d38,d38_16,d38_17,7).
 7382bond(d38,d38_17,d38_12,7).
 7383bond(d38,d38_13,d38_18,1).
 7384bond(d38,d38_14,d38_19,1).
 7385bond(d38,d38_16,d38_20,1).
 7386bond(d38,d38_17,d38_21,1).
 7387bond(d38,d38_12,d38_4,1).
 7388bond(d38,d38_22,d38_15,1).
 7389bond(d38,d38_23,d38_22,2).
 7390bond(d38,d38_22,d38_24,2).
 7391atm(d39,d39_1,c,22,-0.111).
 7392atm(d39,d39_2,c,22,-0.111).
 7393atm(d39,d39_3,c,27,-0.081).
 7394atm(d39,d39_4,c,27,0.019).
 7395atm(d39,d39_5,c,22,-0.111).
 7396atm(d39,d39_6,c,22,0.198).
 7397atm(d39,d39_7,h,3,0.149).
 7398atm(d39,d39_8,h,3,0.149).
 7399atm(d39,d39_9,n,35,-0.752).
 7400atm(d39,d39_10,c,22,0.268).
 7401atm(d39,d39_11,c,22,-0.111).
 7402atm(d39,d39_12,c,22,-0.111).
 7403atm(d39,d39_13,h,3,0.149).
 7404atm(d39,d39_14,h,3,0.149).
 7405atm(d39,d39_15,h,3,0.149).
 7406atm(d39,d39_16,n,38,0.818).
 7407atm(d39,d39_17,o,40,-0.382).
 7408atm(d39,d39_18,o,40,-0.382).
 7409atm(d39,d39_19,o,50,-0.212).
 7410atm(d39,d39_20,c,10,0.109).
 7411atm(d39,d39_21,h,3,0.069).
 7412atm(d39,d39_22,h,3,0.069).
 7413atm(d39,d39_23,h,3,0.069).
 7414
 7415bond(d39,d39_1,d39_2,7).
 7416bond(d39,d39_2,d39_3,7).
 7417bond(d39,d39_3,d39_4,7).
 7418bond(d39,d39_4,d39_5,7).
 7419bond(d39,d39_5,d39_6,7).
 7420bond(d39,d39_6,d39_1,7).
 7421bond(d39,d39_1,d39_7,1).
 7422bond(d39,d39_5,d39_8,1).
 7423bond(d39,d39_3,d39_9,7).
 7424bond(d39,d39_9,d39_10,7).
 7425bond(d39,d39_10,d39_11,7).
 7426bond(d39,d39_11,d39_12,7).
 7427bond(d39,d39_12,d39_4,7).
 7428bond(d39,d39_10,d39_13,1).
 7429bond(d39,d39_11,d39_14,1).
 7430bond(d39,d39_12,d39_15,1).
 7431bond(d39,d39_2,d39_16,1).
 7432bond(d39,d39_16,d39_17,2).
 7433bond(d39,d39_16,d39_18,2).
 7434bond(d39,d39_6,d39_19,1).
 7435bond(d39,d39_19,d39_20,1).
 7436bond(d39,d39_20,d39_21,1).
 7437bond(d39,d39_20,d39_22,1).
 7438bond(d39,d39_20,d39_23,1).
 7439atm(d4,d4_1,c,22,-0.122).
 7440atm(d4,d4_2,c,22,-0.122).
 7441atm(d4,d4_3,c,27,0.008).
 7442atm(d4,d4_4,c,27,-0.092).
 7443atm(d4,d4_5,c,28,0.008).
 7444atm(d4,d4_6,c,22,-0.122).
 7445atm(d4,d4_7,c,22,-0.122).
 7446atm(d4,d4_8,c,22,-0.122).
 7447atm(d4,d4_9,c,22,-0.122).
 7448atm(d4,d4_10,c,29,0.008).
 7449atm(d4,d4_11,c,22,-0.122).
 7450atm(d4,d4_12,c,29,0.008).
 7451atm(d4,d4_13,c,28,0.008).
 7452atm(d4,d4_14,c,22,-0.122).
 7453atm(d4,d4_15,c,22,-0.122).
 7454atm(d4,d4_16,c,22,-0.122).
 7455atm(d4,d4_17,n,38,0.809).
 7456atm(d4,d4_18,o,40,-0.391).
 7457atm(d4,d4_19,o,40,-0.391).
 7458atm(d4,d4_20,h,3,0.138).
 7459atm(d4,d4_21,h,3,0.138).
 7460atm(d4,d4_22,h,3,0.138).
 7461atm(d4,d4_23,h,3,0.139).
 7462atm(d4,d4_24,h,3,0.139).
 7463atm(d4,d4_25,h,3,0.138).
 7464atm(d4,d4_26,h,3,0.138).
 7465atm(d4,d4_27,h,3,0.138).
 7466atm(d4,d4_28,h,3,0.139).
 7467
 7468bond(d4,d4_1,d4_2,7).
 7469bond(d4,d4_2,d4_3,7).
 7470bond(d4,d4_3,d4_4,7).
 7471bond(d4,d4_4,d4_5,7).
 7472bond(d4,d4_5,d4_6,7).
 7473bond(d4,d4_6,d4_1,7).
 7474bond(d4,d4_3,d4_7,7).
 7475bond(d4,d4_7,d4_8,7).
 7476bond(d4,d4_8,d4_9,7).
 7477bond(d4,d4_9,d4_10,7).
 7478bond(d4,d4_10,d4_4,7).
 7479bond(d4,d4_11,d4_12,7).
 7480bond(d4,d4_12,d4_13,7).
 7481bond(d4,d4_13,d4_14,7).
 7482bond(d4,d4_14,d4_15,7).
 7483bond(d4,d4_15,d4_16,7).
 7484bond(d4,d4_16,d4_11,7).
 7485bond(d4,d4_12,d4_5,1).
 7486bond(d4,d4_13,d4_10,1).
 7487bond(d4,d4_17,d4_9,1).
 7488bond(d4,d4_17,d4_18,2).
 7489bond(d4,d4_17,d4_19,2).
 7490bond(d4,d4_1,d4_20,1).
 7491bond(d4,d4_2,d4_21,1).
 7492bond(d4,d4_6,d4_22,1).
 7493bond(d4,d4_7,d4_23,1).
 7494bond(d4,d4_8,d4_24,1).
 7495bond(d4,d4_11,d4_25,1).
 7496bond(d4,d4_14,d4_26,1).
 7497bond(d4,d4_15,d4_27,1).
 7498bond(d4,d4_16,d4_28,1).
 7499atm(d40,d40_1,c,22,-0.123).
 7500atm(d40,d40_2,c,22,-0.123).
 7501atm(d40,d40_3,c,27,0.006).
 7502atm(d40,d40_4,c,27,0.006).
 7503atm(d40,d40_5,c,22,-0.123).
 7504atm(d40,d40_6,c,22,-0.123).
 7505atm(d40,d40_7,h,3,0.136).
 7506atm(d40,d40_8,h,3,0.136).
 7507atm(d40,d40_9,h,3,0.137).
 7508atm(d40,d40_10,h,3,0.136).
 7509atm(d40,d40_11,c,22,-0.123).
 7510atm(d40,d40_12,c,22,-0.123).
 7511atm(d40,d40_13,c,22,-0.123).
 7512atm(d40,d40_14,c,22,-0.123).
 7513atm(d40,d40_15,h,3,0.137).
 7514atm(d40,d40_16,h,3,0.137).
 7515atm(d40,d40_17,h,3,0.137).
 7516atm(d40,d40_18,n,38,0.806).
 7517atm(d40,d40_19,o,40,-0.395).
 7518atm(d40,d40_20,o,40,-0.395).
 7519
 7520bond(d40,d40_1,d40_2,7).
 7521bond(d40,d40_2,d40_3,7).
 7522bond(d40,d40_3,d40_4,7).
 7523bond(d40,d40_4,d40_5,7).
 7524bond(d40,d40_5,d40_6,7).
 7525bond(d40,d40_6,d40_1,7).
 7526bond(d40,d40_1,d40_7,1).
 7527bond(d40,d40_2,d40_8,1).
 7528bond(d40,d40_5,d40_9,1).
 7529bond(d40,d40_6,d40_10,1).
 7530bond(d40,d40_3,d40_11,7).
 7531bond(d40,d40_11,d40_12,7).
 7532bond(d40,d40_12,d40_13,7).
 7533bond(d40,d40_13,d40_14,7).
 7534bond(d40,d40_14,d40_4,7).
 7535bond(d40,d40_11,d40_15,1).
 7536bond(d40,d40_12,d40_16,1).
 7537bond(d40,d40_13,d40_17,1).
 7538bond(d40,d40_18,d40_14,1).
 7539bond(d40,d40_19,d40_18,2).
 7540bond(d40,d40_18,d40_20,2).
 7541atm(d41,d41_1,c,22,-0.107).
 7542atm(d41,d41_2,c,22,-0.107).
 7543atm(d41,d41_3,c,22,-0.107).
 7544atm(d41,d41_4,c,29,0.023).
 7545atm(d41,d41_5,c,22,-0.107).
 7546atm(d41,d41_6,c,22,-0.107).
 7547atm(d41,d41_7,h,3,0.152).
 7548atm(d41,d41_8,h,3,0.152).
 7549atm(d41,d41_9,h,3,0.153).
 7550atm(d41,d41_10,c,22,-0.107).
 7551atm(d41,d41_11,c,22,-0.107).
 7552atm(d41,d41_12,c,22,-0.107).
 7553atm(d41,d41_13,c,22,-0.107).
 7554atm(d41,d41_14,c,22,-0.107).
 7555atm(d41,d41_15,c,29,0.023).
 7556atm(d41,d41_16,h,3,0.153).
 7557atm(d41,d41_17,h,3,0.153).
 7558atm(d41,d41_18,h,3,0.153).
 7559atm(d41,d41_19,c,10,0.023).
 7560atm(d41,d41_20,h,3,0.073).
 7561atm(d41,d41_21,h,3,0.073).
 7562atm(d41,d41_22,br,94,-0.127).
 7563atm(d41,d41_23,n,38,0.822).
 7564atm(d41,d41_24,o,40,-0.378).
 7565atm(d41,d41_25,o,40,-0.378).
 7566
 7567bond(d41,d41_1,d41_2,7).
 7568bond(d41,d41_2,d41_3,7).
 7569bond(d41,d41_3,d41_4,7).
 7570bond(d41,d41_4,d41_5,7).
 7571bond(d41,d41_5,d41_6,7).
 7572bond(d41,d41_6,d41_1,7).
 7573bond(d41,d41_2,d41_7,1).
 7574bond(d41,d41_5,d41_8,1).
 7575bond(d41,d41_6,d41_9,1).
 7576bond(d41,d41_10,d41_11,7).
 7577bond(d41,d41_11,d41_12,7).
 7578bond(d41,d41_12,d41_13,7).
 7579bond(d41,d41_13,d41_14,7).
 7580bond(d41,d41_14,d41_15,7).
 7581bond(d41,d41_15,d41_10,7).
 7582bond(d41,d41_11,d41_16,1).
 7583bond(d41,d41_13,d41_17,1).
 7584bond(d41,d41_14,d41_18,1).
 7585bond(d41,d41_4,d41_15,1).
 7586bond(d41,d41_3,d41_19,1).
 7587bond(d41,d41_10,d41_19,1).
 7588bond(d41,d41_19,d41_20,1).
 7589bond(d41,d41_19,d41_21,1).
 7590bond(d41,d41_12,d41_22,1).
 7591bond(d41,d41_1,d41_23,1).
 7592bond(d41,d41_24,d41_23,2).
 7593bond(d41,d41_23,d41_25,2).
 7594atm(d42,d42_1,c,22,-0.122).
 7595atm(d42,d42_2,c,22,-0.122).
 7596atm(d42,d42_3,c,26,0.307).
 7597atm(d42,d42_4,c,26,0.108).
 7598atm(d42,d42_5,c,22,-0.122).
 7599atm(d42,d42_6,c,22,-0.122).
 7600atm(d42,d42_7,n,34,-0.393).
 7601atm(d42,d42_8,n,34,-0.533).
 7602atm(d42,d42_9,c,21,-0.122).
 7603atm(d42,d42_10,c,10,0.098).
 7604atm(d42,d42_11,n,38,0.807).
 7605atm(d42,d42_12,o,40,-0.393).
 7606atm(d42,d42_13,o,40,-0.393).
 7607atm(d42,d42_14,h,3,0.137).
 7608atm(d42,d42_15,h,3,0.138).
 7609atm(d42,d42_16,h,3,0.108).
 7610atm(d42,d42_17,h,3,0.138).
 7611atm(d42,d42_18,h,3,0.058).
 7612atm(d42,d42_19,h,3,0.058).
 7613atm(d42,d42_20,h,3,0.058).
 7614atm(d42,d42_21,h,1,0.307).
 7615
 7616bond(d42,d42_1,d42_2,7).
 7617bond(d42,d42_2,d42_3,7).
 7618bond(d42,d42_3,d42_4,7).
 7619bond(d42,d42_4,d42_5,7).
 7620bond(d42,d42_5,d42_6,7).
 7621bond(d42,d42_6,d42_1,7).
 7622bond(d42,d42_3,d42_7,7).
 7623bond(d42,d42_7,d42_8,7).
 7624bond(d42,d42_4,d42_9,7).
 7625bond(d42,d42_9,d42_8,7).
 7626bond(d42,d42_8,d42_10,1).
 7627bond(d42,d42_6,d42_11,1).
 7628bond(d42,d42_12,d42_11,2).
 7629bond(d42,d42_11,d42_13,2).
 7630bond(d42,d42_1,d42_14,1).
 7631bond(d42,d42_2,d42_15,1).
 7632bond(d42,d42_5,d42_16,1).
 7633bond(d42,d42_9,d42_17,1).
 7634bond(d42,d42_10,d42_18,1).
 7635bond(d42,d42_10,d42_19,1).
 7636bond(d42,d42_10,d42_20,1).
 7637bond(d42,d42_7,d42_21,1).
 7638atm(d43,d43_1,c,22,-0.122).
 7639atm(d43,d43_2,c,22,-0.122).
 7640atm(d43,d43_3,c,27,0.008).
 7641atm(d43,d43_4,c,27,-0.092).
 7642atm(d43,d43_5,c,28,0.008).
 7643atm(d43,d43_6,c,22,-0.122).
 7644atm(d43,d43_7,h,3,0.139).
 7645atm(d43,d43_8,h,3,0.138).
 7646atm(d43,d43_9,h,3,0.138).
 7647atm(d43,d43_10,c,22,-0.122).
 7648atm(d43,d43_11,c,22,-0.122).
 7649atm(d43,d43_12,c,22,-0.122).
 7650atm(d43,d43_13,c,29,0.008).
 7651atm(d43,d43_14,h,3,0.139).
 7652atm(d43,d43_15,h,3,0.138).
 7653atm(d43,d43_16,c,28,0.008).
 7654atm(d43,d43_17,c,28,0.008).
 7655atm(d43,d43_18,c,22,-0.122).
 7656atm(d43,d43_19,c,22,-0.122).
 7657atm(d43,d43_20,c,22,-0.122).
 7658atm(d43,d43_21,c,22,-0.122).
 7659atm(d43,d43_22,h,3,0.139).
 7660atm(d43,d43_23,h,3,0.138).
 7661atm(d43,d43_24,h,3,0.138).
 7662atm(d43,d43_25,n,38,0.809).
 7663atm(d43,d43_26,o,40,-0.391).
 7664atm(d43,d43_27,o,40,-0.391).
 7665atm(d43,d43_28,h,3,0.138).
 7666
 7667bond(d43,d43_1,d43_2,7).
 7668bond(d43,d43_2,d43_3,7).
 7669bond(d43,d43_3,d43_4,7).
 7670bond(d43,d43_4,d43_5,7).
 7671bond(d43,d43_5,d43_6,7).
 7672bond(d43,d43_6,d43_1,7).
 7673bond(d43,d43_1,d43_7,1).
 7674bond(d43,d43_2,d43_8,1).
 7675bond(d43,d43_6,d43_9,1).
 7676bond(d43,d43_3,d43_10,7).
 7677bond(d43,d43_10,d43_11,7).
 7678bond(d43,d43_11,d43_12,7).
 7679bond(d43,d43_12,d43_13,7).
 7680bond(d43,d43_13,d43_4,7).
 7681bond(d43,d43_10,d43_14,1).
 7682bond(d43,d43_12,d43_15,1).
 7683bond(d43,d43_16,d43_17,7).
 7684bond(d43,d43_17,d43_18,7).
 7685bond(d43,d43_18,d43_19,7).
 7686bond(d43,d43_19,d43_20,7).
 7687bond(d43,d43_20,d43_21,7).
 7688bond(d43,d43_21,d43_16,7).
 7689bond(d43,d43_19,d43_22,1).
 7690bond(d43,d43_20,d43_23,1).
 7691bond(d43,d43_21,d43_24,1).
 7692bond(d43,d43_16,d43_5,1).
 7693bond(d43,d43_11,d43_25,1).
 7694bond(d43,d43_26,d43_25,2).
 7695bond(d43,d43_25,d43_27,2).
 7696bond(d43,d43_18,d43_28,1).
 7697bond(d43,d43_17,d43_13,1).
 7698atm(d44,d44_1,c,22,-0.125).
 7699atm(d44,d44_2,c,22,-0.125).
 7700atm(d44,d44_3,c,22,-0.125).
 7701atm(d44,d44_4,c,29,0.005).
 7702atm(d44,d44_5,c,22,0.005).
 7703atm(d44,d44_6,c,22,-0.125).
 7704atm(d44,d44_7,c,29,0.005).
 7705atm(d44,d44_8,c,22,0.005).
 7706atm(d44,d44_9,c,10,-0.095).
 7707atm(d44,d44_10,c,10,-0.095).
 7708atm(d44,d44_11,c,22,-0.125).
 7709atm(d44,d44_12,c,22,-0.125).
 7710atm(d44,d44_13,c,22,-0.125).
 7711atm(d44,d44_14,c,22,-0.125).
 7712atm(d44,d44_15,n,38,0.804).
 7713atm(d44,d44_16,o,40,-0.396).
 7714atm(d44,d44_17,o,40,-0.396).
 7715atm(d44,d44_18,h,3,0.134).
 7716atm(d44,d44_19,h,3,0.134).
 7717atm(d44,d44_20,h,3,0.134).
 7718atm(d44,d44_21,h,3,0.134).
 7719atm(d44,d44_22,h,3,0.134).
 7720atm(d44,d44_23,h,3,0.134).
 7721atm(d44,d44_24,h,3,0.134).
 7722atm(d44,d44_25,h,3,0.055).
 7723atm(d44,d44_26,h,3,0.055).
 7724atm(d44,d44_27,h,3,0.055).
 7725atm(d44,d44_28,h,3,0.055).
 7726
 7727bond(d44,d44_1,d44_2,7).
 7728bond(d44,d44_2,d44_3,7).
 7729bond(d44,d44_3,d44_4,7).
 7730bond(d44,d44_4,d44_5,7).
 7731bond(d44,d44_5,d44_6,7).
 7732bond(d44,d44_6,d44_1,7).
 7733bond(d44,d44_4,d44_7,1).
 7734bond(d44,d44_7,d44_8,7).
 7735bond(d44,d44_8,d44_9,1).
 7736bond(d44,d44_9,d44_10,1).
 7737bond(d44,d44_10,d44_5,1).
 7738bond(d44,d44_7,d44_11,7).
 7739bond(d44,d44_11,d44_12,7).
 7740bond(d44,d44_12,d44_13,7).
 7741bond(d44,d44_13,d44_14,7).
 7742bond(d44,d44_14,d44_8,7).
 7743bond(d44,d44_13,d44_15,1).
 7744bond(d44,d44_16,d44_15,2).
 7745bond(d44,d44_15,d44_17,2).
 7746bond(d44,d44_1,d44_18,1).
 7747bond(d44,d44_2,d44_19,1).
 7748bond(d44,d44_3,d44_20,1).
 7749bond(d44,d44_6,d44_21,1).
 7750bond(d44,d44_11,d44_22,1).
 7751bond(d44,d44_12,d44_23,1).
 7752bond(d44,d44_14,d44_24,1).
 7753bond(d44,d44_9,d44_25,1).
 7754bond(d44,d44_9,d44_26,1).
 7755bond(d44,d44_10,d44_27,1).
 7756bond(d44,d44_10,d44_28,1).
 7757atm(d45,d45_1,c,22,-0.114).
 7758atm(d45,d45_2,c,22,-0.114).
 7759atm(d45,d45_3,c,22,-0.114).
 7760atm(d45,d45_4,c,22,-0.114).
 7761atm(d45,d45_5,c,22,-0.114).
 7762atm(d45,d45_6,c,22,-0.114).
 7763atm(d45,d45_7,h,3,0.146).
 7764atm(d45,d45_8,h,3,0.146).
 7765atm(d45,d45_9,h,3,0.146).
 7766atm(d45,d45_10,h,3,0.146).
 7767atm(d45,d45_11,n,38,0.817).
 7768atm(d45,d45_12,n,38,0.817).
 7769atm(d45,d45_13,o,40,-0.383).
 7770atm(d45,d45_14,o,40,-0.384).
 7771atm(d45,d45_15,o,40,-0.384).
 7772atm(d45,d45_16,o,40,-0.383).
 7773
 7774bond(d45,d45_1,d45_2,7).
 7775bond(d45,d45_2,d45_3,7).
 7776bond(d45,d45_3,d45_4,7).
 7777bond(d45,d45_4,d45_5,7).
 7778bond(d45,d45_5,d45_6,7).
 7779bond(d45,d45_6,d45_1,7).
 7780bond(d45,d45_1,d45_7,1).
 7781bond(d45,d45_3,d45_8,1).
 7782bond(d45,d45_4,d45_9,1).
 7783bond(d45,d45_6,d45_10,1).
 7784bond(d45,d45_11,d45_5,1).
 7785bond(d45,d45_2,d45_12,1).
 7786bond(d45,d45_13,d45_11,2).
 7787bond(d45,d45_11,d45_14,2).
 7788bond(d45,d45_12,d45_15,2).
 7789bond(d45,d45_12,d45_16,2).
 7790atm(d46,d46_1,c,10,-0.091).
 7791atm(d46,d46_2,c,10,-0.091).
 7792atm(d46,d46_3,c,22,0.009).
 7793atm(d46,d46_4,c,22,0.009).
 7794atm(d46,d46_5,c,10,-0.091).
 7795atm(d46,d46_6,c,10,-0.091).
 7796atm(d46,d46_7,c,22,-0.122).
 7797atm(d46,d46_8,c,27,0.009).
 7798atm(d46,d46_9,c,27,-0.091).
 7799atm(d46,d46_10,c,27,0.009).
 7800atm(d46,d46_11,c,22,-0.121).
 7801atm(d46,d46_12,c,22,-0.122).
 7802atm(d46,d46_13,c,27,0.009).
 7803atm(d46,d46_14,c,27,-0.091).
 7804atm(d46,d46_15,c,27,0.009).
 7805atm(d46,d46_16,c,22,-0.121).
 7806atm(d46,d46_17,c,22,-0.121).
 7807atm(d46,d46_18,c,22,-0.121).
 7808atm(d46,d46_19,c,22,-0.121).
 7809atm(d46,d46_20,c,22,-0.121).
 7810atm(d46,d46_21,n,38,0.808).
 7811atm(d46,d46_22,o,40,-0.392).
 7812atm(d46,d46_23,o,40,-0.392).
 7813atm(d46,d46_24,h,3,0.138).
 7814atm(d46,d46_25,h,3,0.138).
 7815atm(d46,d46_26,h,3,0.138).
 7816atm(d46,d46_27,h,3,0.138).
 7817atm(d46,d46_28,h,3,0.138).
 7818atm(d46,d46_29,h,3,0.138).
 7819atm(d46,d46_30,h,3,0.138).
 7820atm(d46,d46_31,h,3,0.059).
 7821atm(d46,d46_32,h,3,0.059).
 7822atm(d46,d46_33,h,3,0.059).
 7823atm(d46,d46_34,h,3,0.059).
 7824atm(d46,d46_35,h,3,0.059).
 7825atm(d46,d46_36,h,3,0.059).
 7826atm(d46,d46_37,h,3,0.059).
 7827atm(d46,d46_38,h,3,0.059).
 7828
 7829bond(d46,d46_1,d46_2,1).
 7830bond(d46,d46_2,d46_3,1).
 7831bond(d46,d46_3,d46_4,7).
 7832bond(d46,d46_4,d46_5,1).
 7833bond(d46,d46_5,d46_6,1).
 7834bond(d46,d46_6,d46_1,1).
 7835bond(d46,d46_3,d46_7,7).
 7836bond(d46,d46_7,d46_8,7).
 7837bond(d46,d46_8,d46_9,7).
 7838bond(d46,d46_9,d46_10,7).
 7839bond(d46,d46_10,d46_4,7).
 7840bond(d46,d46_8,d46_11,7).
 7841bond(d46,d46_11,d46_12,7).
 7842bond(d46,d46_12,d46_13,7).
 7843bond(d46,d46_13,d46_14,7).
 7844bond(d46,d46_14,d46_9,7).
 7845bond(d46,d46_14,d46_15,7).
 7846bond(d46,d46_15,d46_16,7).
 7847bond(d46,d46_16,d46_17,7).
 7848bond(d46,d46_17,d46_10,7).
 7849bond(d46,d46_13,d46_18,7).
 7850bond(d46,d46_18,d46_19,7).
 7851bond(d46,d46_19,d46_20,7).
 7852bond(d46,d46_20,d46_15,7).
 7853bond(d46,d46_21,d46_20,1).
 7854bond(d46,d46_21,d46_22,2).
 7855bond(d46,d46_23,d46_21,2).
 7856bond(d46,d46_7,d46_24,1).
 7857bond(d46,d46_11,d46_25,1).
 7858bond(d46,d46_12,d46_26,1).
 7859bond(d46,d46_16,d46_27,1).
 7860bond(d46,d46_17,d46_28,1).
 7861bond(d46,d46_18,d46_29,1).
 7862bond(d46,d46_19,d46_30,1).
 7863bond(d46,d46_5,d46_31,1).
 7864bond(d46,d46_5,d46_32,1).
 7865bond(d46,d46_1,d46_33,1).
 7866bond(d46,d46_1,d46_34,1).
 7867bond(d46,d46_6,d46_35,1).
 7868bond(d46,d46_6,d46_36,1).
 7869bond(d46,d46_2,d46_37,1).
 7870bond(d46,d46_2,d46_38,1).
 7871atm(d47,d47_1,c,22,-0.122).
 7872atm(d47,d47_2,c,22,-0.122).
 7873atm(d47,d47_3,c,22,0.008).
 7874atm(d47,d47_4,c,29,0.008).
 7875atm(d47,d47_5,c,22,0.008).
 7876atm(d47,d47_6,c,22,-0.122).
 7877atm(d47,d47_7,c,10,-0.092).
 7878atm(d47,d47_8,c,10,-0.092).
 7879atm(d47,d47_9,c,22,0.008).
 7880atm(d47,d47_10,c,29,0.008).
 7881atm(d47,d47_11,c,22,0.008).
 7882atm(d47,d47_12,c,10,-0.092).
 7883atm(d47,d47_13,c,10,-0.092).
 7884atm(d47,d47_14,c,22,-0.123).
 7885atm(d47,d47_15,c,22,-0.123).
 7886atm(d47,d47_16,c,22,-0.122).
 7887atm(d47,d47_17,n,38,0.807).
 7888atm(d47,d47_18,n,38,0.807).
 7889atm(d47,d47_19,o,40,-0.393).
 7890atm(d47,d47_20,o,40,-0.393).
 7891atm(d47,d47_21,o,40,-0.393).
 7892atm(d47,d47_22,o,40,-0.393).
 7893atm(d47,d47_23,h,3,0.137).
 7894atm(d47,d47_24,h,3,0.137).
 7895atm(d47,d47_25,h,3,0.058).
 7896atm(d47,d47_26,h,3,0.058).
 7897atm(d47,d47_27,h,3,0.058).
 7898atm(d47,d47_28,h,3,0.058).
 7899atm(d47,d47_29,h,3,0.137).
 7900atm(d47,d47_30,h,3,0.137).
 7901atm(d47,d47_31,h,3,0.058).
 7902atm(d47,d47_32,h,3,0.058).
 7903atm(d47,d47_33,h,3,0.058).
 7904atm(d47,d47_34,h,3,0.058).
 7905
 7906bond(d47,d47_1,d47_2,7).
 7907bond(d47,d47_2,d47_3,7).
 7908bond(d47,d47_3,d47_4,7).
 7909bond(d47,d47_4,d47_5,7).
 7910bond(d47,d47_5,d47_6,7).
 7911bond(d47,d47_6,d47_1,7).
 7912bond(d47,d47_3,d47_7,1).
 7913bond(d47,d47_7,d47_8,1).
 7914bond(d47,d47_8,d47_9,1).
 7915bond(d47,d47_9,d47_10,7).
 7916bond(d47,d47_10,d47_4,1).
 7917bond(d47,d47_10,d47_11,7).
 7918bond(d47,d47_11,d47_12,1).
 7919bond(d47,d47_12,d47_13,1).
 7920bond(d47,d47_13,d47_5,1).
 7921bond(d47,d47_9,d47_14,7).
 7922bond(d47,d47_14,d47_15,7).
 7923bond(d47,d47_15,d47_16,7).
 7924bond(d47,d47_16,d47_11,7).
 7925bond(d47,d47_15,d47_17,1).
 7926bond(d47,d47_1,d47_18,1).
 7927bond(d47,d47_19,d47_17,2).
 7928bond(d47,d47_17,d47_20,2).
 7929bond(d47,d47_21,d47_18,2).
 7930bond(d47,d47_18,d47_22,2).
 7931bond(d47,d47_2,d47_23,1).
 7932bond(d47,d47_6,d47_24,1).
 7933bond(d47,d47_7,d47_25,1).
 7934bond(d47,d47_7,d47_26,1).
 7935bond(d47,d47_8,d47_27,1).
 7936bond(d47,d47_8,d47_28,1).
 7937bond(d47,d47_14,d47_29,1).
 7938bond(d47,d47_16,d47_30,1).
 7939bond(d47,d47_12,d47_31,1).
 7940bond(d47,d47_12,d47_32,1).
 7941bond(d47,d47_13,d47_33,1).
 7942bond(d47,d47_13,d47_34,1).
 7943atm(d48,d48_1,c,22,-0.125).
 7944atm(d48,d48_2,c,22,-0.125).
 7945atm(d48,d48_3,c,27,0.005).
 7946atm(d48,d48_4,c,27,0.005).
 7947atm(d48,d48_5,c,22,-0.125).
 7948atm(d48,d48_6,c,22,-0.125).
 7949atm(d48,d48_7,h,3,0.135).
 7950atm(d48,d48_8,h,3,0.135).
 7951atm(d48,d48_9,h,3,0.135).
 7952atm(d48,d48_10,h,3,0.135).
 7953atm(d48,d48_11,c,22,-0.125).
 7954atm(d48,d48_12,c,27,0.005).
 7955atm(d48,d48_13,c,27,0.005).
 7956atm(d48,d48_14,c,22,-0.125).
 7957atm(d48,d48_15,h,3,0.135).
 7958atm(d48,d48_16,h,3,0.135).
 7959atm(d48,d48_17,c,22,-0.125).
 7960atm(d48,d48_18,c,22,-0.125).
 7961atm(d48,d48_19,c,22,-0.125).
 7962atm(d48,d48_20,c,22,-0.125).
 7963atm(d48,d48_21,h,3,0.135).
 7964atm(d48,d48_22,h,3,0.135).
 7965atm(d48,d48_23,h,3,0.135).
 7966atm(d48,d48_24,n,38,0.805).
 7967atm(d48,d48_25,o,40,-0.395).
 7968atm(d48,d48_26,o,40,-0.395).
 7969
 7970bond(d48,d48_1,d48_2,7).
 7971bond(d48,d48_2,d48_3,7).
 7972bond(d48,d48_3,d48_4,7).
 7973bond(d48,d48_4,d48_5,7).
 7974bond(d48,d48_5,d48_6,7).
 7975bond(d48,d48_6,d48_1,7).
 7976bond(d48,d48_1,d48_7,1).
 7977bond(d48,d48_2,d48_8,1).
 7978bond(d48,d48_5,d48_9,1).
 7979bond(d48,d48_6,d48_10,1).
 7980bond(d48,d48_3,d48_11,7).
 7981bond(d48,d48_11,d48_12,7).
 7982bond(d48,d48_12,d48_13,7).
 7983bond(d48,d48_13,d48_14,7).
 7984bond(d48,d48_14,d48_4,7).
 7985bond(d48,d48_11,d48_15,1).
 7986bond(d48,d48_14,d48_16,1).
 7987bond(d48,d48_12,d48_17,7).
 7988bond(d48,d48_17,d48_18,7).
 7989bond(d48,d48_18,d48_19,7).
 7990bond(d48,d48_19,d48_20,7).
 7991bond(d48,d48_20,d48_13,7).
 7992bond(d48,d48_17,d48_21,1).
 7993bond(d48,d48_18,d48_22,1).
 7994bond(d48,d48_20,d48_23,1).
 7995bond(d48,d48_19,d48_24,1).
 7996bond(d48,d48_25,d48_24,2).
 7997bond(d48,d48_24,d48_26,2).
 7998atm(d49,d49_1,c,22,-0.142).
 7999atm(d49,d49_2,c,22,-0.142).
 8000atm(d49,d49_3,c,22,0.188).
 8001atm(d49,d49_4,c,22,0.188).
 8002atm(d49,d49_5,c,22,-0.142).
 8003atm(d49,d49_6,c,22,-0.142).
 8004atm(d49,d49_7,h,3,0.118).
 8005atm(d49,d49_8,h,3,0.118).
 8006atm(d49,d49_9,h,3,0.118).
 8007atm(d49,d49_10,c,22,0.188).
 8008atm(d49,d49_11,c,22,-0.142).
 8009atm(d49,d49_12,c,22,-0.142).
 8010atm(d49,d49_13,c,22,-0.142).
 8011atm(d49,d49_14,c,22,-0.142).
 8012atm(d49,d49_15,c,22,0.188).
 8013atm(d49,d49_16,h,3,0.118).
 8014atm(d49,d49_17,h,3,0.118).
 8015atm(d49,d49_18,h,3,0.118).
 8016atm(d49,d49_19,n,32,-0.412).
 8017atm(d49,d49_20,n,32,-0.412).
 8018atm(d49,d49_21,h,1,0.288).
 8019atm(d49,d49_22,h,1,0.288).
 8020atm(d49,d49_23,n,38,0.787).
 8021atm(d49,d49_24,n,38,0.787).
 8022atm(d49,d49_25,o,40,-0.413).
 8023atm(d49,d49_26,o,40,-0.413).
 8024atm(d49,d49_27,o,40,-0.412).
 8025atm(d49,d49_28,o,40,-0.412).
 8026
 8027bond(d49,d49_1,d49_2,7).
 8028bond(d49,d49_2,d49_3,7).
 8029bond(d49,d49_3,d49_4,7).
 8030bond(d49,d49_4,d49_5,7).
 8031bond(d49,d49_5,d49_6,7).
 8032bond(d49,d49_6,d49_1,7).
 8033bond(d49,d49_1,d49_7,1).
 8034bond(d49,d49_2,d49_8,1).
 8035bond(d49,d49_5,d49_9,1).
 8036bond(d49,d49_10,d49_11,7).
 8037bond(d49,d49_11,d49_12,7).
 8038bond(d49,d49_12,d49_13,7).
 8039bond(d49,d49_13,d49_14,7).
 8040bond(d49,d49_14,d49_15,7).
 8041bond(d49,d49_15,d49_10,7).
 8042bond(d49,d49_11,d49_16,1).
 8043bond(d49,d49_12,d49_17,1).
 8044bond(d49,d49_14,d49_18,1).
 8045bond(d49,d49_3,d49_19,1).
 8046bond(d49,d49_19,d49_10,1).
 8047bond(d49,d49_15,d49_20,1).
 8048bond(d49,d49_20,d49_4,1).
 8049bond(d49,d49_19,d49_21,1).
 8050bond(d49,d49_20,d49_22,1).
 8051bond(d49,d49_23,d49_13,1).
 8052bond(d49,d49_24,d49_6,1).
 8053bond(d49,d49_25,d49_23,2).
 8054bond(d49,d49_23,d49_26,2).
 8055bond(d49,d49_27,d49_24,2).
 8056bond(d49,d49_24,d49_28,2).
 8057atm(d5,d5_1,c,22,0.309).
 8058atm(d5,d5_2,c,22,-0.121).
 8059atm(d5,d5_3,c,22,-0.121).
 8060atm(d5,d5_4,c,22,0.31).
 8061atm(d5,d5_5,c,22,-0.121).
 8062atm(d5,d5_6,c,22,-0.121).
 8063atm(d5,d5_7,h,3,0.139).
 8064atm(d5,d5_8,h,3,0.139).
 8065atm(d5,d5_9,h,3,0.139).
 8066atm(d5,d5_10,n,38,0.81).
 8067atm(d5,d5_11,f,92,-0.291).
 8068atm(d5,d5_12,f,92,-0.291).
 8069atm(d5,d5_13,o,40,-0.39).
 8070atm(d5,d5_14,o,40,-0.39).
 8071
 8072bond(d5,d5_1,d5_2,7).
 8073bond(d5,d5_2,d5_3,7).
 8074bond(d5,d5_3,d5_4,7).
 8075bond(d5,d5_4,d5_5,7).
 8076bond(d5,d5_5,d5_6,7).
 8077bond(d5,d5_6,d5_1,7).
 8078bond(d5,d5_2,d5_7,1).
 8079bond(d5,d5_3,d5_8,1).
 8080bond(d5,d5_6,d5_9,1).
 8081bond(d5,d5_10,d5_5,1).
 8082bond(d5,d5_11,d5_4,1).
 8083bond(d5,d5_12,d5_1,1).
 8084bond(d5,d5_10,d5_13,2).
 8085bond(d5,d5_10,d5_14,2).
 8086atm(d50,d50_1,c,22,-0.118).
 8087atm(d50,d50_2,c,22,-0.118).
 8088atm(d50,d50_3,c,27,0.012).
 8089atm(d50,d50_4,c,27,0.012).
 8090atm(d50,d50_5,c,22,-0.118).
 8091atm(d50,d50_6,c,22,-0.118).
 8092atm(d50,d50_7,h,3,0.142).
 8093atm(d50,d50_8,h,3,0.142).
 8094atm(d50,d50_9,h,3,0.142).
 8095atm(d50,d50_10,c,22,-0.118).
 8096atm(d50,d50_11,c,22,-0.118).
 8097atm(d50,d50_12,c,22,-0.118).
 8098atm(d50,d50_13,c,22,-0.118).
 8099atm(d50,d50_14,h,3,0.142).
 8100atm(d50,d50_15,h,3,0.142).
 8101atm(d50,d50_16,h,3,0.142).
 8102atm(d50,d50_17,n,38,0.811).
 8103atm(d50,d50_18,n,38,0.811).
 8104atm(d50,d50_19,o,40,-0.389).
 8105atm(d50,d50_20,o,40,-0.389).
 8106atm(d50,d50_21,o,40,-0.388).
 8107atm(d50,d50_22,o,40,-0.388).
 8108
 8109bond(d50,d50_1,d50_2,7).
 8110bond(d50,d50_2,d50_3,7).
 8111bond(d50,d50_3,d50_4,7).
 8112bond(d50,d50_4,d50_5,7).
 8113bond(d50,d50_5,d50_6,7).
 8114bond(d50,d50_6,d50_1,7).
 8115bond(d50,d50_1,d50_7,1).
 8116bond(d50,d50_5,d50_8,1).
 8117bond(d50,d50_6,d50_9,1).
 8118bond(d50,d50_3,d50_10,7).
 8119bond(d50,d50_10,d50_11,7).
 8120bond(d50,d50_11,d50_12,7).
 8121bond(d50,d50_12,d50_13,7).
 8122bond(d50,d50_13,d50_4,7).
 8123bond(d50,d50_10,d50_14,1).
 8124bond(d50,d50_11,d50_15,1).
 8125bond(d50,d50_13,d50_16,1).
 8126bond(d50,d50_12,d50_17,1).
 8127bond(d50,d50_2,d50_18,1).
 8128bond(d50,d50_19,d50_17,2).
 8129bond(d50,d50_17,d50_20,2).
 8130bond(d50,d50_18,d50_21,2).
 8131bond(d50,d50_18,d50_22,2).
 8132atm(d51,d51_1,c,22,-0.118).
 8133atm(d51,d51_2,c,22,-0.118).
 8134atm(d51,d51_3,c,27,0.012).
 8135atm(d51,d51_4,c,27,-0.089).
 8136atm(d51,d51_5,c,27,0.012).
 8137atm(d51,d51_6,c,22,-0.118).
 8138atm(d51,d51_7,c,22,-0.118).
 8139atm(d51,d51_8,c,22,-0.118).
 8140atm(d51,d51_9,c,27,0.012).
 8141atm(d51,d51_10,c,27,-0.089).
 8142atm(d51,d51_11,c,27,0.012).
 8143atm(d51,d51_12,c,22,0.012).
 8144atm(d51,d51_13,c,22,0.012).
 8145atm(d51,d51_14,c,22,-0.118).
 8146atm(d51,d51_15,c,22,-0.118).
 8147atm(d51,d51_16,c,22,-0.118).
 8148atm(d51,d51_17,c,10,-0.089).
 8149atm(d51,d51_18,c,10,-0.089).
 8150atm(d51,d51_19,c,10,-0.089).
 8151atm(d51,d51_20,c,10,-0.089).
 8152atm(d51,d51_21,n,38,0.811).
 8153atm(d51,d51_22,n,38,0.811).
 8154atm(d51,d51_23,o,40,-0.39).
 8155atm(d51,d51_24,o,40,-0.389).
 8156atm(d51,d51_25,o,40,-0.389).
 8157atm(d51,d51_26,o,40,-0.39).
 8158atm(d51,d51_27,h,3,0.141).
 8159atm(d51,d51_28,h,3,0.141).
 8160atm(d51,d51_29,h,3,0.141).
 8161atm(d51,d51_30,h,3,0.141).
 8162atm(d51,d51_31,h,3,0.141).
 8163atm(d51,d51_32,h,3,0.141).
 8164atm(d51,d51_33,h,3,0.062).
 8165atm(d51,d51_34,h,3,0.062).
 8166atm(d51,d51_35,h,3,0.062).
 8167atm(d51,d51_36,h,3,0.062).
 8168atm(d51,d51_37,h,3,0.062).
 8169atm(d51,d51_38,h,3,0.062).
 8170atm(d51,d51_39,h,3,0.062).
 8171atm(d51,d51_40,h,3,0.062).
 8172
 8173bond(d51,d51_1,d51_2,7).
 8174bond(d51,d51_2,d51_3,7).
 8175bond(d51,d51_3,d51_4,7).
 8176bond(d51,d51_4,d51_5,7).
 8177bond(d51,d51_5,d51_6,7).
 8178bond(d51,d51_6,d51_1,7).
 8179bond(d51,d51_3,d51_7,7).
 8180bond(d51,d51_7,d51_8,7).
 8181bond(d51,d51_8,d51_9,7).
 8182bond(d51,d51_9,d51_10,7).
 8183bond(d51,d51_10,d51_4,7).
 8184bond(d51,d51_10,d51_11,7).
 8185bond(d51,d51_11,d51_12,7).
 8186bond(d51,d51_12,d51_13,7).
 8187bond(d51,d51_13,d51_5,7).
 8188bond(d51,d51_9,d51_14,7).
 8189bond(d51,d51_14,d51_15,7).
 8190bond(d51,d51_15,d51_16,7).
 8191bond(d51,d51_16,d51_11,7).
 8192bond(d51,d51_12,d51_17,1).
 8193bond(d51,d51_17,d51_18,1).
 8194bond(d51,d51_18,d51_19,1).
 8195bond(d51,d51_19,d51_20,1).
 8196bond(d51,d51_20,d51_13,1).
 8197bond(d51,d51_21,d51_16,1).
 8198bond(d51,d51_2,d51_22,1).
 8199bond(d51,d51_23,d51_21,2).
 8200bond(d51,d51_21,d51_24,2).
 8201bond(d51,d51_22,d51_25,2).
 8202bond(d51,d51_22,d51_26,2).
 8203bond(d51,d51_1,d51_27,1).
 8204bond(d51,d51_6,d51_28,1).
 8205bond(d51,d51_7,d51_29,1).
 8206bond(d51,d51_8,d51_30,1).
 8207bond(d51,d51_14,d51_31,1).
 8208bond(d51,d51_15,d51_32,1).
 8209bond(d51,d51_17,d51_33,1).
 8210bond(d51,d51_17,d51_34,1).
 8211bond(d51,d51_18,d51_35,1).
 8212bond(d51,d51_18,d51_36,1).
 8213bond(d51,d51_19,d51_37,1).
 8214bond(d51,d51_19,d51_38,1).
 8215bond(d51,d51_20,d51_39,1).
 8216bond(d51,d51_20,d51_40,1).
 8217atm(d52,d52_1,c,22,-0.118).
 8218atm(d52,d52_2,c,22,-0.118).
 8219atm(d52,d52_3,c,27,0.012).
 8220atm(d52,d52_4,c,27,-0.089).
 8221atm(d52,d52_5,c,27,0.012).
 8222atm(d52,d52_6,c,22,-0.118).
 8223atm(d52,d52_7,c,22,-0.118).
 8224atm(d52,d52_8,c,22,-0.118).
 8225atm(d52,d52_9,c,27,0.012).
 8226atm(d52,d52_10,c,27,-0.089).
 8227atm(d52,d52_11,c,27,0.012).
 8228atm(d52,d52_12,c,22,0.012).
 8229atm(d52,d52_13,c,22,0.012).
 8230atm(d52,d52_14,c,22,-0.118).
 8231atm(d52,d52_15,c,22,-0.118).
 8232atm(d52,d52_16,c,22,-0.118).
 8233atm(d52,d52_17,c,10,-0.089).
 8234atm(d52,d52_18,c,10,-0.089).
 8235atm(d52,d52_19,c,10,-0.089).
 8236atm(d52,d52_20,c,10,-0.089).
 8237atm(d52,d52_21,n,38,0.811).
 8238atm(d52,d52_22,o,40,-0.389).
 8239atm(d52,d52_23,o,40,-0.39).
 8240atm(d52,d52_24,n,38,0.811).
 8241atm(d52,d52_25,o,40,-0.389).
 8242atm(d52,d52_26,o,40,-0.39).
 8243atm(d52,d52_27,h,3,0.141).
 8244atm(d52,d52_28,h,3,0.141).
 8245atm(d52,d52_29,h,3,0.141).
 8246atm(d52,d52_30,h,3,0.141).
 8247atm(d52,d52_31,h,3,0.141).
 8248atm(d52,d52_32,h,3,0.141).
 8249atm(d52,d52_33,h,3,0.062).
 8250atm(d52,d52_34,h,3,0.062).
 8251atm(d52,d52_35,h,3,0.062).
 8252atm(d52,d52_36,h,3,0.062).
 8253atm(d52,d52_37,h,3,0.062).
 8254atm(d52,d52_38,h,3,0.062).
 8255atm(d52,d52_39,h,3,0.062).
 8256atm(d52,d52_40,h,3,0.062).
 8257
 8258bond(d52,d52_1,d52_2,7).
 8259bond(d52,d52_2,d52_3,7).
 8260bond(d52,d52_3,d52_4,7).
 8261bond(d52,d52_4,d52_5,7).
 8262bond(d52,d52_5,d52_6,7).
 8263bond(d52,d52_6,d52_1,7).
 8264bond(d52,d52_3,d52_7,7).
 8265bond(d52,d52_7,d52_8,7).
 8266bond(d52,d52_8,d52_9,7).
 8267bond(d52,d52_9,d52_10,7).
 8268bond(d52,d52_10,d52_4,7).
 8269bond(d52,d52_10,d52_11,7).
 8270bond(d52,d52_11,d52_12,7).
 8271bond(d52,d52_12,d52_13,7).
 8272bond(d52,d52_13,d52_5,7).
 8273bond(d52,d52_9,d52_14,7).
 8274bond(d52,d52_14,d52_15,7).
 8275bond(d52,d52_15,d52_16,7).
 8276bond(d52,d52_16,d52_11,7).
 8277bond(d52,d52_12,d52_17,1).
 8278bond(d52,d52_17,d52_18,1).
 8279bond(d52,d52_18,d52_19,1).
 8280bond(d52,d52_19,d52_20,1).
 8281bond(d52,d52_20,d52_13,1).
 8282bond(d52,d52_21,d52_16,1).
 8283bond(d52,d52_22,d52_21,2).
 8284bond(d52,d52_21,d52_23,2).
 8285bond(d52,d52_14,d52_24,1).
 8286bond(d52,d52_25,d52_24,2).
 8287bond(d52,d52_24,d52_26,2).
 8288bond(d52,d52_1,d52_27,1).
 8289bond(d52,d52_2,d52_28,1).
 8290bond(d52,d52_6,d52_29,1).
 8291bond(d52,d52_7,d52_30,1).
 8292bond(d52,d52_8,d52_31,1).
 8293bond(d52,d52_15,d52_32,1).
 8294bond(d52,d52_17,d52_33,1).
 8295bond(d52,d52_17,d52_34,1).
 8296bond(d52,d52_18,d52_35,1).
 8297bond(d52,d52_18,d52_36,1).
 8298bond(d52,d52_19,d52_37,1).
 8299bond(d52,d52_19,d52_38,1).
 8300bond(d52,d52_20,d52_39,1).
 8301bond(d52,d52_20,d52_40,1).
 8302atm(d53,d53_1,c,22,-0.114).
 8303atm(d53,d53_2,c,22,-0.114).
 8304atm(d53,d53_3,c,22,-0.114).
 8305atm(d53,d53_4,c,29,0.016).
 8306atm(d53,d53_5,c,22,-0.114).
 8307atm(d53,d53_6,c,22,-0.114).
 8308atm(d53,d53_7,h,3,0.145).
 8309atm(d53,d53_8,h,3,0.145).
 8310atm(d53,d53_9,h,3,0.145).
 8311atm(d53,d53_10,c,22,-0.114).
 8312atm(d53,d53_11,c,22,-0.114).
 8313atm(d53,d53_12,c,22,-0.114).
 8314atm(d53,d53_13,c,22,-0.114).
 8315atm(d53,d53_14,c,22,-0.114).
 8316atm(d53,d53_15,c,29,0.016).
 8317atm(d53,d53_16,h,3,0.145).
 8318atm(d53,d53_17,h,3,0.145).
 8319atm(d53,d53_18,h,3,0.145).
 8320atm(d53,d53_19,c,10,0.016).
 8321atm(d53,d53_20,h,3,0.066).
 8322atm(d53,d53_21,h,3,0.066).
 8323atm(d53,d53_22,n,38,0.815).
 8324atm(d53,d53_23,n,38,0.815).
 8325atm(d53,d53_24,o,40,-0.385).
 8326atm(d53,d53_25,o,40,-0.385).
 8327atm(d53,d53_26,o,40,-0.385).
 8328atm(d53,d53_27,o,40,-0.385).
 8329
 8330bond(d53,d53_1,d53_2,7).
 8331bond(d53,d53_2,d53_3,7).
 8332bond(d53,d53_3,d53_4,7).
 8333bond(d53,d53_4,d53_5,7).
 8334bond(d53,d53_5,d53_6,7).
 8335bond(d53,d53_6,d53_1,7).
 8336bond(d53,d53_2,d53_7,1).
 8337bond(d53,d53_5,d53_8,1).
 8338bond(d53,d53_6,d53_9,1).
 8339bond(d53,d53_10,d53_11,7).
 8340bond(d53,d53_11,d53_12,7).
 8341bond(d53,d53_12,d53_13,7).
 8342bond(d53,d53_13,d53_14,7).
 8343bond(d53,d53_14,d53_15,7).
 8344bond(d53,d53_15,d53_10,7).
 8345bond(d53,d53_11,d53_16,1).
 8346bond(d53,d53_13,d53_17,1).
 8347bond(d53,d53_14,d53_18,1).
 8348bond(d53,d53_4,d53_15,1).
 8349bond(d53,d53_3,d53_19,1).
 8350bond(d53,d53_19,d53_10,1).
 8351bond(d53,d53_19,d53_20,1).
 8352bond(d53,d53_19,d53_21,1).
 8353bond(d53,d53_12,d53_22,1).
 8354bond(d53,d53_1,d53_23,1).
 8355bond(d53,d53_22,d53_24,2).
 8356bond(d53,d53_22,d53_25,2).
 8357bond(d53,d53_23,d53_26,2).
 8358bond(d53,d53_23,d53_27,2).
 8359atm(d54,d54_1,c,22,-0.108).
 8360atm(d54,d54_2,c,22,-0.108).
 8361atm(d54,d54_3,c,22,0.202).
 8362atm(d54,d54_4,c,22,0.202).
 8363atm(d54,d54_5,c,22,-0.108).
 8364atm(d54,d54_6,c,22,-0.108).
 8365atm(d54,d54_7,h,3,0.152).
 8366atm(d54,d54_8,h,3,0.152).
 8367atm(d54,d54_9,h,3,0.152).
 8368atm(d54,d54_10,c,22,0.202).
 8369atm(d54,d54_11,c,22,-0.108).
 8370atm(d54,d54_12,c,22,-0.108).
 8371atm(d54,d54_13,c,22,-0.108).
 8372atm(d54,d54_14,c,22,-0.108).
 8373atm(d54,d54_15,c,22,0.202).
 8374atm(d54,d54_16,h,3,0.152).
 8375atm(d54,d54_17,h,3,0.152).
 8376atm(d54,d54_18,o,50,-0.208).
 8377atm(d54,d54_19,o,50,-0.208).
 8378atm(d54,d54_20,n,38,0.823).
 8379atm(d54,d54_21,o,40,-0.377).
 8380atm(d54,d54_22,o,40,-0.378).
 8381atm(d54,d54_23,cl,93,-0.178).
 8382atm(d54,d54_24,cl,93,-0.178).
 8383
 8384bond(d54,d54_1,d54_2,7).
 8385bond(d54,d54_2,d54_3,7).
 8386bond(d54,d54_3,d54_4,7).
 8387bond(d54,d54_4,d54_5,7).
 8388bond(d54,d54_5,d54_6,7).
 8389bond(d54,d54_6,d54_1,7).
 8390bond(d54,d54_2,d54_7,1).
 8391bond(d54,d54_5,d54_8,1).
 8392bond(d54,d54_6,d54_9,1).
 8393bond(d54,d54_10,d54_11,7).
 8394bond(d54,d54_11,d54_12,7).
 8395bond(d54,d54_12,d54_13,7).
 8396bond(d54,d54_13,d54_14,7).
 8397bond(d54,d54_14,d54_15,7).
 8398bond(d54,d54_15,d54_10,7).
 8399bond(d54,d54_11,d54_16,1).
 8400bond(d54,d54_14,d54_17,1).
 8401bond(d54,d54_3,d54_18,1).
 8402bond(d54,d54_18,d54_10,1).
 8403bond(d54,d54_15,d54_19,1).
 8404bond(d54,d54_19,d54_4,1).
 8405bond(d54,d54_1,d54_20,1).
 8406bond(d54,d54_21,d54_20,2).
 8407bond(d54,d54_20,d54_22,2).
 8408bond(d54,d54_13,d54_23,1).
 8409bond(d54,d54_12,d54_24,1).
 8410atm(d55,d55_1,c,22,-0.123).
 8411atm(d55,d55_2,c,22,-0.123).
 8412atm(d55,d55_3,c,27,0.007).
 8413atm(d55,d55_4,c,27,0.007).
 8414atm(d55,d55_5,c,22,-0.123).
 8415atm(d55,d55_6,c,22,-0.123).
 8416atm(d55,d55_7,h,3,0.137).
 8417atm(d55,d55_8,h,3,0.137).
 8418atm(d55,d55_9,h,3,0.137).
 8419atm(d55,d55_10,h,3,0.137).
 8420atm(d55,d55_11,c,22,-0.123).
 8421atm(d55,d55_12,c,22,-0.123).
 8422atm(d55,d55_13,c,22,-0.123).
 8423atm(d55,d55_14,c,22,-0.173).
 8424atm(d55,d55_15,h,3,0.137).
 8425atm(d55,d55_16,h,3,0.137).
 8426atm(d55,d55_17,c,10,0.007).
 8427atm(d55,d55_18,h,3,0.057).
 8428atm(d55,d55_19,h,3,0.057).
 8429atm(d55,d55_20,h,3,0.057).
 8430atm(d55,d55_21,n,38,0.806).
 8431atm(d55,d55_22,o,40,-0.393).
 8432atm(d55,d55_23,o,40,-0.393).
 8433
 8434bond(d55,d55_1,d55_2,7).
 8435bond(d55,d55_2,d55_3,7).
 8436bond(d55,d55_3,d55_4,7).
 8437bond(d55,d55_4,d55_5,7).
 8438bond(d55,d55_5,d55_6,7).
 8439bond(d55,d55_6,d55_1,7).
 8440bond(d55,d55_1,d55_7,1).
 8441bond(d55,d55_2,d55_8,1).
 8442bond(d55,d55_5,d55_9,1).
 8443bond(d55,d55_6,d55_10,1).
 8444bond(d55,d55_3,d55_11,7).
 8445bond(d55,d55_11,d55_12,7).
 8446bond(d55,d55_12,d55_13,7).
 8447bond(d55,d55_13,d55_14,7).
 8448bond(d55,d55_14,d55_4,7).
 8449bond(d55,d55_11,d55_15,1).
 8450bond(d55,d55_12,d55_16,1).
 8451bond(d55,d55_17,d55_14,1).
 8452bond(d55,d55_17,d55_18,1).
 8453bond(d55,d55_17,d55_19,1).
 8454bond(d55,d55_17,d55_20,1).
 8455bond(d55,d55_13,d55_21,1).
 8456bond(d55,d55_22,d55_21,2).
 8457bond(d55,d55_21,d55_23,2).
 8458atm(d56,d56_1,c,22,-0.148).
 8459atm(d56,d56_2,c,22,-0.148).
 8460atm(d56,d56_3,c,22,0.182).
 8461atm(d56,d56_4,c,22,0.182).
 8462atm(d56,d56_5,c,22,-0.148).
 8463atm(d56,d56_6,c,22,-0.148).
 8464atm(d56,d56_7,h,3,0.112).
 8465atm(d56,d56_8,h,3,0.112).
 8466atm(d56,d56_9,h,3,0.112).
 8467atm(d56,d56_10,h,3,0.112).
 8468atm(d56,d56_11,c,22,0.182).
 8469atm(d56,d56_12,c,22,-0.148).
 8470atm(d56,d56_13,c,22,-0.148).
 8471atm(d56,d56_14,c,22,-0.148).
 8472atm(d56,d56_15,c,22,-0.148).
 8473atm(d56,d56_16,c,22,0.182).
 8474atm(d56,d56_17,h,3,0.112).
 8475atm(d56,d56_18,h,3,0.112).
 8476atm(d56,d56_19,h,3,0.112).
 8477atm(d56,d56_20,n,32,-0.419).
 8478atm(d56,d56_21,n,32,-0.418).
 8479atm(d56,d56_22,h,1,0.282).
 8480atm(d56,d56_23,h,1,0.282).
 8481atm(d56,d56_24,n,38,0.781).
 8482atm(d56,d56_25,o,40,-0.418).
 8483atm(d56,d56_26,o,40,-0.418).
 8484
 8485bond(d56,d56_1,d56_2,7).
 8486bond(d56,d56_2,d56_3,7).
 8487bond(d56,d56_3,d56_4,7).
 8488bond(d56,d56_4,d56_5,7).
 8489bond(d56,d56_5,d56_6,7).
 8490bond(d56,d56_6,d56_1,7).
 8491bond(d56,d56_1,d56_7,1).
 8492bond(d56,d56_2,d56_8,1).
 8493bond(d56,d56_5,d56_9,1).
 8494bond(d56,d56_6,d56_10,1).
 8495bond(d56,d56_11,d56_12,7).
 8496bond(d56,d56_12,d56_13,7).
 8497bond(d56,d56_13,d56_14,7).
 8498bond(d56,d56_14,d56_15,7).
 8499bond(d56,d56_15,d56_16,7).
 8500bond(d56,d56_16,d56_11,7).
 8501bond(d56,d56_12,d56_17,1).
 8502bond(d56,d56_13,d56_18,1).
 8503bond(d56,d56_15,d56_19,1).
 8504bond(d56,d56_3,d56_20,1).
 8505bond(d56,d56_20,d56_11,1).
 8506bond(d56,d56_16,d56_21,1).
 8507bond(d56,d56_21,d56_4,1).
 8508bond(d56,d56_20,d56_22,1).
 8509bond(d56,d56_21,d56_23,1).
 8510bond(d56,d56_14,d56_24,1).
 8511bond(d56,d56_25,d56_24,2).
 8512bond(d56,d56_24,d56_26,2).
 8513atm(d57,d57_1,c,22,-0.116).
 8514atm(d57,d57_2,c,22,-0.116).
 8515atm(d57,d57_3,c,22,-0.116).
 8516atm(d57,d57_4,c,29,0.014).
 8517atm(d57,d57_5,c,22,-0.116).
 8518atm(d57,d57_6,c,22,-0.116).
 8519atm(d57,d57_7,h,3,0.144).
 8520atm(d57,d57_8,h,3,0.144).
 8521atm(d57,d57_9,h,3,0.144).
 8522atm(d57,d57_10,h,3,0.144).
 8523atm(d57,d57_11,c,29,0.014).
 8524atm(d57,d57_12,c,22,-0.116).
 8525atm(d57,d57_13,c,22,-0.116).
 8526atm(d57,d57_14,c,22,-0.116).
 8527atm(d57,d57_15,c,22,-0.116).
 8528atm(d57,d57_16,c,22,-0.116).
 8529atm(d57,d57_17,h,3,0.144).
 8530atm(d57,d57_18,h,3,0.144).
 8531atm(d57,d57_19,h,3,0.144).
 8532atm(d57,d57_20,n,38,0.813).
 8533atm(d57,d57_21,n,38,0.813).
 8534atm(d57,d57_22,n,38,0.814).
 8535atm(d57,d57_23,o,40,-0.386).
 8536atm(d57,d57_24,o,40,-0.386).
 8537atm(d57,d57_25,o,40,-0.386).
 8538atm(d57,d57_26,o,40,-0.386).
 8539atm(d57,d57_27,o,40,-0.386).
 8540atm(d57,d57_28,o,40,-0.386).
 8541
 8542bond(d57,d57_1,d57_2,7).
 8543bond(d57,d57_2,d57_3,7).
 8544bond(d57,d57_3,d57_4,7).
 8545bond(d57,d57_4,d57_5,7).
 8546bond(d57,d57_5,d57_6,7).
 8547bond(d57,d57_6,d57_1,7).
 8548bond(d57,d57_2,d57_7,1).
 8549bond(d57,d57_3,d57_8,1).
 8550bond(d57,d57_5,d57_9,1).
 8551bond(d57,d57_6,d57_10,1).
 8552bond(d57,d57_11,d57_12,7).
 8553bond(d57,d57_12,d57_13,7).
 8554bond(d57,d57_13,d57_14,7).
 8555bond(d57,d57_14,d57_15,7).
 8556bond(d57,d57_15,d57_16,7).
 8557bond(d57,d57_16,d57_11,7).
 8558bond(d57,d57_12,d57_17,1).
 8559bond(d57,d57_13,d57_18,1).
 8560bond(d57,d57_15,d57_19,1).
 8561bond(d57,d57_11,d57_4,1).
 8562bond(d57,d57_20,d57_16,1).
 8563bond(d57,d57_14,d57_21,1).
 8564bond(d57,d57_1,d57_22,1).
 8565bond(d57,d57_23,d57_20,2).
 8566bond(d57,d57_20,d57_24,2).
 8567bond(d57,d57_25,d57_21,2).
 8568bond(d57,d57_21,d57_26,2).
 8569bond(d57,d57_27,d57_22,2).
 8570bond(d57,d57_22,d57_28,2).
 8571atm(d58,d58_1,c,22,-0.099).
 8572atm(d58,d58_2,c,22,-0.099).
 8573atm(d58,d58_3,c,27,0.031).
 8574atm(d58,d58_4,c,195,-0.069).
 8575atm(d58,d58_5,c,22,-0.099).
 8576atm(d58,d58_6,c,22,-0.099).
 8577atm(d58,d58_7,c,22,-0.099).
 8578atm(d58,d58_8,c,22,-0.099).
 8579atm(d58,d58_9,c,27,0.031).
 8580atm(d58,d58_10,c,195,-0.069).
 8581atm(d58,d58_11,c,22,-0.099).
 8582atm(d58,d58_12,c,10,0.031).
 8583atm(d58,d58_13,c,10,0.031).
 8584atm(d58,d58_14,c,22,-0.099).
 8585atm(d58,d58_15,c,22,-0.099).
 8586atm(d58,d58_16,c,22,-0.099).
 8587atm(d58,d58_17,n,38,0.83).
 8588atm(d58,d58_18,o,40,-0.369).
 8589atm(d58,d58_19,o,40,-0.369).
 8590atm(d58,d58_20,h,3,0.161).
 8591atm(d58,d58_21,h,3,0.161).
 8592atm(d58,d58_22,h,3,0.161).
 8593atm(d58,d58_23,h,3,0.161).
 8594atm(d58,d58_24,h,3,0.161).
 8595atm(d58,d58_25,h,3,0.161).
 8596atm(d58,d58_26,h,3,0.161).
 8597atm(d58,d58_27,o,45,-0.62).
 8598atm(d58,d58_28,o,45,-0.619).
 8599atm(d58,d58_29,h,8,0.431).
 8600atm(d58,d58_30,h,8,0.431).
 8601atm(d58,d58_31,h,3,0.081).
 8602atm(d58,d58_32,h,3,0.081).
 8603
 8604bond(d58,d58_1,d58_2,7).
 8605bond(d58,d58_2,d58_3,7).
 8606bond(d58,d58_3,d58_4,7).
 8607bond(d58,d58_4,d58_5,7).
 8608bond(d58,d58_5,d58_6,7).
 8609bond(d58,d58_6,d58_1,7).
 8610bond(d58,d58_3,d58_7,7).
 8611bond(d58,d58_7,d58_8,7).
 8612bond(d58,d58_8,d58_9,7).
 8613bond(d58,d58_9,d58_10,7).
 8614bond(d58,d58_10,d58_4,7).
 8615bond(d58,d58_10,d58_11,7).
 8616bond(d58,d58_11,d58_12,1).
 8617bond(d58,d58_12,d58_13,1).
 8618bond(d58,d58_13,d58_5,1).
 8619bond(d58,d58_9,d58_14,7).
 8620bond(d58,d58_14,d58_15,7).
 8621bond(d58,d58_15,d58_16,7).
 8622bond(d58,d58_16,d58_11,7).
 8623bond(d58,d58_14,d58_17,1).
 8624bond(d58,d58_17,d58_18,2).
 8625bond(d58,d58_17,d58_19,2).
 8626bond(d58,d58_1,d58_20,1).
 8627bond(d58,d58_2,d58_21,1).
 8628bond(d58,d58_6,d58_22,1).
 8629bond(d58,d58_7,d58_23,1).
 8630bond(d58,d58_8,d58_24,1).
 8631bond(d58,d58_15,d58_25,1).
 8632bond(d58,d58_16,d58_26,1).
 8633bond(d58,d58_12,d58_27,4).
 8634bond(d58,d58_13,d58_28,5).
 8635bond(d58,d58_27,d58_29,1).
 8636bond(d58,d58_28,d58_30,1).
 8637bond(d58,d58_12,d58_31,1).
 8638bond(d58,d58_13,d58_32,1).
 8639atm(d59,d59_1,c,22,-0.115).
 8640atm(d59,d59_2,c,27,0.015).
 8641atm(d59,d59_3,c,27,-0.085).
 8642atm(d59,d59_4,c,22,-0.115).
 8643atm(d59,d59_5,c,22,-0.115).
 8644atm(d59,d59_6,c,22,-0.115).
 8645atm(d59,d59_7,c,22,-0.115).
 8646atm(d59,d59_8,c,22,-0.115).
 8647atm(d59,d59_9,c,27,0.015).
 8648atm(d59,d59_10,c,27,-0.085).
 8649atm(d59,d59_11,c,22,-0.115).
 8650atm(d59,d59_12,c,27,0.015).
 8651atm(d59,d59_13,c,27,-0.085).
 8652atm(d59,d59_14,c,25,-0.085).
 8653atm(d59,d59_15,c,22,-0.115).
 8654atm(d59,d59_16,c,22,-0.115).
 8655atm(d59,d59_17,c,22,-0.115).
 8656atm(d59,d59_18,c,26,-0.085).
 8657atm(d59,d59_19,c,21,-0.115).
 8658atm(d59,d59_20,c,21,0.015).
 8659atm(d59,d59_21,h,3,0.144).
 8660atm(d59,d59_22,h,3,0.144).
 8661atm(d59,d59_23,h,3,0.144).
 8662atm(d59,d59_24,h,3,0.145).
 8663atm(d59,d59_25,h,3,0.145).
 8664atm(d59,d59_26,h,3,0.145).
 8665atm(d59,d59_27,h,3,0.145).
 8666atm(d59,d59_28,h,3,0.144).
 8667atm(d59,d59_29,h,3,0.144).
 8668atm(d59,d59_30,h,3,0.144).
 8669atm(d59,d59_31,h,3,0.144).
 8670atm(d59,d59_32,n,38,0.814).
 8671atm(d59,d59_33,o,40,-0.386).
 8672atm(d59,d59_34,o,40,-0.386).
 8673
 8674bond(d59,d59_1,d59_2,7).
 8675bond(d59,d59_2,d59_3,7).
 8676bond(d59,d59_3,d59_4,7).
 8677bond(d59,d59_4,d59_5,7).
 8678bond(d59,d59_5,d59_6,7).
 8679bond(d59,d59_6,d59_1,7).
 8680bond(d59,d59_2,d59_7,7).
 8681bond(d59,d59_7,d59_8,7).
 8682bond(d59,d59_8,d59_9,7).
 8683bond(d59,d59_9,d59_10,7).
 8684bond(d59,d59_10,d59_3,7).
 8685bond(d59,d59_9,d59_11,7).
 8686bond(d59,d59_11,d59_12,7).
 8687bond(d59,d59_12,d59_13,7).
 8688bond(d59,d59_13,d59_14,7).
 8689bond(d59,d59_14,d59_10,7).
 8690bond(d59,d59_12,d59_15,7).
 8691bond(d59,d59_15,d59_16,7).
 8692bond(d59,d59_16,d59_17,7).
 8693bond(d59,d59_17,d59_18,7).
 8694bond(d59,d59_18,d59_13,7).
 8695bond(d59,d59_19,d59_14,7).
 8696bond(d59,d59_19,d59_20,7).
 8697bond(d59,d59_20,d59_18,7).
 8698bond(d59,d59_1,d59_21,1).
 8699bond(d59,d59_4,d59_22,1).
 8700bond(d59,d59_5,d59_23,1).
 8701bond(d59,d59_6,d59_24,1).
 8702bond(d59,d59_7,d59_25,1).
 8703bond(d59,d59_8,d59_26,1).
 8704bond(d59,d59_11,d59_27,1).
 8705bond(d59,d59_15,d59_28,1).
 8706bond(d59,d59_16,d59_29,1).
 8707bond(d59,d59_17,d59_30,1).
 8708bond(d59,d59_19,d59_31,1).
 8709bond(d59,d59_32,d59_20,1).
 8710bond(d59,d59_33,d59_32,2).
 8711bond(d59,d59_32,d59_34,2).
 8712atm(d6,d6_1,c,22,-0.109).
 8713atm(d6,d6_2,c,22,-0.109).
 8714atm(d6,d6_3,c,27,0.021).
 8715atm(d6,d6_4,c,27,-0.079).
 8716atm(d6,d6_5,c,27,0.021).
 8717atm(d6,d6_6,c,22,-0.109).
 8718atm(d6,d6_7,c,27,-0.079).
 8719atm(d6,d6_8,c,27,0.021).
 8720atm(d6,d6_9,c,22,-0.109).
 8721atm(d6,d6_10,c,22,-0.109).
 8722atm(d6,d6_11,c,22,-0.109).
 8723atm(d6,d6_12,c,22,-0.109).
 8724atm(d6,d6_13,c,27,0.021).
 8725atm(d6,d6_14,c,22,-0.109).
 8726atm(d6,d6_15,c,22,-0.109).
 8727atm(d6,d6_16,c,22,-0.109).
 8728atm(d6,d6_17,h,3,0.151).
 8729atm(d6,d6_18,h,3,0.151).
 8730atm(d6,d6_19,h,3,0.151).
 8731atm(d6,d6_20,h,3,0.151).
 8732atm(d6,d6_21,h,3,0.151).
 8733atm(d6,d6_22,h,3,0.151).
 8734atm(d6,d6_23,n,38,0.822).
 8735atm(d6,d6_24,n,38,0.822).
 8736atm(d6,d6_25,o,40,-0.379).
 8737atm(d6,d6_26,o,40,-0.379).
 8738atm(d6,d6_27,o,40,-0.379).
 8739atm(d6,d6_28,o,40,-0.379).
 8740atm(d6,d6_29,o,40,-0.378).
 8741atm(d6,d6_30,o,40,-0.379).
 8742atm(d6,d6_31,o,40,-0.379).
 8743atm(d6,d6_32,o,40,-0.378).
 8744atm(d6,d6_33,n,38,0.822).
 8745atm(d6,d6_34,n,38,0.822).
 8746
 8747bond(d6,d6_1,d6_2,7).
 8748bond(d6,d6_2,d6_3,7).
 8749bond(d6,d6_3,d6_4,7).
 8750bond(d6,d6_4,d6_5,7).
 8751bond(d6,d6_5,d6_6,7).
 8752bond(d6,d6_6,d6_1,7).
 8753bond(d6,d6_4,d6_7,7).
 8754bond(d6,d6_7,d6_8,7).
 8755bond(d6,d6_8,d6_9,7).
 8756bond(d6,d6_9,d6_10,7).
 8757bond(d6,d6_10,d6_5,7).
 8758bond(d6,d6_3,d6_11,7).
 8759bond(d6,d6_11,d6_12,7).
 8760bond(d6,d6_12,d6_13,7).
 8761bond(d6,d6_13,d6_7,7).
 8762bond(d6,d6_14,d6_15,7).
 8763bond(d6,d6_15,d6_8,7).
 8764bond(d6,d6_16,d6_13,7).
 8765bond(d6,d6_14,d6_16,7).
 8766bond(d6,d6_1,d6_17,1).
 8767bond(d6,d6_9,d6_18,1).
 8768bond(d6,d6_10,d6_19,1).
 8769bond(d6,d6_11,d6_20,1).
 8770bond(d6,d6_12,d6_21,1).
 8771bond(d6,d6_14,d6_22,1).
 8772bond(d6,d6_23,d6_16,1).
 8773bond(d6,d6_24,d6_2,1).
 8774bond(d6,d6_27,d6_23,2).
 8775bond(d6,d6_23,d6_28,2).
 8776bond(d6,d6_24,d6_29,2).
 8777bond(d6,d6_24,d6_30,2).
 8778bond(d6,d6_6,d6_33,1).
 8779bond(d6,d6_32,d6_33,2).
 8780bond(d6,d6_31,d6_33,2).
 8781bond(d6,d6_15,d6_34,1).
 8782bond(d6,d6_26,d6_34,2).
 8783bond(d6,d6_25,d6_34,2).
 8784atm(d60,d60_1,c,22,-0.114).
 8785atm(d60,d60_2,c,22,-0.114).
 8786atm(d60,d60_3,c,27,0.016).
 8787atm(d60,d60_4,c,27,0.016).
 8788atm(d60,d60_5,c,22,-0.114).
 8789atm(d60,d60_6,c,22,-0.114).
 8790atm(d60,d60_7,h,3,0.146).
 8791atm(d60,d60_8,h,3,0.146).
 8792atm(d60,d60_9,h,3,0.146).
 8793atm(d60,d60_10,c,22,-0.114).
 8794atm(d60,d60_11,c,22,-0.114).
 8795atm(d60,d60_12,c,22,-0.114).
 8796atm(d60,d60_13,c,22,-0.114).
 8797atm(d60,d60_14,h,3,0.146).
 8798atm(d60,d60_15,h,3,0.146).
 8799atm(d60,d60_16,n,38,0.817).
 8800atm(d60,d60_17,n,38,0.817).
 8801atm(d60,d60_18,n,38,0.817).
 8802atm(d60,d60_19,o,40,-0.384).
 8803atm(d60,d60_20,o,40,-0.384).
 8804atm(d60,d60_21,o,40,-0.383).
 8805atm(d60,d60_22,o,40,-0.384).
 8806atm(d60,d60_23,o,40,-0.383).
 8807atm(d60,d60_24,o,40,-0.383).
 8808
 8809bond(d60,d60_1,d60_2,7).
 8810bond(d60,d60_2,d60_3,7).
 8811bond(d60,d60_3,d60_4,7).
 8812bond(d60,d60_4,d60_5,7).
 8813bond(d60,d60_5,d60_6,7).
 8814bond(d60,d60_6,d60_1,7).
 8815bond(d60,d60_1,d60_7,1).
 8816bond(d60,d60_2,d60_8,1).
 8817bond(d60,d60_6,d60_9,1).
 8818bond(d60,d60_3,d60_10,7).
 8819bond(d60,d60_10,d60_11,7).
 8820bond(d60,d60_11,d60_12,7).
 8821bond(d60,d60_12,d60_13,7).
 8822bond(d60,d60_13,d60_4,7).
 8823bond(d60,d60_10,d60_14,1).
 8824bond(d60,d60_12,d60_15,1).
 8825bond(d60,d60_16,d60_13,1).
 8826bond(d60,d60_11,d60_17,1).
 8827bond(d60,d60_18,d60_5,1).
 8828bond(d60,d60_19,d60_18,2).
 8829bond(d60,d60_18,d60_20,2).
 8830bond(d60,d60_21,d60_16,2).
 8831bond(d60,d60_16,d60_22,2).
 8832bond(d60,d60_23,d60_17,2).
 8833bond(d60,d60_17,d60_24,2).
 8834atm(d61,d61_1,c,22,-0.105).
 8835atm(d61,d61_2,c,22,-0.105).
 8836atm(d61,d61_3,c,22,-0.105).
 8837atm(d61,d61_4,c,29,0.025).
 8838atm(d61,d61_5,c,22,-0.105).
 8839atm(d61,d61_6,c,22,-0.105).
 8840atm(d61,d61_7,h,3,0.155).
 8841atm(d61,d61_8,h,3,0.154).
 8842atm(d61,d61_9,h,3,0.155).
 8843atm(d61,d61_10,c,22,-0.105).
 8844atm(d61,d61_11,c,22,-0.105).
 8845atm(d61,d61_12,c,22,-0.105).
 8846atm(d61,d61_13,c,22,-0.105).
 8847atm(d61,d61_14,c,22,-0.105).
 8848atm(d61,d61_15,c,29,0.025).
 8849atm(d61,d61_16,h,3,0.155).
 8850atm(d61,d61_17,h,3,0.155).
 8851atm(d61,d61_18,h,3,0.155).
 8852atm(d61,d61_19,c,10,0.025).
 8853atm(d61,d61_20,h,3,0.075).
 8854atm(d61,d61_21,h,3,0.075).
 8855atm(d61,d61_22,cl,93,-0.176).
 8856atm(d61,d61_23,n,38,0.824).
 8857atm(d61,d61_24,o,40,-0.376).
 8858atm(d61,d61_25,o,40,-0.376).
 8859
 8860bond(d61,d61_1,d61_2,7).
 8861bond(d61,d61_2,d61_3,7).
 8862bond(d61,d61_3,d61_4,7).
 8863bond(d61,d61_4,d61_5,7).
 8864bond(d61,d61_5,d61_6,7).
 8865bond(d61,d61_6,d61_1,7).
 8866bond(d61,d61_2,d61_7,1).
 8867bond(d61,d61_5,d61_8,1).
 8868bond(d61,d61_6,d61_9,1).
 8869bond(d61,d61_10,d61_11,7).
 8870bond(d61,d61_11,d61_12,7).
 8871bond(d61,d61_12,d61_13,7).
 8872bond(d61,d61_13,d61_14,7).
 8873bond(d61,d61_14,d61_15,7).
 8874bond(d61,d61_15,d61_10,7).
 8875bond(d61,d61_11,d61_16,1).
 8876bond(d61,d61_13,d61_17,1).
 8877bond(d61,d61_14,d61_18,1).
 8878bond(d61,d61_4,d61_15,1).
 8879bond(d61,d61_3,d61_19,1).
 8880bond(d61,d61_19,d61_10,1).
 8881bond(d61,d61_19,d61_20,1).
 8882bond(d61,d61_19,d61_21,1).
 8883bond(d61,d61_12,d61_22,1).
 8884bond(d61,d61_1,d61_23,1).
 8885bond(d61,d61_24,d61_23,2).
 8886bond(d61,d61_23,d61_25,2).
 8887atm(d62,d62_1,c,22,-0.127).
 8888atm(d62,d62_2,c,22,-0.127).
 8889atm(d62,d62_3,c,22,-0.127).
 8890atm(d62,d62_4,c,22,0.203).
 8891atm(d62,d62_5,c,22,0.253).
 8892atm(d62,d62_6,c,22,-0.127).
 8893atm(d62,d62_7,h,3,0.133).
 8894atm(d62,d62_8,h,3,0.133).
 8895atm(d62,d62_9,h,3,0.133).
 8896atm(d62,d62_10,o,45,-0.647).
 8897atm(d62,d62_11,h,8,0.403).
 8898atm(d62,d62_12,n,32,-0.777).
 8899atm(d62,d62_13,n,38,0.802).
 8900atm(d62,d62_14,o,40,-0.397).
 8901atm(d62,d62_15,o,40,-0.397).
 8902atm(d62,d62_16,h,1,0.333).
 8903atm(d62,d62_17,h,1,0.333).
 8904
 8905bond(d62,d62_1,d62_2,7).
 8906bond(d62,d62_2,d62_3,7).
 8907bond(d62,d62_3,d62_4,7).
 8908bond(d62,d62_4,d62_5,7).
 8909bond(d62,d62_5,d62_6,7).
 8910bond(d62,d62_6,d62_1,7).
 8911bond(d62,d62_2,d62_7,1).
 8912bond(d62,d62_3,d62_8,1).
 8913bond(d62,d62_6,d62_9,1).
 8914bond(d62,d62_10,d62_5,1).
 8915bond(d62,d62_10,d62_11,1).
 8916bond(d62,d62_4,d62_12,1).
 8917bond(d62,d62_1,d62_13,1).
 8918bond(d62,d62_14,d62_13,2).
 8919bond(d62,d62_13,d62_15,2).
 8920bond(d62,d62_12,d62_16,1).
 8921bond(d62,d62_12,d62_17,1).
 8922atm(d63,d63_1,c,21,-0.004).
 8923atm(d63,d63_2,c,21,-0.134).
 8924atm(d63,d63_3,c,21,-0.134).
 8925atm(d63,d63_4,c,21,0.096).
 8926atm(d63,d63_5,o,52,-0.034).
 8927atm(d63,d63_6,n,38,0.797).
 8928atm(d63,d63_7,o,40,-0.403).
 8929atm(d63,d63_8,o,40,-0.403).
 8930atm(d63,d63_9,c,14,0.597).
 8931atm(d63,d63_10,n,32,-0.404).
 8932atm(d63,d63_11,n,32,-0.404).
 8933atm(d63,d63_12,c,14,0.597).
 8934atm(d63,d63_13,c,16,-0.204).
 8935atm(d63,d63_14,o,40,-0.553).
 8936atm(d63,d63_15,c,16,-0.204).
 8937atm(d63,d63_16,c,21,0.096).
 8938atm(d63,d63_17,c,21,-0.134).
 8939atm(d63,d63_18,c,21,-0.134).
 8940atm(d63,d63_19,c,21,-0.004).
 8941atm(d63,d63_20,c,21,-0.134).
 8942atm(d63,d63_21,n,38,0.797).
 8943atm(d63,d63_22,o,40,-0.404).
 8944atm(d63,d63_23,o,40,-0.403).
 8945atm(d63,d63_24,h,3,0.126).
 8946atm(d63,d63_25,h,3,0.126).
 8947atm(d63,d63_26,h,3,0.046).
 8948atm(d63,d63_27,h,1,0.246).
 8949atm(d63,d63_28,h,3,0.096).
 8950atm(d63,d63_29,h,3,0.126).
 8951atm(d63,d63_30,h,3,0.126).
 8952atm(d63,d63_31,h,3,0.126).
 8953atm(d63,d63_32,h,3,0.096).
 8954
 8955bond(d63,d63_1,d63_2,7).
 8956bond(d63,d63_2,d63_3,7).
 8957bond(d63,d63_3,d63_4,7).
 8958bond(d63,d63_4,d63_5,7).
 8959bond(d63,d63_5,d63_1,7).
 8960bond(d63,d63_1,d63_6,1).
 8961bond(d63,d63_6,d63_7,2).
 8962bond(d63,d63_6,d63_8,2).
 8963bond(d63,d63_4,d63_9,1).
 8964bond(d63,d63_9,d63_10,2).
 8965bond(d63,d63_10,d63_11,1).
 8966bond(d63,d63_11,d63_12,1).
 8967bond(d63,d63_12,d63_13,1).
 8968bond(d63,d63_12,d63_14,2).
 8969bond(d63,d63_13,d63_15,2).
 8970bond(d63,d63_16,d63_17,7).
 8971bond(d63,d63_17,d63_18,7).
 8972bond(d63,d63_18,d63_19,7).
 8973bond(d63,d63_19,d63_20,7).
 8974bond(d63,d63_20,d63_16,7).
 8975bond(d63,d63_19,d63_21,1).
 8976bond(d63,d63_21,d63_22,2).
 8977bond(d63,d63_21,d63_23,2).
 8978bond(d63,d63_2,d63_24,1).
 8979bond(d63,d63_3,d63_25,1).
 8980bond(d63,d63_9,d63_26,1).
 8981bond(d63,d63_11,d63_27,1).
 8982bond(d63,d63_13,d63_28,1).
 8983bond(d63,d63_17,d63_29,1).
 8984bond(d63,d63_18,d63_30,1).
 8985bond(d63,d63_20,d63_31,1).
 8986bond(d63,d63_15,d63_16,1).
 8987bond(d63,d63_15,d63_32,1).
 8988atm(d64,d64_1,c,22,-0.128).
 8989atm(d64,d64_2,c,22,-0.128).
 8990atm(d64,d64_3,c,22,0.102).
 8991atm(d64,d64_4,c,29,0.002).
 8992atm(d64,d64_5,c,22,-0.128).
 8993atm(d64,d64_6,c,22,-0.128).
 8994atm(d64,d64_7,h,3,0.132).
 8995atm(d64,d64_8,h,3,0.132).
 8996atm(d64,d64_9,h,3,0.132).
 8997atm(d64,d64_10,c,22,0.102).
 8998atm(d64,d64_11,c,22,-0.128).
 8999atm(d64,d64_12,c,22,-0.128).
 9000atm(d64,d64_13,c,22,-0.128).
 9001atm(d64,d64_14,c,22,-0.128).
 9002atm(d64,d64_15,c,29,0.002).
 9003atm(d64,d64_16,h,3,0.132).
 9004atm(d64,d64_17,h,3,0.132).
 9005atm(d64,d64_18,h,3,0.132).
 9006atm(d64,d64_19,c,14,0.553).
 9007atm(d64,d64_20,n,38,0.803).
 9008atm(d64,d64_21,n,38,0.803).
 9009atm(d64,d64_22,o,40,-0.397).
 9010atm(d64,d64_23,o,40,-0.397).
 9011atm(d64,d64_24,o,40,-0.397).
 9012atm(d64,d64_25,o,40,-0.397).
 9013atm(d64,d64_26,o,40,-0.547).
 9014
 9015bond(d64,d64_1,d64_2,7).
 9016bond(d64,d64_2,d64_3,7).
 9017bond(d64,d64_3,d64_4,7).
 9018bond(d64,d64_4,d64_5,7).
 9019bond(d64,d64_5,d64_6,7).
 9020bond(d64,d64_6,d64_1,7).
 9021bond(d64,d64_2,d64_7,1).
 9022bond(d64,d64_5,d64_8,1).
 9023bond(d64,d64_6,d64_9,1).
 9024bond(d64,d64_10,d64_11,7).
 9025bond(d64,d64_11,d64_12,7).
 9026bond(d64,d64_12,d64_13,7).
 9027bond(d64,d64_13,d64_14,7).
 9028bond(d64,d64_14,d64_15,7).
 9029bond(d64,d64_15,d64_10,7).
 9030bond(d64,d64_11,d64_16,1).
 9031bond(d64,d64_13,d64_17,1).
 9032bond(d64,d64_14,d64_18,1).
 9033bond(d64,d64_4,d64_15,1).
 9034bond(d64,d64_3,d64_19,1).
 9035bond(d64,d64_19,d64_10,1).
 9036bond(d64,d64_12,d64_20,1).
 9037bond(d64,d64_1,d64_21,1).
 9038bond(d64,d64_22,d64_21,2).
 9039bond(d64,d64_21,d64_23,2).
 9040bond(d64,d64_20,d64_24,2).
 9041bond(d64,d64_20,d64_25,2).
 9042bond(d64,d64_19,d64_26,2).
 9043atm(d65,d65_1,c,22,-0.118).
 9044atm(d65,d65_2,c,22,-0.118).
 9045atm(d65,d65_3,c,27,0.012).
 9046atm(d65,d65_4,c,27,0.012).
 9047atm(d65,d65_5,c,22,-0.118).
 9048atm(d65,d65_6,c,22,-0.118).
 9049atm(d65,d65_7,h,3,0.142).
 9050atm(d65,d65_8,h,3,0.142).
 9051atm(d65,d65_9,h,3,0.142).
 9052atm(d65,d65_10,h,3,0.142).
 9053atm(d65,d65_11,c,22,-0.118).
 9054atm(d65,d65_12,c,22,-0.118).
 9055atm(d65,d65_13,c,22,-0.118).
 9056atm(d65,d65_14,c,22,-0.118).
 9057atm(d65,d65_15,h,3,0.142).
 9058atm(d65,d65_16,h,3,0.142).
 9059atm(d65,d65_17,n,38,0.811).
 9060atm(d65,d65_18,n,38,0.811).
 9061atm(d65,d65_19,o,40,-0.388).
 9062atm(d65,d65_20,o,40,-0.389).
 9063atm(d65,d65_21,o,40,-0.389).
 9064atm(d65,d65_22,o,40,-0.388).
 9065
 9066bond(d65,d65_1,d65_2,7).
 9067bond(d65,d65_2,d65_3,7).
 9068bond(d65,d65_3,d65_4,7).
 9069bond(d65,d65_4,d65_5,7).
 9070bond(d65,d65_5,d65_6,7).
 9071bond(d65,d65_6,d65_1,7).
 9072bond(d65,d65_1,d65_7,1).
 9073bond(d65,d65_2,d65_8,1).
 9074bond(d65,d65_5,d65_9,1).
 9075bond(d65,d65_6,d65_10,1).
 9076bond(d65,d65_3,d65_11,7).
 9077bond(d65,d65_11,d65_12,7).
 9078bond(d65,d65_12,d65_13,7).
 9079bond(d65,d65_13,d65_14,7).
 9080bond(d65,d65_14,d65_4,7).
 9081bond(d65,d65_11,d65_15,1).
 9082bond(d65,d65_13,d65_16,1).
 9083bond(d65,d65_17,d65_14,1).
 9084bond(d65,d65_12,d65_18,1).
 9085bond(d65,d65_19,d65_17,2).
 9086bond(d65,d65_17,d65_20,2).
 9087bond(d65,d65_21,d65_18,2).
 9088bond(d65,d65_18,d65_22,2).
 9089atm(d66,d66_1,c,22,-0.128).
 9090atm(d66,d66_2,c,22,-0.128).
 9091atm(d66,d66_3,c,22,-0.128).
 9092atm(d66,d66_4,c,29,0.002).
 9093atm(d66,d66_5,c,22,-0.128).
 9094atm(d66,d66_6,c,22,-0.128).
 9095atm(d66,d66_7,h,3,0.132).
 9096atm(d66,d66_8,h,3,0.132).
 9097atm(d66,d66_9,h,3,0.132).
 9098atm(d66,d66_10,h,3,0.132).
 9099atm(d66,d66_11,c,29,0.002).
 9100atm(d66,d66_12,c,22,-0.128).
 9101atm(d66,d66_13,c,22,-0.128).
 9102atm(d66,d66_14,c,22,0.202).
 9103atm(d66,d66_15,c,22,-0.128).
 9104atm(d66,d66_16,c,22,-0.128).
 9105atm(d66,d66_17,h,3,0.132).
 9106atm(d66,d66_18,h,3,0.132).
 9107atm(d66,d66_19,h,3,0.132).
 9108atm(d66,d66_20,h,3,0.132).
 9109atm(d66,d66_21,n,32,-0.779).
 9110atm(d66,d66_22,n,38,0.801).
 9111atm(d66,d66_23,o,40,-0.398).
 9112atm(d66,d66_24,o,40,-0.398).
 9113atm(d66,d66_25,h,1,0.332).
 9114atm(d66,d66_26,h,1,0.332).
 9115
 9116bond(d66,d66_1,d66_2,7).
 9117bond(d66,d66_2,d66_3,7).
 9118bond(d66,d66_3,d66_4,7).
 9119bond(d66,d66_4,d66_5,7).
 9120bond(d66,d66_5,d66_6,7).
 9121bond(d66,d66_6,d66_1,7).
 9122bond(d66,d66_1,d66_7,1).
 9123bond(d66,d66_2,d66_8,1).
 9124bond(d66,d66_3,d66_9,1).
 9125bond(d66,d66_5,d66_10,1).
 9126bond(d66,d66_11,d66_12,7).
 9127bond(d66,d66_12,d66_13,7).
 9128bond(d66,d66_13,d66_14,7).
 9129bond(d66,d66_14,d66_15,7).
 9130bond(d66,d66_15,d66_16,7).
 9131bond(d66,d66_16,d66_11,7).
 9132bond(d66,d66_12,d66_17,1).
 9133bond(d66,d66_13,d66_18,1).
 9134bond(d66,d66_15,d66_19,1).
 9135bond(d66,d66_16,d66_20,1).
 9136bond(d66,d66_4,d66_11,1).
 9137bond(d66,d66_14,d66_21,1).
 9138bond(d66,d66_6,d66_22,1).
 9139bond(d66,d66_23,d66_22,2).
 9140bond(d66,d66_22,d66_24,2).
 9141bond(d66,d66_21,d66_25,1).
 9142bond(d66,d66_21,d66_26,1).
 9143atm(d67,d67_1,c,22,-0.122).
 9144atm(d67,d67_2,c,22,-0.122).
 9145atm(d67,d67_3,c,27,0.008).
 9146atm(d67,d67_4,c,27,-0.092).
 9147atm(d67,d67_5,c,28,0.008).
 9148atm(d67,d67_6,c,22,-0.122).
 9149atm(d67,d67_7,h,3,0.138).
 9150atm(d67,d67_8,h,3,0.138).
 9151atm(d67,d67_9,h,3,0.138).
 9152atm(d67,d67_10,c,22,-0.122).
 9153atm(d67,d67_11,c,22,0.258).
 9154atm(d67,d67_12,c,22,-0.122).
 9155atm(d67,d67_13,c,29,0.008).
 9156atm(d67,d67_14,h,3,0.138).
 9157atm(d67,d67_15,c,28,0.008).
 9158atm(d67,d67_16,c,28,0.008).
 9159atm(d67,d67_17,c,22,-0.122).
 9160atm(d67,d67_18,c,22,-0.122).
 9161atm(d67,d67_19,c,22,-0.122).
 9162atm(d67,d67_20,c,22,-0.122).
 9163atm(d67,d67_21,h,3,0.138).
 9164atm(d67,d67_22,h,3,0.138).
 9165atm(d67,d67_23,h,3,0.138).
 9166atm(d67,d67_24,n,38,0.807).
 9167atm(d67,d67_25,o,45,-0.643).
 9168atm(d67,d67_26,o,40,-0.392).
 9169atm(d67,d67_27,o,40,-0.392).
 9170atm(d67,d67_28,h,8,0.408).
 9171atm(d67,d67_29,h,3,0.138).
 9172
 9173bond(d67,d67_1,d67_2,7).
 9174bond(d67,d67_2,d67_3,7).
 9175bond(d67,d67_3,d67_4,7).
 9176bond(d67,d67_4,d67_5,7).
 9177bond(d67,d67_5,d67_6,7).
 9178bond(d67,d67_6,d67_1,7).
 9179bond(d67,d67_1,d67_7,1).
 9180bond(d67,d67_2,d67_8,1).
 9181bond(d67,d67_6,d67_9,1).
 9182bond(d67,d67_3,d67_10,7).
 9183bond(d67,d67_10,d67_11,7).
 9184bond(d67,d67_11,d67_12,7).
 9185bond(d67,d67_12,d67_13,7).
 9186bond(d67,d67_13,d67_4,7).
 9187bond(d67,d67_10,d67_14,1).
 9188bond(d67,d67_15,d67_16,7).
 9189bond(d67,d67_16,d67_17,7).
 9190bond(d67,d67_17,d67_18,7).
 9191bond(d67,d67_18,d67_19,7).
 9192bond(d67,d67_19,d67_20,7).
 9193bond(d67,d67_20,d67_15,7).
 9194bond(d67,d67_18,d67_21,1).
 9195bond(d67,d67_19,d67_22,1).
 9196bond(d67,d67_20,d67_23,1).
 9197bond(d67,d67_15,d67_5,1).
 9198bond(d67,d67_12,d67_24,1).
 9199bond(d67,d67_11,d67_25,1).
 9200bond(d67,d67_26,d67_24,2).
 9201bond(d67,d67_24,d67_27,2).
 9202bond(d67,d67_25,d67_28,1).
 9203bond(d67,d67_17,d67_29,1).
 9204bond(d67,d67_13,d67_16,1).
 9205atm(d68,d68_1,c,22,-0.114).
 9206atm(d68,d68_2,c,22,-0.114).
 9207atm(d68,d68_3,c,27,0.016).
 9208atm(d68,d68_4,c,27,-0.084).
 9209atm(d68,d68_5,c,22,-0.114).
 9210atm(d68,d68_6,c,22,-0.114).
 9211atm(d68,d68_7,h,3,0.145).
 9212atm(d68,d68_8,h,3,0.145).
 9213atm(d68,d68_9,h,3,0.145).
 9214atm(d68,d68_10,h,3,0.145).
 9215atm(d68,d68_11,c,22,-0.114).
 9216atm(d68,d68_12,c,27,0.016).
 9217atm(d68,d68_13,c,195,-0.084).
 9218atm(d68,d68_14,c,195,-0.084).
 9219atm(d68,d68_15,h,3,0.145).
 9220atm(d68,d68_16,c,22,-0.114).
 9221atm(d68,d68_17,c,22,-0.114).
 9222atm(d68,d68_18,c,27,0.016).
 9223atm(d68,d68_19,c,27,-0.084).
 9224atm(d68,d68_20,h,3,0.145).
 9225atm(d68,d68_21,h,3,0.145).
 9226atm(d68,d68_22,c,27,0.016).
 9227atm(d68,d68_23,c,22,-0.114).
 9228atm(d68,d68_24,c,22,-0.114).
 9229atm(d68,d68_25,h,3,0.145).
 9230atm(d68,d68_26,h,3,0.145).
 9231atm(d68,d68_27,c,22,-0.114).
 9232atm(d68,d68_28,c,22,-0.114).
 9233atm(d68,d68_29,c,22,-0.114).
 9234atm(d68,d68_30,h,3,0.145).
 9235atm(d68,d68_31,h,3,0.145).
 9236atm(d68,d68_32,n,38,0.815).
 9237atm(d68,d68_33,o,40,-0.385).
 9238atm(d68,d68_34,o,40,-0.385).
 9239
 9240bond(d68,d68_1,d68_2,7).
 9241bond(d68,d68_2,d68_3,7).
 9242bond(d68,d68_3,d68_4,7).
 9243bond(d68,d68_4,d68_5,7).
 9244bond(d68,d68_5,d68_6,7).
 9245bond(d68,d68_6,d68_1,7).
 9246bond(d68,d68_1,d68_7,1).
 9247bond(d68,d68_2,d68_8,1).
 9248bond(d68,d68_5,d68_9,1).
 9249bond(d68,d68_6,d68_10,1).
 9250bond(d68,d68_3,d68_11,7).
 9251bond(d68,d68_11,d68_12,7).
 9252bond(d68,d68_12,d68_13,7).
 9253bond(d68,d68_13,d68_14,7).
 9254bond(d68,d68_14,d68_4,7).
 9255bond(d68,d68_11,d68_15,1).
 9256bond(d68,d68_12,d68_16,7).
 9257bond(d68,d68_16,d68_17,7).
 9258bond(d68,d68_17,d68_18,7).
 9259bond(d68,d68_18,d68_19,7).
 9260bond(d68,d68_19,d68_13,7).
 9261bond(d68,d68_16,d68_20,1).
 9262bond(d68,d68_17,d68_21,1).
 9263bond(d68,d68_19,d68_22,7).
 9264bond(d68,d68_22,d68_23,7).
 9265bond(d68,d68_23,d68_24,7).
 9266bond(d68,d68_24,d68_14,7).
 9267bond(d68,d68_23,d68_25,1).
 9268bond(d68,d68_24,d68_26,1).
 9269bond(d68,d68_18,d68_27,7).
 9270bond(d68,d68_27,d68_28,7).
 9271bond(d68,d68_28,d68_29,7).
 9272bond(d68,d68_29,d68_22,7).
 9273bond(d68,d68_28,d68_30,1).
 9274bond(d68,d68_29,d68_31,1).
 9275bond(d68,d68_27,d68_32,1).
 9276bond(d68,d68_32,d68_33,2).
 9277bond(d68,d68_32,d68_34,2).
 9278atm(d69,d69_1,c,22,-0.114).
 9279atm(d69,d69_2,c,22,-0.114).
 9280atm(d69,d69_3,c,22,-0.114).
 9281atm(d69,d69_4,c,29,0.016).
 9282atm(d69,d69_5,c,22,-0.114).
 9283atm(d69,d69_6,c,22,-0.114).
 9284atm(d69,d69_7,h,3,0.145).
 9285atm(d69,d69_8,h,3,0.145).
 9286atm(d69,d69_9,h,3,0.145).
 9287atm(d69,d69_10,c,22,-0.114).
 9288atm(d69,d69_11,c,22,-0.114).
 9289atm(d69,d69_12,c,22,-0.114).
 9290atm(d69,d69_13,c,22,-0.114).
 9291atm(d69,d69_14,c,22,-0.114).
 9292atm(d69,d69_15,c,29,0.016).
 9293atm(d69,d69_16,h,3,0.145).
 9294atm(d69,d69_17,h,3,0.145).
 9295atm(d69,d69_18,h,3,0.145).
 9296atm(d69,d69_19,c,10,0.016).
 9297atm(d69,d69_20,h,3,0.066).
 9298atm(d69,d69_21,h,3,0.066).
 9299atm(d69,d69_22,n,38,0.815).
 9300atm(d69,d69_23,n,38,0.815).
 9301atm(d69,d69_24,o,40,-0.385).
 9302atm(d69,d69_25,o,40,-0.385).
 9303atm(d69,d69_26,o,40,-0.385).
 9304atm(d69,d69_27,o,40,-0.385).
 9305
 9306bond(d69,d69_1,d69_2,7).
 9307bond(d69,d69_2,d69_3,7).
 9308bond(d69,d69_3,d69_4,7).
 9309bond(d69,d69_4,d69_5,7).
 9310bond(d69,d69_5,d69_6,7).
 9311bond(d69,d69_6,d69_1,7).
 9312bond(d69,d69_1,d69_7,1).
 9313bond(d69,d69_2,d69_8,1).
 9314bond(d69,d69_6,d69_9,1).
 9315bond(d69,d69_10,d69_11,7).
 9316bond(d69,d69_11,d69_12,7).
 9317bond(d69,d69_12,d69_13,7).
 9318bond(d69,d69_13,d69_14,7).
 9319bond(d69,d69_14,d69_15,7).
 9320bond(d69,d69_15,d69_10,7).
 9321bond(d69,d69_11,d69_16,1).
 9322bond(d69,d69_13,d69_17,1).
 9323bond(d69,d69_14,d69_18,1).
 9324bond(d69,d69_4,d69_15,1).
 9325bond(d69,d69_3,d69_19,1).
 9326bond(d69,d69_19,d69_10,1).
 9327bond(d69,d69_19,d69_20,1).
 9328bond(d69,d69_19,d69_21,1).
 9329bond(d69,d69_12,d69_22,1).
 9330bond(d69,d69_5,d69_23,1).
 9331bond(d69,d69_24,d69_23,2).
 9332bond(d69,d69_23,d69_25,2).
 9333bond(d69,d69_26,d69_22,2).
 9334bond(d69,d69_22,d69_27,2).
 9335atm(d7,d7_1,c,22,-0.124).
 9336atm(d7,d7_2,c,22,-0.124).
 9337atm(d7,d7_3,c,22,-0.124).
 9338atm(d7,d7_4,c,29,0.006).
 9339atm(d7,d7_5,c,22,-0.124).
 9340atm(d7,d7_6,c,22,-0.124).
 9341atm(d7,d7_7,h,3,0.136).
 9342atm(d7,d7_8,h,3,0.136).
 9343atm(d7,d7_9,h,3,0.136).
 9344atm(d7,d7_10,h,3,0.136).
 9345atm(d7,d7_11,h,3,0.136).
 9346atm(d7,d7_12,c,29,0.006).
 9347atm(d7,d7_13,c,22,-0.124).
 9348atm(d7,d7_14,c,22,-0.124).
 9349atm(d7,d7_15,c,22,-0.124).
 9350atm(d7,d7_16,c,22,-0.174).
 9351atm(d7,d7_17,c,22,-0.124).
 9352atm(d7,d7_18,h,3,0.136).
 9353atm(d7,d7_19,h,3,0.136).
 9354atm(d7,d7_20,h,3,0.136).
 9355atm(d7,d7_21,c,10,0.006).
 9356atm(d7,d7_22,h,3,0.056).
 9357atm(d7,d7_23,h,3,0.056).
 9358atm(d7,d7_24,h,3,0.056).
 9359atm(d7,d7_25,n,38,0.805).
 9360atm(d7,d7_26,o,40,-0.395).
 9361atm(d7,d7_27,o,40,-0.394).
 9362
 9363bond(d7,d7_1,d7_2,7).
 9364bond(d7,d7_2,d7_3,7).
 9365bond(d7,d7_3,d7_4,7).
 9366bond(d7,d7_4,d7_5,7).
 9367bond(d7,d7_5,d7_6,7).
 9368bond(d7,d7_6,d7_1,7).
 9369bond(d7,d7_1,d7_7,1).
 9370bond(d7,d7_2,d7_8,1).
 9371bond(d7,d7_3,d7_9,1).
 9372bond(d7,d7_5,d7_10,1).
 9373bond(d7,d7_6,d7_11,1).
 9374bond(d7,d7_12,d7_13,7).
 9375bond(d7,d7_13,d7_14,7).
 9376bond(d7,d7_14,d7_15,7).
 9377bond(d7,d7_15,d7_16,7).
 9378bond(d7,d7_16,d7_17,7).
 9379bond(d7,d7_17,d7_12,7).
 9380bond(d7,d7_13,d7_18,1).
 9381bond(d7,d7_14,d7_19,1).
 9382bond(d7,d7_17,d7_20,1).
 9383bond(d7,d7_4,d7_12,1).
 9384bond(d7,d7_21,d7_16,1).
 9385bond(d7,d7_21,d7_22,1).
 9386bond(d7,d7_21,d7_23,1).
 9387bond(d7,d7_21,d7_24,1).
 9388bond(d7,d7_25,d7_15,1).
 9389bond(d7,d7_25,d7_26,2).
 9390bond(d7,d7_25,d7_27,2).
 9391atm(d70,d70_1,c,22,-0.128).
 9392atm(d70,d70_2,c,22,-0.128).
 9393atm(d70,d70_3,c,22,0.202).
 9394atm(d70,d70_4,c,22,0.002).
 9395atm(d70,d70_5,c,22,-0.128).
 9396atm(d70,d70_6,c,22,-0.128).
 9397atm(d70,d70_7,h,3,0.132).
 9398atm(d70,d70_8,h,3,0.132).
 9399atm(d70,d70_9,h,3,0.132).
 9400atm(d70,d70_10,n,32,-0.398).
 9401atm(d70,d70_11,c,14,0.601).
 9402atm(d70,d70_12,c,14,0.551).
 9403atm(d70,d70_13,o,40,-0.549).
 9404atm(d70,d70_14,o,40,-0.549).
 9405atm(d70,d70_15,h,1,0.252).
 9406atm(d70,d70_16,n,38,0.801).
 9407atm(d70,d70_17,o,40,-0.399).
 9408atm(d70,d70_18,o,40,-0.398).
 9409
 9410bond(d70,d70_1,d70_2,7).
 9411bond(d70,d70_2,d70_3,7).
 9412bond(d70,d70_3,d70_4,7).
 9413bond(d70,d70_4,d70_5,7).
 9414bond(d70,d70_5,d70_6,7).
 9415bond(d70,d70_6,d70_1,7).
 9416bond(d70,d70_1,d70_7,1).
 9417bond(d70,d70_2,d70_8,1).
 9418bond(d70,d70_5,d70_9,1).
 9419bond(d70,d70_3,d70_10,1).
 9420bond(d70,d70_10,d70_11,1).
 9421bond(d70,d70_11,d70_12,1).
 9422bond(d70,d70_12,d70_4,1).
 9423bond(d70,d70_11,d70_13,2).
 9424bond(d70,d70_12,d70_14,2).
 9425bond(d70,d70_10,d70_15,1).
 9426bond(d70,d70_6,d70_16,1).
 9427bond(d70,d70_17,d70_16,2).
 9428bond(d70,d70_16,d70_18,2).
 9429atm(d71,d71_1,c,22,-0.118).
 9430atm(d71,d71_2,c,22,-0.118).
 9431atm(d71,d71_3,c,27,0.012).
 9432atm(d71,d71_4,c,27,-0.089).
 9433atm(d71,d71_5,c,27,0.012).
 9434atm(d71,d71_6,c,22,-0.118).
 9435atm(d71,d71_7,c,22,-0.118).
 9436atm(d71,d71_8,c,22,-0.118).
 9437atm(d71,d71_9,c,27,0.012).
 9438atm(d71,d71_10,c,27,-0.089).
 9439atm(d71,d71_11,c,27,0.012).
 9440atm(d71,d71_12,c,22,0.012).
 9441atm(d71,d71_13,c,22,0.012).
 9442atm(d71,d71_14,c,22,-0.118).
 9443atm(d71,d71_15,c,22,-0.118).
 9444atm(d71,d71_16,c,22,-0.118).
 9445atm(d71,d71_17,c,10,-0.089).
 9446atm(d71,d71_18,c,10,-0.089).
 9447atm(d71,d71_19,c,10,-0.089).
 9448atm(d71,d71_20,c,10,-0.089).
 9449atm(d71,d71_21,n,38,0.811).
 9450atm(d71,d71_22,n,38,0.811).
 9451atm(d71,d71_23,o,40,-0.39).
 9452atm(d71,d71_24,o,40,-0.389).
 9453atm(d71,d71_25,o,40,-0.389).
 9454atm(d71,d71_26,o,40,-0.39).
 9455atm(d71,d71_27,h,3,0.141).
 9456atm(d71,d71_28,h,3,0.141).
 9457atm(d71,d71_29,h,3,0.141).
 9458atm(d71,d71_30,h,3,0.141).
 9459atm(d71,d71_31,h,3,0.141).
 9460atm(d71,d71_32,h,3,0.141).
 9461atm(d71,d71_33,h,3,0.062).
 9462atm(d71,d71_34,h,3,0.062).
 9463atm(d71,d71_35,h,3,0.062).
 9464atm(d71,d71_36,h,3,0.062).
 9465atm(d71,d71_37,h,3,0.062).
 9466atm(d71,d71_38,h,3,0.062).
 9467atm(d71,d71_39,h,3,0.062).
 9468atm(d71,d71_40,h,3,0.062).
 9469
 9470bond(d71,d71_1,d71_2,7).
 9471bond(d71,d71_2,d71_3,7).
 9472bond(d71,d71_3,d71_4,7).
 9473bond(d71,d71_4,d71_5,7).
 9474bond(d71,d71_5,d71_6,7).
 9475bond(d71,d71_6,d71_1,7).
 9476bond(d71,d71_3,d71_7,7).
 9477bond(d71,d71_7,d71_8,7).
 9478bond(d71,d71_8,d71_9,7).
 9479bond(d71,d71_9,d71_10,7).
 9480bond(d71,d71_10,d71_4,7).
 9481bond(d71,d71_10,d71_11,7).
 9482bond(d71,d71_11,d71_12,7).
 9483bond(d71,d71_12,d71_13,7).
 9484bond(d71,d71_13,d71_5,7).
 9485bond(d71,d71_9,d71_14,7).
 9486bond(d71,d71_14,d71_15,7).
 9487bond(d71,d71_15,d71_16,7).
 9488bond(d71,d71_16,d71_11,7).
 9489bond(d71,d71_12,d71_17,1).
 9490bond(d71,d71_17,d71_18,1).
 9491bond(d71,d71_18,d71_19,1).
 9492bond(d71,d71_19,d71_20,1).
 9493bond(d71,d71_20,d71_13,1).
 9494bond(d71,d71_21,d71_16,1).
 9495bond(d71,d71_6,d71_22,1).
 9496bond(d71,d71_23,d71_21,2).
 9497bond(d71,d71_21,d71_24,2).
 9498bond(d71,d71_22,d71_25,2).
 9499bond(d71,d71_26,d71_22,2).
 9500bond(d71,d71_1,d71_27,1).
 9501bond(d71,d71_2,d71_28,1).
 9502bond(d71,d71_7,d71_29,1).
 9503bond(d71,d71_8,d71_30,1).
 9504bond(d71,d71_14,d71_31,1).
 9505bond(d71,d71_15,d71_32,1).
 9506bond(d71,d71_18,d71_33,1).
 9507bond(d71,d71_18,d71_34,1).
 9508bond(d71,d71_17,d71_35,1).
 9509bond(d71,d71_17,d71_36,1).
 9510bond(d71,d71_20,d71_37,1).
 9511bond(d71,d71_20,d71_38,1).
 9512bond(d71,d71_19,d71_39,1).
 9513bond(d71,d71_19,d71_40,1).
 9514atm(d72,d72_1,c,22,-0.118).
 9515atm(d72,d72_2,c,22,-0.118).
 9516atm(d72,d72_3,c,22,-0.118).
 9517atm(d72,d72_4,c,29,0.012).
 9518atm(d72,d72_5,c,22,-0.118).
 9519atm(d72,d72_6,c,22,-0.118).
 9520atm(d72,d72_7,h,3,0.141).
 9521atm(d72,d72_8,h,3,0.141).
 9522atm(d72,d72_9,h,3,0.141).
 9523atm(d72,d72_10,h,3,0.141).
 9524atm(d72,d72_11,c,22,-0.118).
 9525atm(d72,d72_12,c,22,-0.118).
 9526atm(d72,d72_13,c,22,-0.118).
 9527atm(d72,d72_14,c,22,-0.118).
 9528atm(d72,d72_15,c,22,-0.118).
 9529atm(d72,d72_16,c,29,0.012).
 9530atm(d72,d72_17,h,3,0.141).
 9531atm(d72,d72_18,h,3,0.141).
 9532atm(d72,d72_19,h,3,0.141).
 9533atm(d72,d72_20,c,10,0.012).
 9534atm(d72,d72_21,h,3,0.062).
 9535atm(d72,d72_22,h,3,0.062).
 9536atm(d72,d72_23,n,38,0.811).
 9537atm(d72,d72_24,o,40,-0.389).
 9538atm(d72,d72_25,o,40,-0.389).
 9539
 9540bond(d72,d72_1,d72_2,7).
 9541bond(d72,d72_2,d72_3,7).
 9542bond(d72,d72_3,d72_4,7).
 9543bond(d72,d72_4,d72_5,7).
 9544bond(d72,d72_5,d72_6,7).
 9545bond(d72,d72_6,d72_1,7).
 9546bond(d72,d72_1,d72_7,1).
 9547bond(d72,d72_2,d72_8,1).
 9548bond(d72,d72_5,d72_9,1).
 9549bond(d72,d72_6,d72_10,1).
 9550bond(d72,d72_11,d72_12,7).
 9551bond(d72,d72_12,d72_13,7).
 9552bond(d72,d72_13,d72_14,7).
 9553bond(d72,d72_14,d72_15,7).
 9554bond(d72,d72_15,d72_16,7).
 9555bond(d72,d72_16,d72_11,7).
 9556bond(d72,d72_12,d72_17,1).
 9557bond(d72,d72_14,d72_18,1).
 9558bond(d72,d72_15,d72_19,1).
 9559bond(d72,d72_4,d72_16,1).
 9560bond(d72,d72_3,d72_20,1).
 9561bond(d72,d72_20,d72_11,1).
 9562bond(d72,d72_20,d72_21,1).
 9563bond(d72,d72_20,d72_22,1).
 9564bond(d72,d72_13,d72_23,1).
 9565bond(d72,d72_24,d72_23,2).
 9566bond(d72,d72_23,d72_25,2).
 9567atm(d73,d73_1,c,22,-0.128).
 9568atm(d73,d73_2,c,22,-0.128).
 9569atm(d73,d73_3,c,22,-0.128).
 9570atm(d73,d73_4,c,29,0.002).
 9571atm(d73,d73_5,c,22,-0.128).
 9572atm(d73,d73_6,c,22,-0.128).
 9573atm(d73,d73_7,h,3,0.132).
 9574atm(d73,d73_8,h,3,0.132).
 9575atm(d73,d73_9,h,3,0.132).
 9576atm(d73,d73_10,h,3,0.132).
 9577atm(d73,d73_11,c,29,0.002).
 9578atm(d73,d73_12,c,22,-0.128).
 9579atm(d73,d73_13,c,22,-0.128).
 9580atm(d73,d73_14,c,22,-0.128).
 9581atm(d73,d73_15,c,22,0.202).
 9582atm(d73,d73_16,c,22,-0.128).
 9583atm(d73,d73_17,h,3,0.132).
 9584atm(d73,d73_18,h,3,0.132).
 9585atm(d73,d73_19,h,3,0.132).
 9586atm(d73,d73_20,h,3,0.132).
 9587atm(d73,d73_21,n,32,-0.779).
 9588atm(d73,d73_22,n,38,0.801).
 9589atm(d73,d73_23,o,40,-0.398).
 9590atm(d73,d73_24,o,40,-0.398).
 9591atm(d73,d73_25,h,1,0.332).
 9592atm(d73,d73_26,h,1,0.332).
 9593
 9594bond(d73,d73_1,d73_2,7).
 9595bond(d73,d73_2,d73_3,7).
 9596bond(d73,d73_3,d73_4,7).
 9597bond(d73,d73_4,d73_5,7).
 9598bond(d73,d73_5,d73_6,7).
 9599bond(d73,d73_6,d73_1,7).
 9600bond(d73,d73_1,d73_7,1).
 9601bond(d73,d73_2,d73_8,1).
 9602bond(d73,d73_3,d73_9,1).
 9603bond(d73,d73_6,d73_10,1).
 9604bond(d73,d73_11,d73_12,7).
 9605bond(d73,d73_12,d73_13,7).
 9606bond(d73,d73_13,d73_14,7).
 9607bond(d73,d73_14,d73_15,7).
 9608bond(d73,d73_15,d73_16,7).
 9609bond(d73,d73_16,d73_11,7).
 9610bond(d73,d73_12,d73_17,1).
 9611bond(d73,d73_13,d73_18,1).
 9612bond(d73,d73_14,d73_19,1).
 9613bond(d73,d73_16,d73_20,1).
 9614bond(d73,d73_4,d73_11,1).
 9615bond(d73,d73_21,d73_15,1).
 9616bond(d73,d73_22,d73_5,1).
 9617bond(d73,d73_23,d73_22,2).
 9618bond(d73,d73_22,d73_24,2).
 9619bond(d73,d73_21,d73_25,1).
 9620bond(d73,d73_21,d73_26,1).
 9621atm(d74,d74_1,c,22,-0.123).
 9622atm(d74,d74_2,c,22,-0.123).
 9623atm(d74,d74_3,c,27,0.007).
 9624atm(d74,d74_4,c,27,-0.093).
 9625atm(d74,d74_5,c,28,0.007).
 9626atm(d74,d74_6,c,22,-0.123).
 9627atm(d74,d74_7,h,3,0.136).
 9628atm(d74,d74_8,h,3,0.137).
 9629atm(d74,d74_9,h,3,0.137).
 9630atm(d74,d74_10,c,22,-0.123).
 9631atm(d74,d74_11,c,22,-0.123).
 9632atm(d74,d74_12,c,22,-0.123).
 9633atm(d74,d74_13,c,29,0.007).
 9634atm(d74,d74_14,h,3,0.136).
 9635atm(d74,d74_15,h,3,0.136).
 9636atm(d74,d74_16,h,3,0.136).
 9637atm(d74,d74_17,c,28,0.007).
 9638atm(d74,d74_18,c,28,0.007).
 9639atm(d74,d74_19,c,22,-0.123).
 9640atm(d74,d74_20,c,27,0.007).
 9641atm(d74,d74_21,c,27,0.007).
 9642atm(d74,d74_22,c,22,-0.123).
 9643atm(d74,d74_23,h,3,0.136).
 9644atm(d74,d74_24,h,3,0.137).
 9645atm(d74,d74_25,c,22,-0.123).
 9646atm(d74,d74_26,c,22,-0.123).
 9647atm(d74,d74_27,c,22,-0.123).
 9648atm(d74,d74_28,c,22,-0.123).
 9649atm(d74,d74_29,h,3,0.137).
 9650atm(d74,d74_30,h,3,0.137).
 9651atm(d74,d74_31,h,3,0.137).
 9652atm(d74,d74_32,n,38,0.806).
 9653atm(d74,d74_33,o,40,-0.394).
 9654atm(d74,d74_34,o,40,-0.394).
 9655
 9656bond(d74,d74_1,d74_2,7).
 9657bond(d74,d74_2,d74_3,7).
 9658bond(d74,d74_3,d74_4,7).
 9659bond(d74,d74_4,d74_5,7).
 9660bond(d74,d74_5,d74_6,7).
 9661bond(d74,d74_6,d74_1,7).
 9662bond(d74,d74_1,d74_7,1).
 9663bond(d74,d74_2,d74_8,1).
 9664bond(d74,d74_6,d74_9,1).
 9665bond(d74,d74_3,d74_10,7).
 9666bond(d74,d74_10,d74_11,7).
 9667bond(d74,d74_11,d74_12,7).
 9668bond(d74,d74_12,d74_13,7).
 9669bond(d74,d74_13,d74_4,7).
 9670bond(d74,d74_10,d74_14,1).
 9671bond(d74,d74_11,d74_15,1).
 9672bond(d74,d74_12,d74_16,1).
 9673bond(d74,d74_17,d74_18,7).
 9674bond(d74,d74_18,d74_19,7).
 9675bond(d74,d74_19,d74_20,7).
 9676bond(d74,d74_20,d74_21,7).
 9677bond(d74,d74_21,d74_22,7).
 9678bond(d74,d74_22,d74_17,7).
 9679bond(d74,d74_19,d74_23,1).
 9680bond(d74,d74_22,d74_24,1).
 9681bond(d74,d74_20,d74_25,7).
 9682bond(d74,d74_25,d74_26,7).
 9683bond(d74,d74_26,d74_27,7).
 9684bond(d74,d74_27,d74_28,7).
 9685bond(d74,d74_28,d74_21,7).
 9686bond(d74,d74_25,d74_29,1).
 9687bond(d74,d74_27,d74_30,1).
 9688bond(d74,d74_28,d74_31,1).
 9689bond(d74,d74_17,d74_5,1).
 9690bond(d74,d74_18,d74_13,1).
 9691bond(d74,d74_26,d74_32,1).
 9692bond(d74,d74_33,d74_32,2).
 9693bond(d74,d74_32,d74_34,2).
 9694atm(d75,d75_1,c,22,-0.12).
 9695atm(d75,d75_2,c,22,-0.12).
 9696atm(d75,d75_3,c,22,-0.12).
 9697atm(d75,d75_4,c,29,0.01).
 9698atm(d75,d75_5,c,22,-0.12).
 9699atm(d75,d75_6,c,22,-0.12).
 9700atm(d75,d75_7,h,3,0.14).
 9701atm(d75,d75_8,h,3,0.14).
 9702atm(d75,d75_9,h,3,0.14).
 9703atm(d75,d75_10,h,3,0.14).
 9704atm(d75,d75_11,c,29,0.01).
 9705atm(d75,d75_12,c,22,-0.12).
 9706atm(d75,d75_13,c,22,-0.12).
 9707atm(d75,d75_14,c,22,-0.12).
 9708atm(d75,d75_15,c,22,-0.12).
 9709atm(d75,d75_16,c,22,-0.12).
 9710atm(d75,d75_17,h,3,0.14).
 9711atm(d75,d75_18,h,3,0.14).
 9712atm(d75,d75_19,h,3,0.14).
 9713atm(d75,d75_20,h,3,0.14).
 9714atm(d75,d75_21,n,38,0.81).
 9715atm(d75,d75_22,n,38,0.81).
 9716atm(d75,d75_23,o,40,-0.39).
 9717atm(d75,d75_24,o,40,-0.39).
 9718atm(d75,d75_25,o,40,-0.39).
 9719atm(d75,d75_26,o,40,-0.39).
 9720
 9721bond(d75,d75_1,d75_2,7).
 9722bond(d75,d75_2,d75_3,7).
 9723bond(d75,d75_3,d75_4,7).
 9724bond(d75,d75_4,d75_5,7).
 9725bond(d75,d75_5,d75_6,7).
 9726bond(d75,d75_6,d75_1,7).
 9727bond(d75,d75_2,d75_7,1).
 9728bond(d75,d75_3,d75_8,1).
 9729bond(d75,d75_5,d75_9,1).
 9730bond(d75,d75_6,d75_10,1).
 9731bond(d75,d75_11,d75_12,7).
 9732bond(d75,d75_12,d75_13,7).
 9733bond(d75,d75_13,d75_14,7).
 9734bond(d75,d75_14,d75_15,7).
 9735bond(d75,d75_15,d75_16,7).
 9736bond(d75,d75_16,d75_11,7).
 9737bond(d75,d75_12,d75_17,1).
 9738bond(d75,d75_13,d75_18,1).
 9739bond(d75,d75_15,d75_19,1).
 9740bond(d75,d75_16,d75_20,1).
 9741bond(d75,d75_4,d75_11,1).
 9742bond(d75,d75_21,d75_14,1).
 9743bond(d75,d75_1,d75_22,1).
 9744bond(d75,d75_23,d75_21,2).
 9745bond(d75,d75_21,d75_24,2).
 9746bond(d75,d75_22,d75_25,2).
 9747bond(d75,d75_22,d75_26,2).
 9748atm(d76,d76_1,c,22,-0.097).
 9749atm(d76,d76_2,c,22,-0.097).
 9750atm(d76,d76_3,c,22,-0.097).
 9751atm(d76,d76_4,c,22,-0.097).
 9752atm(d76,d76_5,c,22,-0.097).
 9753atm(d76,d76_6,c,22,-0.097).
 9754atm(d76,d76_7,h,3,0.163).
 9755atm(d76,d76_8,h,3,0.163).
 9756atm(d76,d76_9,h,3,0.163).
 9757atm(d76,d76_10,h,3,0.163).
 9758atm(d76,d76_11,n,38,0.832).
 9759atm(d76,d76_12,cl,93,-0.167).
 9760atm(d76,d76_13,o,40,-0.368).
 9761atm(d76,d76_14,o,40,-0.367).
 9762
 9763bond(d76,d76_1,d76_2,7).
 9764bond(d76,d76_2,d76_3,7).
 9765bond(d76,d76_3,d76_4,7).
 9766bond(d76,d76_4,d76_5,7).
 9767bond(d76,d76_5,d76_6,7).
 9768bond(d76,d76_6,d76_1,7).
 9769bond(d76,d76_1,d76_7,1).
 9770bond(d76,d76_2,d76_8,1).
 9771bond(d76,d76_3,d76_9,1).
 9772bond(d76,d76_6,d76_10,1).
 9773bond(d76,d76_11,d76_5,1).
 9774bond(d76,d76_4,d76_12,1).
 9775bond(d76,d76_13,d76_11,2).
 9776bond(d76,d76_11,d76_14,2).
 9777atm(d77,d77_1,c,22,-0.128).
 9778atm(d77,d77_2,c,22,-0.128).
 9779atm(d77,d77_3,c,22,-0.128).
 9780atm(d77,d77_4,c,29,0.002).
 9781atm(d77,d77_5,c,22,-0.128).
 9782atm(d77,d77_6,c,22,-0.128).
 9783atm(d77,d77_7,h,3,0.132).
 9784atm(d77,d77_8,h,3,0.132).
 9785atm(d77,d77_9,h,3,0.132).
 9786atm(d77,d77_10,h,3,0.132).
 9787atm(d77,d77_11,c,29,0.002).
 9788atm(d77,d77_12,c,22,-0.128).
 9789atm(d77,d77_13,c,22,-0.128).
 9790atm(d77,d77_14,c,22,-0.128).
 9791atm(d77,d77_15,c,22,-0.128).
 9792atm(d77,d77_16,c,22,0.202).
 9793atm(d77,d77_17,h,3,0.132).
 9794atm(d77,d77_18,h,3,0.132).
 9795atm(d77,d77_19,h,3,0.132).
 9796atm(d77,d77_20,h,3,0.132).
 9797atm(d77,d77_21,n,32,-0.779).
 9798atm(d77,d77_22,n,38,0.801).
 9799atm(d77,d77_23,o,40,-0.398).
 9800atm(d77,d77_24,o,40,-0.398).
 9801atm(d77,d77_25,h,1,0.332).
 9802atm(d77,d77_26,h,1,0.332).
 9803
 9804bond(d77,d77_1,d77_2,7).
 9805bond(d77,d77_2,d77_3,7).
 9806bond(d77,d77_3,d77_4,7).
 9807bond(d77,d77_4,d77_5,7).
 9808bond(d77,d77_5,d77_6,7).
 9809bond(d77,d77_6,d77_1,7).
 9810bond(d77,d77_1,d77_7,1).
 9811bond(d77,d77_2,d77_8,1).
 9812bond(d77,d77_3,d77_9,1).
 9813bond(d77,d77_5,d77_10,1).
 9814bond(d77,d77_11,d77_12,7).
 9815bond(d77,d77_12,d77_13,7).
 9816bond(d77,d77_13,d77_14,7).
 9817bond(d77,d77_14,d77_15,7).
 9818bond(d77,d77_15,d77_16,7).
 9819bond(d77,d77_16,d77_11,7).
 9820bond(d77,d77_12,d77_17,1).
 9821bond(d77,d77_13,d77_18,1).
 9822bond(d77,d77_14,d77_19,1).
 9823bond(d77,d77_15,d77_20,1).
 9824bond(d77,d77_4,d77_11,1).
 9825bond(d77,d77_16,d77_21,1).
 9826bond(d77,d77_6,d77_22,1).
 9827bond(d77,d77_23,d77_22,2).
 9828bond(d77,d77_22,d77_24,2).
 9829bond(d77,d77_21,d77_25,1).
 9830bond(d77,d77_21,d77_26,1).
 9831atm(d78,d78_1,c,22,-0.124).
 9832atm(d78,d78_2,c,22,-0.124).
 9833atm(d78,d78_3,c,22,-0.124).
 9834atm(d78,d78_4,c,29,0.006).
 9835atm(d78,d78_5,c,22,-0.174).
 9836atm(d78,d78_6,c,22,-0.124).
 9837atm(d78,d78_7,h,3,0.136).
 9838atm(d78,d78_8,h,3,0.136).
 9839atm(d78,d78_9,h,3,0.136).
 9840atm(d78,d78_10,h,3,0.136).
 9841atm(d78,d78_11,c,29,0.006).
 9842atm(d78,d78_12,c,22,-0.124).
 9843atm(d78,d78_13,c,22,-0.124).
 9844atm(d78,d78_14,c,22,-0.124).
 9845atm(d78,d78_15,c,22,-0.124).
 9846atm(d78,d78_16,c,22,-0.124).
 9847atm(d78,d78_17,h,3,0.136).
 9848atm(d78,d78_18,h,3,0.136).
 9849atm(d78,d78_19,h,3,0.136).
 9850atm(d78,d78_20,h,3,0.136).
 9851atm(d78,d78_21,c,10,0.006).
 9852atm(d78,d78_22,h,3,0.056).
 9853atm(d78,d78_23,h,3,0.056).
 9854atm(d78,d78_24,h,3,0.056).
 9855atm(d78,d78_25,n,38,0.805).
 9856atm(d78,d78_26,o,40,-0.394).
 9857atm(d78,d78_27,o,40,-0.395).
 9858
 9859bond(d78,d78_1,d78_2,7).
 9860bond(d78,d78_2,d78_3,7).
 9861bond(d78,d78_3,d78_4,7).
 9862bond(d78,d78_4,d78_5,7).
 9863bond(d78,d78_5,d78_6,7).
 9864bond(d78,d78_6,d78_1,7).
 9865bond(d78,d78_1,d78_7,1).
 9866bond(d78,d78_2,d78_8,1).
 9867bond(d78,d78_3,d78_9,1).
 9868bond(d78,d78_6,d78_10,1).
 9869bond(d78,d78_11,d78_12,7).
 9870bond(d78,d78_12,d78_13,7).
 9871bond(d78,d78_13,d78_14,7).
 9872bond(d78,d78_14,d78_15,7).
 9873bond(d78,d78_15,d78_16,7).
 9874bond(d78,d78_16,d78_11,7).
 9875bond(d78,d78_12,d78_17,1).
 9876bond(d78,d78_13,d78_18,1).
 9877bond(d78,d78_15,d78_19,1).
 9878bond(d78,d78_16,d78_20,1).
 9879bond(d78,d78_4,d78_11,1).
 9880bond(d78,d78_21,d78_5,1).
 9881bond(d78,d78_21,d78_22,1).
 9882bond(d78,d78_21,d78_23,1).
 9883bond(d78,d78_21,d78_24,1).
 9884bond(d78,d78_14,d78_25,1).
 9885bond(d78,d78_26,d78_25,2).
 9886bond(d78,d78_25,d78_27,2).
 9887atm(d79,d79_1,c,22,-0.135).
 9888atm(d79,d79_2,c,22,-0.136).
 9889atm(d79,d79_3,c,22,0.174).
 9890atm(d79,d79_4,c,22,0.174).
 9891atm(d79,d79_5,c,22,-0.135).
 9892atm(d79,d79_6,c,22,-0.135).
 9893atm(d79,d79_7,h,3,0.125).
 9894atm(d79,d79_8,h,3,0.125).
 9895atm(d79,d79_9,h,3,0.125).
 9896atm(d79,d79_10,h,3,0.125).
 9897atm(d79,d79_11,c,22,0.174).
 9898atm(d79,d79_12,c,22,-0.135).
 9899atm(d79,d79_13,c,22,-0.135).
 9900atm(d79,d79_14,c,22,-0.135).
 9901atm(d79,d79_15,c,22,-0.135).
 9902atm(d79,d79_16,c,22,0.174).
 9903atm(d79,d79_17,h,3,0.125).
 9904atm(d79,d79_18,h,3,0.125).
 9905atm(d79,d79_19,h,3,0.125).
 9906atm(d79,d79_20,o,50,-0.236).
 9907atm(d79,d79_21,o,50,-0.236).
 9908atm(d79,d79_22,n,38,0.794).
 9909atm(d79,d79_23,o,40,-0.406).
 9910atm(d79,d79_24,o,40,-0.406).
 9911
 9912bond(d79,d79_1,d79_2,7).
 9913bond(d79,d79_2,d79_3,7).
 9914bond(d79,d79_3,d79_4,7).
 9915bond(d79,d79_4,d79_5,7).
 9916bond(d79,d79_5,d79_6,7).
 9917bond(d79,d79_6,d79_1,7).
 9918bond(d79,d79_1,d79_7,1).
 9919bond(d79,d79_2,d79_8,1).
 9920bond(d79,d79_5,d79_9,1).
 9921bond(d79,d79_6,d79_10,1).
 9922bond(d79,d79_11,d79_12,7).
 9923bond(d79,d79_12,d79_13,7).
 9924bond(d79,d79_13,d79_14,7).
 9925bond(d79,d79_14,d79_15,7).
 9926bond(d79,d79_15,d79_16,7).
 9927bond(d79,d79_16,d79_11,7).
 9928bond(d79,d79_12,d79_17,1).
 9929bond(d79,d79_13,d79_18,1).
 9930bond(d79,d79_15,d79_19,1).
 9931bond(d79,d79_3,d79_20,1).
 9932bond(d79,d79_20,d79_11,1).
 9933bond(d79,d79_16,d79_21,1).
 9934bond(d79,d79_21,d79_4,1).
 9935bond(d79,d79_22,d79_14,1).
 9936bond(d79,d79_23,d79_22,2).
 9937bond(d79,d79_22,d79_24,2).
 9938atm(d8,d8_1,c,22,-0.125).
 9939atm(d8,d8_2,c,22,-0.125).
 9940atm(d8,d8_3,c,22,-0.125).
 9941atm(d8,d8_4,c,29,0.005).
 9942atm(d8,d8_5,c,22,-0.125).
 9943atm(d8,d8_6,c,22,-0.126).
 9944atm(d8,d8_7,c,22,-0.125).
 9945atm(d8,d8_8,c,22,-0.126).
 9946atm(d8,d8_9,c,22,0.254).
 9947atm(d8,d8_10,c,22,-0.125).
 9948atm(d8,d8_11,c,22,-0.125).
 9949atm(d8,d8_12,c,29,0.005).
 9950atm(d8,d8_13,c,10,0.005).
 9951atm(d8,d8_14,n,38,0.804).
 9952atm(d8,d8_15,o,40,-0.396).
 9953atm(d8,d8_16,o,40,-0.396).
 9954atm(d8,d8_17,h,3,0.134).
 9955atm(d8,d8_18,h,3,0.134).
 9956atm(d8,d8_19,h,3,0.134).
 9957atm(d8,d8_20,h,3,0.134).
 9958atm(d8,d8_21,h,3,0.134).
 9959atm(d8,d8_22,h,3,0.134).
 9960atm(d8,d8_23,h,3,0.055).
 9961atm(d8,d8_24,h,3,0.055).
 9962atm(d8,d8_25,o,49,-0.396).
 9963atm(d8,d8_26,c,14,0.704).
 9964atm(d8,d8_27,c,10,0.005).
 9965atm(d8,d8_28,h,3,0.055).
 9966atm(d8,d8_29,h,3,0.055).
 9967atm(d8,d8_30,h,3,0.055).
 9968atm(d8,d8_31,o,51,-0.546).
 9969
 9970bond(d8,d8_1,d8_2,7).
 9971bond(d8,d8_2,d8_3,7).
 9972bond(d8,d8_3,d8_4,7).
 9973bond(d8,d8_4,d8_5,7).
 9974bond(d8,d8_5,d8_6,7).
 9975bond(d8,d8_6,d8_1,7).
 9976bond(d8,d8_7,d8_8,7).
 9977bond(d8,d8_8,d8_9,7).
 9978bond(d8,d8_9,d8_10,7).
 9979bond(d8,d8_10,d8_11,7).
 9980bond(d8,d8_11,d8_12,7).
 9981bond(d8,d8_12,d8_7,7).
 9982bond(d8,d8_4,d8_12,1).
 9983bond(d8,d8_3,d8_13,1).
 9984bond(d8,d8_13,d8_7,1).
 9985bond(d8,d8_1,d8_14,1).
 9986bond(d8,d8_14,d8_15,2).
 9987bond(d8,d8_14,d8_16,2).
 9988bond(d8,d8_2,d8_17,1).
 9989bond(d8,d8_5,d8_18,1).
 9990bond(d8,d8_6,d8_19,1).
 9991bond(d8,d8_8,d8_20,1).
 9992bond(d8,d8_10,d8_21,1).
 9993bond(d8,d8_11,d8_22,1).
 9994bond(d8,d8_13,d8_23,1).
 9995bond(d8,d8_13,d8_24,1).
 9996bond(d8,d8_9,d8_25,1).
 9997bond(d8,d8_25,d8_26,1).
 9998bond(d8,d8_26,d8_27,1).
 9999bond(d8,d8_27,d8_28,1).
10000bond(d8,d8_27,d8_29,1).
10001bond(d8,d8_27,d8_30,1).
10002bond(d8,d8_26,d8_31,2).
10003atm(d80,d80_1,c,22,-0.122).
10004atm(d80,d80_2,c,22,-0.122).
10005atm(d80,d80_3,c,27,0.008).
10006atm(d80,d80_4,c,27,-0.092).
10007atm(d80,d80_5,c,28,0.008).
10008atm(d80,d80_6,c,22,-0.122).
10009atm(d80,d80_7,h,3,0.139).
10010atm(d80,d80_8,h,3,0.138).
10011atm(d80,d80_9,h,3,0.138).
10012atm(d80,d80_10,c,22,-0.122).
10013atm(d80,d80_11,c,22,-0.122).
10014atm(d80,d80_12,c,22,-0.122).
10015atm(d80,d80_13,c,29,0.008).
10016atm(d80,d80_14,h,3,0.139).
10017atm(d80,d80_15,h,3,0.138).
10018atm(d80,d80_16,h,3,0.138).
10019atm(d80,d80_17,c,28,0.008).
10020atm(d80,d80_18,c,28,0.008).
10021atm(d80,d80_19,c,22,-0.122).
10022atm(d80,d80_20,c,22,-0.122).
10023atm(d80,d80_21,c,22,-0.122).
10024atm(d80,d80_22,c,22,-0.122).
10025atm(d80,d80_23,h,3,0.139).
10026atm(d80,d80_24,h,3,0.138).
10027atm(d80,d80_25,h,3,0.138).
10028atm(d80,d80_26,n,38,0.809).
10029atm(d80,d80_27,o,40,-0.391).
10030atm(d80,d80_28,o,40,-0.391).
10031
10032bond(d80,d80_1,d80_2,7).
10033bond(d80,d80_2,d80_3,7).
10034bond(d80,d80_3,d80_4,7).
10035bond(d80,d80_4,d80_5,7).
10036bond(d80,d80_5,d80_6,7).
10037bond(d80,d80_6,d80_1,7).
10038bond(d80,d80_1,d80_7,1).
10039bond(d80,d80_2,d80_8,1).
10040bond(d80,d80_6,d80_9,1).
10041bond(d80,d80_3,d80_10,7).
10042bond(d80,d80_10,d80_11,7).
10043bond(d80,d80_11,d80_12,7).
10044bond(d80,d80_12,d80_13,7).
10045bond(d80,d80_13,d80_4,7).
10046bond(d80,d80_10,d80_14,1).
10047bond(d80,d80_11,d80_15,1).
10048bond(d80,d80_12,d80_16,1).
10049bond(d80,d80_17,d80_18,7).
10050bond(d80,d80_18,d80_19,7).
10051bond(d80,d80_19,d80_20,7).
10052bond(d80,d80_20,d80_21,7).
10053bond(d80,d80_21,d80_22,7).
10054bond(d80,d80_22,d80_17,7).
10055bond(d80,d80_19,d80_23,1).
10056bond(d80,d80_20,d80_24,1).
10057bond(d80,d80_21,d80_25,1).
10058bond(d80,d80_17,d80_5,1).
10059bond(d80,d80_18,d80_13,1).
10060bond(d80,d80_22,d80_26,1).
10061bond(d80,d80_27,d80_26,2).
10062bond(d80,d80_26,d80_28,2).
10063atm(d81,d81_1,c,22,-0.114).
10064atm(d81,d81_2,c,22,-0.114).
10065atm(d81,d81_3,c,22,-0.114).
10066atm(d81,d81_4,c,22,-0.114).
10067atm(d81,d81_5,c,22,-0.114).
10068atm(d81,d81_6,c,22,-0.114).
10069atm(d81,d81_7,h,3,0.146).
10070atm(d81,d81_8,h,3,0.146).
10071atm(d81,d81_9,h,3,0.146).
10072atm(d81,d81_10,h,3,0.146).
10073atm(d81,d81_11,n,38,0.817).
10074atm(d81,d81_12,n,38,0.817).
10075atm(d81,d81_13,o,40,-0.383).
10076atm(d81,d81_14,o,40,-0.384).
10077atm(d81,d81_15,o,40,-0.384).
10078atm(d81,d81_16,o,40,-0.383).
10079
10080bond(d81,d81_1,d81_2,7).
10081bond(d81,d81_2,d81_3,7).
10082bond(d81,d81_3,d81_4,7).
10083bond(d81,d81_4,d81_5,7).
10084bond(d81,d81_5,d81_6,7).
10085bond(d81,d81_6,d81_1,7).
10086bond(d81,d81_1,d81_7,1).
10087bond(d81,d81_2,d81_8,1).
10088bond(d81,d81_4,d81_9,1).
10089bond(d81,d81_6,d81_10,1).
10090bond(d81,d81_11,d81_5,1).
10091bond(d81,d81_3,d81_12,1).
10092bond(d81,d81_13,d81_11,2).
10093bond(d81,d81_11,d81_14,2).
10094bond(d81,d81_15,d81_12,2).
10095bond(d81,d81_12,d81_16,2).
10096atm(d82,d82_1,c,22,-0.115).
10097atm(d82,d82_2,c,22,-0.115).
10098atm(d82,d82_3,c,27,0.015).
10099atm(d82,d82_4,c,27,-0.085).
10100atm(d82,d82_5,c,28,0.015).
10101atm(d82,d82_6,c,22,-0.115).
10102atm(d82,d82_7,h,3,0.145).
10103atm(d82,d82_8,h,3,0.145).
10104atm(d82,d82_9,c,22,-0.115).
10105atm(d82,d82_10,c,22,-0.115).
10106atm(d82,d82_11,c,22,-0.115).
10107atm(d82,d82_12,c,29,0.015).
10108atm(d82,d82_13,h,3,0.145).
10109atm(d82,d82_14,c,28,0.015).
10110atm(d82,d82_15,c,28,0.015).
10111atm(d82,d82_16,c,22,-0.115).
10112atm(d82,d82_17,c,22,-0.115).
10113atm(d82,d82_18,c,22,-0.115).
10114atm(d82,d82_19,c,22,-0.115).
10115atm(d82,d82_20,h,3,0.146).
10116atm(d82,d82_21,h,3,0.145).
10117atm(d82,d82_22,h,3,0.145).
10118atm(d82,d82_23,h,3,0.145).
10119atm(d82,d82_24,n,38,0.816).
10120atm(d82,d82_25,n,38,0.816).
10121atm(d82,d82_26,n,38,0.816).
10122atm(d82,d82_27,o,40,-0.384).
10123atm(d82,d82_28,o,40,-0.384).
10124atm(d82,d82_29,o,40,-0.384).
10125atm(d82,d82_30,o,40,-0.384).
10126atm(d82,d82_31,o,40,-0.384).
10127atm(d82,d82_32,o,40,-0.384).
10128
10129bond(d82,d82_1,d82_2,7).
10130bond(d82,d82_2,d82_3,7).
10131bond(d82,d82_3,d82_4,7).
10132bond(d82,d82_4,d82_5,7).
10133bond(d82,d82_5,d82_6,7).
10134bond(d82,d82_6,d82_1,7).
10135bond(d82,d82_1,d82_7,1).
10136bond(d82,d82_6,d82_8,1).
10137bond(d82,d82_3,d82_9,7).
10138bond(d82,d82_9,d82_10,7).
10139bond(d82,d82_10,d82_11,7).
10140bond(d82,d82_11,d82_12,7).
10141bond(d82,d82_12,d82_4,7).
10142bond(d82,d82_9,d82_13,1).
10143bond(d82,d82_14,d82_15,7).
10144bond(d82,d82_15,d82_16,7).
10145bond(d82,d82_16,d82_17,7).
10146bond(d82,d82_17,d82_18,7).
10147bond(d82,d82_18,d82_19,7).
10148bond(d82,d82_19,d82_14,7).
10149bond(d82,d82_16,d82_20,1).
10150bond(d82,d82_17,d82_21,1).
10151bond(d82,d82_18,d82_22,1).
10152bond(d82,d82_19,d82_23,1).
10153bond(d82,d82_14,d82_5,1).
10154bond(d82,d82_15,d82_12,1).
10155bond(d82,d82_11,d82_24,1).
10156bond(d82,d82_10,d82_25,1).
10157bond(d82,d82_2,d82_26,1).
10158bond(d82,d82_24,d82_27,2).
10159bond(d82,d82_24,d82_28,2).
10160bond(d82,d82_29,d82_25,2).
10161bond(d82,d82_25,d82_30,2).
10162bond(d82,d82_26,d82_31,2).
10163bond(d82,d82_26,d82_32,2).
10164atm(d83,d83_1,c,22,-0.148).
10165atm(d83,d83_2,c,22,-0.148).
10166atm(d83,d83_3,c,26,0.282).
10167atm(d83,d83_4,c,26,0.082).
10168atm(d83,d83_5,c,22,-0.148).
10169atm(d83,d83_6,c,22,-0.148).
10170atm(d83,d83_7,c,26,0.282).
10171atm(d83,d83_8,c,22,-0.148).
10172atm(d83,d83_9,c,22,-0.148).
10173atm(d83,d83_10,c,22,-0.148).
10174atm(d83,d83_11,c,22,-0.148).
10175atm(d83,d83_12,c,26,0.082).
10176atm(d83,d83_13,n,34,-0.557).
10177atm(d83,d83_14,n,38,0.783).
10178atm(d83,d83_15,o,40,-0.418).
10179atm(d83,d83_16,o,40,-0.418).
10180atm(d83,d83_17,h,3,0.112).
10181atm(d83,d83_18,h,3,0.112).
10182atm(d83,d83_19,h,3,0.112).
10183atm(d83,d83_20,h,3,0.112).
10184atm(d83,d83_21,h,3,0.112).
10185atm(d83,d83_22,h,3,0.112).
10186atm(d83,d83_23,h,3,0.112).
10187atm(d83,d83_24,h,1,0.282).
10188
10189bond(d83,d83_1,d83_2,7).
10190bond(d83,d83_2,d83_3,7).
10191bond(d83,d83_3,d83_4,7).
10192bond(d83,d83_4,d83_5,7).
10193bond(d83,d83_5,d83_6,7).
10194bond(d83,d83_6,d83_1,7).
10195bond(d83,d83_7,d83_8,7).
10196bond(d83,d83_8,d83_9,7).
10197bond(d83,d83_9,d83_10,7).
10198bond(d83,d83_10,d83_11,7).
10199bond(d83,d83_11,d83_12,7).
10200bond(d83,d83_12,d83_7,7).
10201bond(d83,d83_4,d83_12,7).
10202bond(d83,d83_3,d83_13,7).
10203bond(d83,d83_13,d83_7,7).
10204bond(d83,d83_9,d83_14,1).
10205bond(d83,d83_15,d83_14,2).
10206bond(d83,d83_14,d83_16,2).
10207bond(d83,d83_1,d83_17,1).
10208bond(d83,d83_2,d83_18,1).
10209bond(d83,d83_5,d83_19,1).
10210bond(d83,d83_6,d83_20,1).
10211bond(d83,d83_8,d83_21,1).
10212bond(d83,d83_10,d83_22,1).
10213bond(d83,d83_11,d83_23,1).
10214bond(d83,d83_13,d83_24,1).
10215atm(d84,d84_1,c,22,-0.123).
10216atm(d84,d84_2,c,22,-0.123).
10217atm(d84,d84_3,c,22,-0.123).
10218atm(d84,d84_4,c,22,-0.123).
10219atm(d84,d84_5,c,22,0.107).
10220atm(d84,d84_6,c,22,-0.123).
10221atm(d84,d84_7,h,3,0.137).
10222atm(d84,d84_8,h,3,0.137).
10223atm(d84,d84_9,h,3,0.137).
10224atm(d84,d84_10,h,3,0.137).
10225atm(d84,d84_11,c,16,-0.193).
10226atm(d84,d84_12,c,16,-0.192).
10227atm(d84,d84_13,h,3,0.107).
10228atm(d84,d84_14,h,3,0.107).
10229atm(d84,d84_15,h,3,0.107).
10230atm(d84,d84_16,n,38,0.808).
10231atm(d84,d84_17,o,40,-0.392).
10232atm(d84,d84_18,o,40,-0.392).
10233
10234bond(d84,d84_1,d84_2,7).
10235bond(d84,d84_2,d84_3,7).
10236bond(d84,d84_3,d84_4,7).
10237bond(d84,d84_4,d84_5,7).
10238bond(d84,d84_5,d84_6,7).
10239bond(d84,d84_6,d84_1,7).
10240bond(d84,d84_1,d84_7,1).
10241bond(d84,d84_3,d84_8,1).
10242bond(d84,d84_4,d84_9,1).
10243bond(d84,d84_6,d84_10,1).
10244bond(d84,d84_11,d84_5,1).
10245bond(d84,d84_11,d84_12,2).
10246bond(d84,d84_11,d84_13,1).
10247bond(d84,d84_12,d84_14,1).
10248bond(d84,d84_12,d84_15,1).
10249bond(d84,d84_2,d84_16,1).
10250bond(d84,d84_16,d84_17,2).
10251bond(d84,d84_16,d84_18,2).
10252atm(d85,d85_1,c,22,-0.112).
10253atm(d85,d85_2,c,22,-0.112).
10254atm(d85,d85_3,c,22,-0.112).
10255atm(d85,d85_4,c,27,-0.082).
10256atm(d85,d85_5,c,27,0.018).
10257atm(d85,d85_6,c,22,-0.112).
10258atm(d85,d85_7,c,27,-0.082).
10259atm(d85,d85_8,c,27,-0.082).
10260atm(d85,d85_9,c,26,-0.082).
10261atm(d85,d85_10,c,22,-0.112).
10262atm(d85,d85_11,c,22,-0.112).
10263atm(d85,d85_12,c,27,0.018).
10264atm(d85,d85_13,c,27,-0.082).
10265atm(d85,d85_14,c,27,-0.082).
10266atm(d85,d85_15,c,22,-0.112).
10267atm(d85,d85_16,c,22,-0.112).
10268atm(d85,d85_17,c,22,-0.112).
10269atm(d85,d85_18,c,22,-0.112).
10270atm(d85,d85_19,c,21,0.018).
10271atm(d85,d85_20,c,21,-0.112).
10272atm(d85,d85_21,h,3,0.147).
10273atm(d85,d85_22,h,3,0.148).
10274atm(d85,d85_23,h,3,0.148).
10275atm(d85,d85_24,h,3,0.147).
10276atm(d85,d85_25,h,3,0.147).
10277atm(d85,d85_26,h,3,0.147).
10278atm(d85,d85_27,h,3,0.147).
10279atm(d85,d85_28,h,3,0.147).
10280atm(d85,d85_29,h,3,0.147).
10281atm(d85,d85_30,h,3,0.147).
10282atm(d85,d85_31,h,3,0.147).
10283atm(d85,d85_32,n,38,0.817).
10284atm(d85,d85_33,o,40,-0.383).
10285atm(d85,d85_34,o,40,-0.383).
10286
10287bond(d85,d85_1,d85_2,7).
10288bond(d85,d85_2,d85_3,7).
10289bond(d85,d85_3,d85_4,7).
10290bond(d85,d85_4,d85_5,7).
10291bond(d85,d85_5,d85_6,7).
10292bond(d85,d85_6,d85_1,7).
10293bond(d85,d85_4,d85_7,7).
10294bond(d85,d85_7,d85_8,7).
10295bond(d85,d85_8,d85_9,7).
10296bond(d85,d85_9,d85_10,7).
10297bond(d85,d85_10,d85_5,7).
10298bond(d85,d85_7,d85_11,7).
10299bond(d85,d85_11,d85_12,7).
10300bond(d85,d85_12,d85_13,7).
10301bond(d85,d85_13,d85_14,7).
10302bond(d85,d85_14,d85_8,7).
10303bond(d85,d85_12,d85_15,7).
10304bond(d85,d85_15,d85_16,7).
10305bond(d85,d85_16,d85_17,7).
10306bond(d85,d85_17,d85_18,7).
10307bond(d85,d85_18,d85_13,7).
10308bond(d85,d85_19,d85_9,7).
10309bond(d85,d85_19,d85_20,7).
10310bond(d85,d85_20,d85_14,7).
10311bond(d85,d85_1,d85_21,1).
10312bond(d85,d85_2,d85_22,1).
10313bond(d85,d85_3,d85_23,1).
10314bond(d85,d85_6,d85_24,1).
10315bond(d85,d85_10,d85_25,1).
10316bond(d85,d85_11,d85_26,1).
10317bond(d85,d85_15,d85_27,1).
10318bond(d85,d85_16,d85_28,1).
10319bond(d85,d85_17,d85_29,1).
10320bond(d85,d85_18,d85_30,1).
10321bond(d85,d85_20,d85_31,1).
10322bond(d85,d85_32,d85_19,1).
10323bond(d85,d85_33,d85_32,2).
10324bond(d85,d85_32,d85_34,2).
10325atm(d86,d86_1,c,22,-0.109).
10326atm(d86,d86_2,c,22,-0.109).
10327atm(d86,d86_3,c,22,-0.109).
10328atm(d86,d86_4,c,27,-0.079).
10329atm(d86,d86_5,c,27,0.021).
10330atm(d86,d86_6,c,22,-0.109).
10331atm(d86,d86_7,c,27,-0.079).
10332atm(d86,d86_8,c,27,-0.079).
10333atm(d86,d86_9,c,26,-0.079).
10334atm(d86,d86_10,c,22,-0.109).
10335atm(d86,d86_11,c,22,-0.109).
10336atm(d86,d86_12,c,27,0.021).
10337atm(d86,d86_13,c,27,-0.079).
10338atm(d86,d86_14,c,27,-0.079).
10339atm(d86,d86_15,c,22,-0.109).
10340atm(d86,d86_16,c,22,-0.108).
10341atm(d86,d86_17,c,22,-0.108).
10342atm(d86,d86_18,c,22,-0.109).
10343atm(d86,d86_19,c,21,-0.079).
10344atm(d86,d86_20,c,21,-0.109).
10345atm(d86,d86_21,h,3,0.152).
10346atm(d86,d86_22,h,3,0.152).
10347atm(d86,d86_23,h,3,0.152).
10348atm(d86,d86_24,h,3,0.152).
10349atm(d86,d86_25,h,3,0.152).
10350atm(d86,d86_26,h,3,0.152).
10351atm(d86,d86_27,h,3,0.152).
10352atm(d86,d86_28,h,3,0.152).
10353atm(d86,d86_29,h,3,0.152).
10354atm(d86,d86_30,h,3,0.152).
10355atm(d86,d86_31,h,3,0.122).
10356atm(d86,d86_32,n,38,0.822).
10357atm(d86,d86_33,o,40,-0.378).
10358atm(d86,d86_34,o,40,-0.378).
10359
10360bond(d86,d86_1,d86_2,7).
10361bond(d86,d86_2,d86_3,7).
10362bond(d86,d86_3,d86_4,7).
10363bond(d86,d86_4,d86_5,7).
10364bond(d86,d86_5,d86_6,7).
10365bond(d86,d86_6,d86_1,7).
10366bond(d86,d86_4,d86_7,7).
10367bond(d86,d86_7,d86_8,7).
10368bond(d86,d86_8,d86_9,7).
10369bond(d86,d86_9,d86_10,7).
10370bond(d86,d86_10,d86_5,7).
10371bond(d86,d86_7,d86_11,7).
10372bond(d86,d86_11,d86_12,7).
10373bond(d86,d86_12,d86_13,7).
10374bond(d86,d86_13,d86_14,7).
10375bond(d86,d86_14,d86_8,7).
10376bond(d86,d86_12,d86_15,7).
10377bond(d86,d86_15,d86_16,7).
10378bond(d86,d86_16,d86_17,7).
10379bond(d86,d86_17,d86_18,7).
10380bond(d86,d86_18,d86_13,7).
10381bond(d86,d86_19,d86_9,7).
10382bond(d86,d86_19,d86_20,7).
10383bond(d86,d86_20,d86_14,7).
10384bond(d86,d86_1,d86_21,1).
10385bond(d86,d86_2,d86_22,1).
10386bond(d86,d86_3,d86_23,1).
10387bond(d86,d86_6,d86_24,1).
10388bond(d86,d86_11,d86_25,1).
10389bond(d86,d86_15,d86_26,1).
10390bond(d86,d86_16,d86_27,1).
10391bond(d86,d86_17,d86_28,1).
10392bond(d86,d86_18,d86_29,1).
10393bond(d86,d86_20,d86_30,1).
10394bond(d86,d86_19,d86_31,1).
10395bond(d86,d86_32,d86_10,1).
10396bond(d86,d86_33,d86_32,2).
10397bond(d86,d86_32,d86_34,2).
10398atm(d87,d87_1,c,22,-0.141).
10399atm(d87,d87_2,c,22,-0.141).
10400atm(d87,d87_3,c,26,0.09).
10401atm(d87,d87_4,c,26,0.09).
10402atm(d87,d87_5,c,22,-0.141).
10403atm(d87,d87_6,c,22,-0.141).
10404atm(d87,d87_7,c,26,0.09).
10405atm(d87,d87_8,c,22,-0.141).
10406atm(d87,d87_9,c,22,-0.141).
10407atm(d87,d87_10,c,22,-0.14).
10408atm(d87,d87_11,c,22,-0.141).
10409atm(d87,d87_12,c,26,0.09).
10410atm(d87,d87_13,o,52,-0.04).
10411atm(d87,d87_14,n,38,0.789).
10412atm(d87,d87_15,o,40,-0.411).
10413atm(d87,d87_16,o,40,-0.411).
10414atm(d87,d87_17,h,3,0.12).
10415atm(d87,d87_18,h,3,0.12).
10416atm(d87,d87_19,h,3,0.12).
10417atm(d87,d87_20,h,3,0.12).
10418atm(d87,d87_21,h,3,0.12).
10419atm(d87,d87_22,h,3,0.12).
10420atm(d87,d87_23,h,3,0.12).
10421
10422bond(d87,d87_1,d87_2,7).
10423bond(d87,d87_2,d87_3,7).
10424bond(d87,d87_3,d87_4,7).
10425bond(d87,d87_4,d87_5,7).
10426bond(d87,d87_5,d87_6,7).
10427bond(d87,d87_6,d87_1,7).
10428bond(d87,d87_7,d87_8,7).
10429bond(d87,d87_8,d87_9,7).
10430bond(d87,d87_9,d87_10,7).
10431bond(d87,d87_10,d87_11,7).
10432bond(d87,d87_11,d87_12,7).
10433bond(d87,d87_12,d87_7,7).
10434bond(d87,d87_4,d87_12,7).
10435bond(d87,d87_3,d87_13,7).
10436bond(d87,d87_13,d87_7,7).
10437bond(d87,d87_9,d87_14,1).
10438bond(d87,d87_14,d87_15,2).
10439bond(d87,d87_14,d87_16,2).
10440bond(d87,d87_1,d87_17,1).
10441bond(d87,d87_2,d87_18,1).
10442bond(d87,d87_5,d87_19,1).
10443bond(d87,d87_6,d87_20,1).
10444bond(d87,d87_8,d87_21,1).
10445bond(d87,d87_10,d87_22,1).
10446bond(d87,d87_11,d87_23,1).
10447atm(d88,d88_1,c,22,-0.129).
10448atm(d88,d88_2,c,22,-0.129).
10449atm(d88,d88_3,c,22,-0.129).
10450atm(d88,d88_4,c,22,-0.129).
10451atm(d88,d88_5,c,22,0.001).
10452atm(d88,d88_6,c,22,-0.129).
10453atm(d88,d88_7,h,3,0.13).
10454atm(d88,d88_8,h,3,0.13).
10455atm(d88,d88_9,h,3,0.13).
10456atm(d88,d88_10,h,3,0.13).
10457atm(d88,d88_11,c,14,0.55).
10458atm(d88,d88_12,c,10,0.001).
10459atm(d88,d88_13,h,3,0.051).
10460atm(d88,d88_14,h,3,0.051).
10461atm(d88,d88_15,h,3,0.051).
10462atm(d88,d88_16,o,42,-0.58).
10463atm(d88,d88_17,n,38,0.8).
10464atm(d88,d88_18,o,40,-0.4).
10465atm(d88,d88_19,o,40,-0.4).
10466
10467bond(d88,d88_1,d88_2,7).
10468bond(d88,d88_2,d88_3,7).
10469bond(d88,d88_3,d88_4,7).
10470bond(d88,d88_4,d88_5,7).
10471bond(d88,d88_5,d88_6,7).
10472bond(d88,d88_6,d88_1,7).
10473bond(d88,d88_1,d88_7,1).
10474bond(d88,d88_3,d88_8,1).
10475bond(d88,d88_4,d88_9,1).
10476bond(d88,d88_6,d88_10,1).
10477bond(d88,d88_11,d88_5,1).
10478bond(d88,d88_11,d88_12,1).
10479bond(d88,d88_12,d88_13,1).
10480bond(d88,d88_12,d88_14,1).
10481bond(d88,d88_12,d88_15,1).
10482bond(d88,d88_11,d88_16,2).
10483bond(d88,d88_2,d88_17,1).
10484bond(d88,d88_17,d88_18,2).
10485bond(d88,d88_17,d88_19,2).
10486atm(d89,d89_1,c,22,-0.107).
10487atm(d89,d89_2,c,22,-0.107).
10488atm(d89,d89_3,c,26,0.323).
10489atm(d89,d89_4,c,26,0.123).
10490atm(d89,d89_5,c,22,-0.107).
10491atm(d89,d89_6,c,22,-0.107).
10492atm(d89,d89_7,n,34,-0.517).
10493atm(d89,d89_8,n,34,-0.377).
10494atm(d89,d89_9,c,21,-0.107).
10495atm(d89,d89_10,c,10,0.113).
10496atm(d89,d89_11,n,38,0.823).
10497atm(d89,d89_12,o,40,-0.377).
10498atm(d89,d89_13,o,40,-0.377).
10499atm(d89,d89_14,h,3,0.153).
10500atm(d89,d89_15,h,3,0.123).
10501atm(d89,d89_16,h,3,0.153).
10502atm(d89,d89_17,h,3,0.153).
10503atm(d89,d89_18,h,3,0.073).
10504atm(d89,d89_19,h,3,0.073).
10505atm(d89,d89_20,h,3,0.073).
10506
10507bond(d89,d89_1,d89_2,7).
10508bond(d89,d89_2,d89_3,7).
10509bond(d89,d89_3,d89_4,7).
10510bond(d89,d89_4,d89_5,7).
10511bond(d89,d89_5,d89_6,7).
10512bond(d89,d89_6,d89_1,7).
10513bond(d89,d89_3,d89_7,7).
10514bond(d89,d89_7,d89_8,7).
10515bond(d89,d89_4,d89_9,7).
10516bond(d89,d89_9,d89_8,7).
10517bond(d89,d89_7,d89_10,1).
10518bond(d89,d89_2,d89_11,1).
10519bond(d89,d89_11,d89_12,2).
10520bond(d89,d89_11,d89_13,2).
10521bond(d89,d89_1,d89_14,1).
10522bond(d89,d89_5,d89_15,1).
10523bond(d89,d89_6,d89_16,1).
10524bond(d89,d89_9,d89_17,1).
10525bond(d89,d89_10,d89_18,1).
10526bond(d89,d89_10,d89_19,1).
10527bond(d89,d89_10,d89_20,1).
10528atm(d9,d9_1,c,22,-0.102).
10529atm(d9,d9_2,c,22,-0.102).
10530atm(d9,d9_3,c,26,-0.012).
10531atm(d9,d9_4,c,26,-0.072).
10532atm(d9,d9_5,c,22,-0.102).
10533atm(d9,d9_6,c,22,-0.102).
10534atm(d9,d9_7,n,34,-0.511).
10535atm(d9,d9_8,c,21,0.298).
10536atm(d9,d9_9,n,34,-0.511).
10537atm(d9,d9_10,n,38,0.829).
10538atm(d9,d9_11,o,40,-0.372).
10539atm(d9,d9_12,o,40,-0.372).
10540atm(d9,d9_13,h,3,0.158).
10541atm(d9,d9_14,h,3,0.158).
10542atm(d9,d9_15,h,3,0.158).
10543atm(d9,d9_16,h,3,0.128).
10544atm(d9,d9_17,h,1,0.529).
10545
10546bond(d9,d9_1,d9_2,7).
10547bond(d9,d9_2,d9_3,7).
10548bond(d9,d9_3,d9_4,7).
10549bond(d9,d9_4,d9_5,7).
10550bond(d9,d9_5,d9_6,7).
10551bond(d9,d9_6,d9_1,7).
10552bond(d9,d9_4,d9_7,7).
10553bond(d9,d9_7,d9_8,7).
10554bond(d9,d9_8,d9_9,7).
10555bond(d9,d9_9,d9_3,7).
10556bond(d9,d9_6,d9_10,1).
10557bond(d9,d9_10,d9_11,2).
10558bond(d9,d9_12,d9_10,2).
10559bond(d9,d9_1,d9_13,1).
10560bond(d9,d9_2,d9_14,1).
10561bond(d9,d9_5,d9_15,1).
10562bond(d9,d9_8,d9_16,1).
10563bond(d9,d9_9,d9_17,1).
10564atm(d90,d90_1,c,22,-0.109).
10565atm(d90,d90_2,c,22,-0.109).
10566atm(d90,d90_3,c,27,0.021).
10567atm(d90,d90_4,c,195,-0.079).
10568atm(d90,d90_5,c,195,-0.079).
10569atm(d90,d90_6,c,22,-0.109).
10570atm(d90,d90_7,h,3,0.152).
10571atm(d90,d90_8,h,3,0.152).
10572atm(d90,d90_9,h,3,0.152).
10573atm(d90,d90_10,c,22,-0.108).
10574atm(d90,d90_11,c,22,-0.109).
10575atm(d90,d90_12,c,27,0.021).
10576atm(d90,d90_13,c,195,-0.079).
10577atm(d90,d90_14,h,3,0.152).
10578atm(d90,d90_15,h,3,0.152).
10579atm(d90,d90_16,c,195,-0.079).
10580atm(d90,d90_17,c,27,-0.079).
10581atm(d90,d90_18,c,27,-0.079).
10582atm(d90,d90_19,c,22,-0.109).
10583atm(d90,d90_20,c,22,-0.108).
10584atm(d90,d90_21,c,22,-0.109).
10585atm(d90,d90_22,h,3,0.152).
10586atm(d90,d90_23,h,3,0.152).
10587atm(d90,d90_24,c,22,-0.109).
10588atm(d90,d90_25,c,22,-0.109).
10589atm(d90,d90_26,c,22,-0.109).
10590atm(d90,d90_27,c,22,-0.109).
10591atm(d90,d90_28,h,3,0.152).
10592atm(d90,d90_29,h,3,0.152).
10593atm(d90,d90_30,h,3,0.152).
10594atm(d90,d90_31,h,3,0.152).
10595atm(d90,d90_32,n,38,0.822).
10596atm(d90,d90_33,o,40,-0.378).
10597atm(d90,d90_34,o,40,-0.378).
10598
10599bond(d90,d90_1,d90_2,7).
10600bond(d90,d90_2,d90_3,7).
10601bond(d90,d90_3,d90_4,7).
10602bond(d90,d90_4,d90_5,7).
10603bond(d90,d90_5,d90_6,7).
10604bond(d90,d90_6,d90_1,7).
10605bond(d90,d90_1,d90_7,1).
10606bond(d90,d90_2,d90_8,1).
10607bond(d90,d90_6,d90_9,1).
10608bond(d90,d90_3,d90_10,7).
10609bond(d90,d90_10,d90_11,7).
10610bond(d90,d90_11,d90_12,7).
10611bond(d90,d90_12,d90_13,7).
10612bond(d90,d90_13,d90_4,7).
10613bond(d90,d90_10,d90_14,1).
10614bond(d90,d90_11,d90_15,1).
10615bond(d90,d90_13,d90_16,7).
10616bond(d90,d90_16,d90_17,7).
10617bond(d90,d90_17,d90_18,7).
10618bond(d90,d90_18,d90_5,7).
10619bond(d90,d90_12,d90_19,7).
10620bond(d90,d90_19,d90_20,7).
10621bond(d90,d90_20,d90_21,7).
10622bond(d90,d90_21,d90_16,7).
10623bond(d90,d90_19,d90_22,1).
10624bond(d90,d90_20,d90_23,1).
10625bond(d90,d90_17,d90_24,7).
10626bond(d90,d90_24,d90_25,7).
10627bond(d90,d90_25,d90_26,7).
10628bond(d90,d90_26,d90_27,7).
10629bond(d90,d90_27,d90_18,7).
10630bond(d90,d90_24,d90_28,1).
10631bond(d90,d90_25,d90_29,1).
10632bond(d90,d90_26,d90_30,1).
10633bond(d90,d90_27,d90_31,1).
10634bond(d90,d90_32,d90_21,1).
10635bond(d90,d90_33,d90_32,2).
10636bond(d90,d90_32,d90_34,2).
10637atm(d91,d91_1,c,10,0.206).
10638atm(d91,d91_2,c,10,0.017).
10639atm(d91,d91_3,c,22,-0.114).
10640atm(d91,d91_4,c,22,0.017).
10641atm(d91,d91_5,c,10,-0.083).
10642atm(d91,d91_6,c,10,-0.083).
10643atm(d91,d91_7,c,22,-0.113).
10644atm(d91,d91_8,c,27,0.017).
10645atm(d91,d91_9,c,27,-0.083).
10646atm(d91,d91_10,c,27,0.017).
10647atm(d91,d91_11,c,22,-0.113).
10648atm(d91,d91_12,c,22,-0.113).
10649atm(d91,d91_13,c,27,0.017).
10650atm(d91,d91_14,c,27,-0.083).
10651atm(d91,d91_15,c,27,0.017).
10652atm(d91,d91_16,c,22,-0.113).
10653atm(d91,d91_17,c,22,-0.114).
10654atm(d91,d91_18,c,22,-0.114).
10655atm(d91,d91_19,c,22,-0.113).
10656atm(d91,d91_20,c,22,-0.113).
10657atm(d91,d91_21,n,38,0.816).
10658atm(d91,d91_22,o,40,-0.385).
10659atm(d91,d91_23,o,40,-0.385).
10660atm(d91,d91_24,h,3,0.067).
10661atm(d91,d91_25,h,3,0.067).
10662atm(d91,d91_26,h,3,0.067).
10663atm(d91,d91_27,h,3,0.067).
10664atm(d91,d91_28,h,3,0.146).
10665atm(d91,d91_29,h,3,0.146).
10666atm(d91,d91_30,h,3,0.146).
10667atm(d91,d91_31,h,3,0.146).
10668atm(d91,d91_32,h,3,0.146).
10669atm(d91,d91_33,h,3,0.146).
10670atm(d91,d91_34,h,3,0.146).
10671atm(d91,d91_35,o,45,-0.634).
10672atm(d91,d91_36,h,3,0.077).
10673atm(d91,d91_37,o,45,-0.634).
10674atm(d91,d91_38,h,3,0.067).
10675atm(d91,d91_39,h,8,0.416).
10676atm(d91,d91_40,h,8,0.416).
10677
10678bond(d91,d91_1,d91_2,1).
10679bond(d91,d91_2,d91_3,1).
10680bond(d91,d91_3,d91_4,7).
10681bond(d91,d91_4,d91_5,1).
10682bond(d91,d91_5,d91_6,1).
10683bond(d91,d91_6,d91_1,1).
10684bond(d91,d91_3,d91_7,7).
10685bond(d91,d91_7,d91_8,7).
10686bond(d91,d91_8,d91_9,7).
10687bond(d91,d91_9,d91_10,7).
10688bond(d91,d91_10,d91_4,7).
10689bond(d91,d91_8,d91_11,7).
10690bond(d91,d91_11,d91_12,7).
10691bond(d91,d91_12,d91_13,7).
10692bond(d91,d91_13,d91_14,7).
10693bond(d91,d91_14,d91_9,7).
10694bond(d91,d91_14,d91_15,7).
10695bond(d91,d91_15,d91_16,7).
10696bond(d91,d91_16,d91_17,7).
10697bond(d91,d91_17,d91_10,7).
10698bond(d91,d91_13,d91_18,7).
10699bond(d91,d91_18,d91_19,7).
10700bond(d91,d91_19,d91_20,7).
10701bond(d91,d91_20,d91_15,7).
10702bond(d91,d91_18,d91_21,1).
10703bond(d91,d91_21,d91_22,2).
10704bond(d91,d91_21,d91_23,2).
10705bond(d91,d91_5,d91_24,1).
10706bond(d91,d91_5,d91_25,1).
10707bond(d91,d91_6,d91_26,1).
10708bond(d91,d91_6,d91_27,1).
10709bond(d91,d91_7,d91_28,1).
10710bond(d91,d91_11,d91_29,1).
10711bond(d91,d91_12,d91_30,1).
10712bond(d91,d91_16,d91_31,1).
10713bond(d91,d91_17,d91_32,1).
10714bond(d91,d91_19,d91_33,1).
10715bond(d91,d91_20,d91_34,1).
10716bond(d91,d91_1,d91_35,4).
10717bond(d91,d91_1,d91_36,1).
10718bond(d91,d91_2,d91_37,5).
10719bond(d91,d91_2,d91_38,1).
10720bond(d91,d91_35,d91_39,1).
10721bond(d91,d91_37,d91_40,1).
10722atm(d92,d92_1,c,22,-0.126).
10723atm(d92,d92_2,c,22,-0.126).
10724atm(d92,d92_3,c,22,0.004).
10725atm(d92,d92_4,c,29,0.004).
10726atm(d92,d92_5,c,22,0.004).
10727atm(d92,d92_6,c,22,-0.126).
10728atm(d92,d92_7,c,10,-0.096).
10729atm(d92,d92_8,c,10,-0.096).
10730atm(d92,d92_9,c,22,0.004).
10731atm(d92,d92_10,c,29,0.004).
10732atm(d92,d92_11,c,22,0.004).
10733atm(d92,d92_12,c,10,-0.096).
10734atm(d92,d92_13,c,10,-0.096).
10735atm(d92,d92_14,c,22,-0.126).
10736atm(d92,d92_15,c,22,-0.126).
10737atm(d92,d92_16,c,22,-0.126).
10738atm(d92,d92_17,n,38,0.805).
10739atm(d92,d92_18,o,40,-0.395).
10740atm(d92,d92_19,o,40,-0.396).
10741atm(d92,d92_20,h,3,0.134).
10742atm(d92,d92_21,h,3,0.134).
10743atm(d92,d92_22,h,3,0.134).
10744atm(d92,d92_23,h,3,0.134).
10745atm(d92,d92_24,h,3,0.134).
10746atm(d92,d92_25,h,3,0.054).
10747atm(d92,d92_26,h,3,0.054).
10748atm(d92,d92_27,h,3,0.054).
10749atm(d92,d92_28,h,3,0.054).
10750atm(d92,d92_29,h,3,0.054).
10751atm(d92,d92_30,h,3,0.054).
10752atm(d92,d92_31,h,3,0.054).
10753atm(d92,d92_32,h,3,0.054).
10754
10755bond(d92,d92_1,d92_2,7).
10756bond(d92,d92_2,d92_3,7).
10757bond(d92,d92_3,d92_4,7).
10758bond(d92,d92_4,d92_5,7).
10759bond(d92,d92_5,d92_6,7).
10760bond(d92,d92_6,d92_1,7).
10761bond(d92,d92_3,d92_7,1).
10762bond(d92,d92_7,d92_8,1).
10763bond(d92,d92_8,d92_9,1).
10764bond(d92,d92_9,d92_10,7).
10765bond(d92,d92_10,d92_4,1).
10766bond(d92,d92_10,d92_11,7).
10767bond(d92,d92_11,d92_12,1).
10768bond(d92,d92_12,d92_13,1).
10769bond(d92,d92_13,d92_5,1).
10770bond(d92,d92_9,d92_14,7).
10771bond(d92,d92_14,d92_15,7).
10772bond(d92,d92_15,d92_16,7).
10773bond(d92,d92_16,d92_11,7).
10774bond(d92,d92_15,d92_17,1).
10775bond(d92,d92_17,d92_18,2).
10776bond(d92,d92_17,d92_19,2).
10777bond(d92,d92_1,d92_20,1).
10778bond(d92,d92_2,d92_21,1).
10779bond(d92,d92_6,d92_22,1).
10780bond(d92,d92_14,d92_23,1).
10781bond(d92,d92_16,d92_24,1).
10782bond(d92,d92_13,d92_25,1).
10783bond(d92,d92_13,d92_26,1).
10784bond(d92,d92_12,d92_27,1).
10785bond(d92,d92_12,d92_28,1).
10786bond(d92,d92_8,d92_29,1).
10787bond(d92,d92_8,d92_30,1).
10788bond(d92,d92_7,d92_31,1).
10789bond(d92,d92_7,d92_32,1).
10790atm(d93,d93_1,c,22,-0.109).
10791atm(d93,d93_2,c,22,-0.109).
10792atm(d93,d93_3,c,27,0.021).
10793atm(d93,d93_4,c,195,-0.079).
10794atm(d93,d93_5,c,195,-0.079).
10795atm(d93,d93_6,c,22,-0.109).
10796atm(d93,d93_7,h,3,0.152).
10797atm(d93,d93_8,h,3,0.152).
10798atm(d93,d93_9,h,3,0.152).
10799atm(d93,d93_10,c,22,-0.108).
10800atm(d93,d93_11,c,22,-0.109).
10801atm(d93,d93_12,c,27,0.021).
10802atm(d93,d93_13,c,195,-0.079).
10803atm(d93,d93_14,h,3,0.152).
10804atm(d93,d93_15,h,3,0.152).
10805atm(d93,d93_16,c,195,-0.079).
10806atm(d93,d93_17,c,27,-0.079).
10807atm(d93,d93_18,c,27,-0.079).
10808atm(d93,d93_19,c,22,-0.109).
10809atm(d93,d93_20,c,22,-0.108).
10810atm(d93,d93_21,c,22,-0.109).
10811atm(d93,d93_22,h,3,0.152).
10812atm(d93,d93_23,h,3,0.152).
10813atm(d93,d93_24,c,22,-0.109).
10814atm(d93,d93_25,c,22,-0.109).
10815atm(d93,d93_26,c,22,-0.109).
10816atm(d93,d93_27,c,22,-0.109).
10817atm(d93,d93_28,h,3,0.152).
10818atm(d93,d93_29,h,3,0.152).
10819atm(d93,d93_30,h,3,0.152).
10820atm(d93,d93_31,h,3,0.152).
10821atm(d93,d93_32,n,38,0.822).
10822atm(d93,d93_33,o,40,-0.378).
10823atm(d93,d93_34,o,40,-0.378).
10824
10825bond(d93,d93_1,d93_2,7).
10826bond(d93,d93_2,d93_3,7).
10827bond(d93,d93_3,d93_4,7).
10828bond(d93,d93_4,d93_5,7).
10829bond(d93,d93_5,d93_6,7).
10830bond(d93,d93_6,d93_1,7).
10831bond(d93,d93_1,d93_7,1).
10832bond(d93,d93_2,d93_8,1).
10833bond(d93,d93_6,d93_9,1).
10834bond(d93,d93_3,d93_10,7).
10835bond(d93,d93_10,d93_11,7).
10836bond(d93,d93_11,d93_12,7).
10837bond(d93,d93_12,d93_13,7).
10838bond(d93,d93_13,d93_4,7).
10839bond(d93,d93_10,d93_14,1).
10840bond(d93,d93_11,d93_15,1).
10841bond(d93,d93_13,d93_16,7).
10842bond(d93,d93_16,d93_17,7).
10843bond(d93,d93_17,d93_18,7).
10844bond(d93,d93_18,d93_5,7).
10845bond(d93,d93_12,d93_19,7).
10846bond(d93,d93_19,d93_20,7).
10847bond(d93,d93_20,d93_21,7).
10848bond(d93,d93_21,d93_16,7).
10849bond(d93,d93_20,d93_22,1).
10850bond(d93,d93_21,d93_23,1).
10851bond(d93,d93_17,d93_24,7).
10852bond(d93,d93_24,d93_25,7).
10853bond(d93,d93_25,d93_26,7).
10854bond(d93,d93_26,d93_27,7).
10855bond(d93,d93_27,d93_18,7).
10856bond(d93,d93_24,d93_28,1).
10857bond(d93,d93_25,d93_29,1).
10858bond(d93,d93_26,d93_30,1).
10859bond(d93,d93_27,d93_31,1).
10860bond(d93,d93_19,d93_32,1).
10861bond(d93,d93_32,d93_33,2).
10862bond(d93,d93_32,d93_34,2).
10863atm(d94,d94_1,c,22,-0.118).
10864atm(d94,d94_2,c,22,-0.118).
10865atm(d94,d94_3,c,27,0.012).
10866atm(d94,d94_4,c,27,-0.088).
10867atm(d94,d94_5,c,27,0.012).
10868atm(d94,d94_6,c,22,-0.118).
10869atm(d94,d94_7,h,3,0.142).
10870atm(d94,d94_8,h,3,0.141).
10871atm(d94,d94_9,h,3,0.141).
10872atm(d94,d94_10,c,22,-0.118).
10873atm(d94,d94_11,c,22,-0.118).
10874atm(d94,d94_12,c,27,0.012).
10875atm(d94,d94_13,c,27,-0.088).
10876atm(d94,d94_14,h,3,0.141).
10877atm(d94,d94_15,c,27,0.012).
10878atm(d94,d94_16,c,22,-0.118).
10879atm(d94,d94_17,c,22,-0.118).
10880atm(d94,d94_18,h,3,0.142).
10881atm(d94,d94_19,h,3,0.142).
10882atm(d94,d94_20,c,22,-0.118).
10883atm(d94,d94_21,c,22,-0.118).
10884atm(d94,d94_22,c,22,-0.118).
10885atm(d94,d94_23,h,3,0.142).
10886atm(d94,d94_24,h,3,0.142).
10887atm(d94,d94_25,h,3,0.142).
10888atm(d94,d94_26,n,38,0.811).
10889atm(d94,d94_27,o,40,-0.389).
10890atm(d94,d94_28,o,40,-0.389).
10891
10892bond(d94,d94_1,d94_2,7).
10893bond(d94,d94_2,d94_3,7).
10894bond(d94,d94_3,d94_4,7).
10895bond(d94,d94_4,d94_5,7).
10896bond(d94,d94_5,d94_6,7).
10897bond(d94,d94_6,d94_1,7).
10898bond(d94,d94_1,d94_7,1).
10899bond(d94,d94_2,d94_8,1).
10900bond(d94,d94_6,d94_9,1).
10901bond(d94,d94_3,d94_10,7).
10902bond(d94,d94_10,d94_11,7).
10903bond(d94,d94_11,d94_12,7).
10904bond(d94,d94_12,d94_13,7).
10905bond(d94,d94_13,d94_4,7).
10906bond(d94,d94_10,d94_14,1).
10907bond(d94,d94_13,d94_15,7).
10908bond(d94,d94_15,d94_16,7).
10909bond(d94,d94_16,d94_17,7).
10910bond(d94,d94_17,d94_5,7).
10911bond(d94,d94_16,d94_18,1).
10912bond(d94,d94_17,d94_19,1).
10913bond(d94,d94_12,d94_20,7).
10914bond(d94,d94_20,d94_21,7).
10915bond(d94,d94_21,d94_22,7).
10916bond(d94,d94_22,d94_15,7).
10917bond(d94,d94_20,d94_23,1).
10918bond(d94,d94_21,d94_24,1).
10919bond(d94,d94_22,d94_25,1).
10920bond(d94,d94_11,d94_26,1).
10921bond(d94,d94_26,d94_27,2).
10922bond(d94,d94_26,d94_28,2).
10923atm(d95,d95_1,c,22,-0.114).
10924atm(d95,d95_2,c,22,-0.114).
10925atm(d95,d95_3,c,27,0.016).
10926atm(d95,d95_4,c,27,0.016).
10927atm(d95,d95_5,c,22,-0.114).
10928atm(d95,d95_6,c,22,-0.114).
10929atm(d95,d95_7,h,3,0.146).
10930atm(d95,d95_8,h,3,0.146).
10931atm(d95,d95_9,h,3,0.146).
10932atm(d95,d95_10,c,22,-0.114).
10933atm(d95,d95_11,c,22,-0.114).
10934atm(d95,d95_12,c,22,-0.114).
10935atm(d95,d95_13,c,22,-0.114).
10936atm(d95,d95_14,h,3,0.146).
10937atm(d95,d95_15,h,3,0.146).
10938atm(d95,d95_16,n,38,0.817).
10939atm(d95,d95_17,n,38,0.817).
10940atm(d95,d95_18,n,38,0.817).
10941atm(d95,d95_19,o,40,-0.384).
10942atm(d95,d95_20,o,40,-0.384).
10943atm(d95,d95_21,o,40,-0.383).
10944atm(d95,d95_22,o,40,-0.384).
10945atm(d95,d95_23,o,40,-0.383).
10946atm(d95,d95_24,o,40,-0.383).
10947
10948bond(d95,d95_1,d95_2,7).
10949bond(d95,d95_2,d95_3,7).
10950bond(d95,d95_3,d95_4,7).
10951bond(d95,d95_4,d95_5,7).
10952bond(d95,d95_5,d95_6,7).
10953bond(d95,d95_6,d95_1,7).
10954bond(d95,d95_1,d95_7,1).
10955bond(d95,d95_5,d95_8,1).
10956bond(d95,d95_6,d95_9,1).
10957bond(d95,d95_3,d95_10,7).
10958bond(d95,d95_10,d95_11,7).
10959bond(d95,d95_11,d95_12,7).
10960bond(d95,d95_12,d95_13,7).
10961bond(d95,d95_13,d95_4,7).
10962bond(d95,d95_10,d95_14,1).
10963bond(d95,d95_13,d95_15,1).
10964bond(d95,d95_12,d95_16,1).
10965bond(d95,d95_11,d95_17,1).
10966bond(d95,d95_2,d95_18,1).
10967bond(d95,d95_16,d95_19,2).
10968bond(d95,d95_16,d95_20,2).
10969bond(d95,d95_17,d95_21,2).
10970bond(d95,d95_17,d95_22,2).
10971bond(d95,d95_18,d95_23,2).
10972bond(d95,d95_18,d95_24,2).
10973atm(d96,d96_1,c,22,-0.112).
10974atm(d96,d96_2,c,22,-0.112).
10975atm(d96,d96_3,c,27,0.018).
10976atm(d96,d96_4,c,27,-0.082).
10977atm(d96,d96_5,c,27,0.018).
10978atm(d96,d96_6,c,22,-0.112).
10979atm(d96,d96_7,h,3,0.149).
10980atm(d96,d96_8,h,3,0.149).
10981atm(d96,d96_9,c,22,-0.112).
10982atm(d96,d96_10,c,22,-0.112).
10983atm(d96,d96_11,c,27,0.018).
10984atm(d96,d96_12,c,27,-0.082).
10985atm(d96,d96_13,h,3,0.149).
10986atm(d96,d96_14,h,3,0.148).
10987atm(d96,d96_15,c,27,0.018).
10988atm(d96,d96_16,c,22,-0.112).
10989atm(d96,d96_17,c,22,-0.112).
10990atm(d96,d96_18,h,3,0.149).
10991atm(d96,d96_19,h,3,0.149).
10992atm(d96,d96_20,c,22,-0.112).
10993atm(d96,d96_21,c,22,-0.112).
10994atm(d96,d96_22,c,22,-0.112).
10995atm(d96,d96_23,h,3,0.148).
10996atm(d96,d96_24,n,38,0.819).
10997atm(d96,d96_25,n,38,0.819).
10998atm(d96,d96_26,n,38,0.819).
10999atm(d96,d96_27,o,40,-0.381).
11000atm(d96,d96_28,o,40,-0.381).
11001atm(d96,d96_29,o,40,-0.381).
11002atm(d96,d96_30,o,40,-0.381).
11003atm(d96,d96_31,o,40,-0.381).
11004atm(d96,d96_32,o,40,-0.381).
11005
11006bond(d96,d96_1,d96_2,7).
11007bond(d96,d96_2,d96_3,7).
11008bond(d96,d96_3,d96_4,7).
11009bond(d96,d96_4,d96_5,7).
11010bond(d96,d96_5,d96_6,7).
11011bond(d96,d96_6,d96_1,7).
11012bond(d96,d96_1,d96_7,1).
11013bond(d96,d96_6,d96_8,1).
11014bond(d96,d96_3,d96_9,7).
11015bond(d96,d96_9,d96_10,7).
11016bond(d96,d96_10,d96_11,7).
11017bond(d96,d96_11,d96_12,7).
11018bond(d96,d96_12,d96_4,7).
11019bond(d96,d96_9,d96_13,1).
11020bond(d96,d96_10,d96_14,1).
11021bond(d96,d96_12,d96_15,7).
11022bond(d96,d96_15,d96_16,7).
11023bond(d96,d96_16,d96_17,7).
11024bond(d96,d96_17,d96_5,7).
11025bond(d96,d96_16,d96_18,1).
11026bond(d96,d96_17,d96_19,1).
11027bond(d96,d96_11,d96_20,7).
11028bond(d96,d96_20,d96_21,7).
11029bond(d96,d96_21,d96_22,7).
11030bond(d96,d96_22,d96_15,7).
11031bond(d96,d96_21,d96_23,1).
11032bond(d96,d96_22,d96_24,1).
11033bond(d96,d96_20,d96_25,1).
11034bond(d96,d96_2,d96_26,1).
11035bond(d96,d96_24,d96_27,2).
11036bond(d96,d96_24,d96_28,2).
11037bond(d96,d96_25,d96_29,2).
11038bond(d96,d96_25,d96_30,2).
11039bond(d96,d96_26,d96_31,2).
11040bond(d96,d96_26,d96_32,2).
11041atm(d97,d97_1,c,22,-0.118).
11042atm(d97,d97_2,c,22,-0.118).
11043atm(d97,d97_3,c,22,-0.119).
11044atm(d97,d97_4,c,29,0.011).
11045atm(d97,d97_5,c,22,-0.119).
11046atm(d97,d97_6,c,22,-0.119).
11047atm(d97,d97_7,h,3,0.142).
11048atm(d97,d97_8,h,3,0.142).
11049atm(d97,d97_9,h,3,0.142).
11050atm(d97,d97_10,c,22,-0.119).
11051atm(d97,d97_11,c,22,-0.119).
11052atm(d97,d97_12,c,22,-0.168).
11053atm(d97,d97_13,c,22,-0.119).
11054atm(d97,d97_14,c,22,-0.119).
11055atm(d97,d97_15,c,29,0.011).
11056atm(d97,d97_16,h,3,0.142).
11057atm(d97,d97_17,h,3,0.142).
11058atm(d97,d97_18,h,3,0.142).
11059atm(d97,d97_19,c,10,0.011).
11060atm(d97,d97_20,h,3,0.061).
11061atm(d97,d97_21,h,3,0.061).
11062atm(d97,d97_22,c,10,0.011).
11063atm(d97,d97_23,h,3,0.061).
11064atm(d97,d97_24,h,3,0.061).
11065atm(d97,d97_25,h,3,0.061).
11066atm(d97,d97_26,n,38,0.812).
11067atm(d97,d97_27,o,40,-0.388).
11068atm(d97,d97_28,o,40,-0.388).
11069
11070bond(d97,d97_1,d97_2,7).
11071bond(d97,d97_2,d97_3,7).
11072bond(d97,d97_3,d97_4,7).
11073bond(d97,d97_4,d97_5,7).
11074bond(d97,d97_5,d97_6,7).
11075bond(d97,d97_6,d97_1,7).
11076bond(d97,d97_2,d97_7,1).
11077bond(d97,d97_5,d97_8,1).
11078bond(d97,d97_6,d97_9,1).
11079bond(d97,d97_10,d97_11,7).
11080bond(d97,d97_11,d97_12,7).
11081bond(d97,d97_12,d97_13,7).
11082bond(d97,d97_13,d97_14,7).
11083bond(d97,d97_14,d97_15,7).
11084bond(d97,d97_15,d97_10,7).
11085bond(d97,d97_11,d97_16,1).
11086bond(d97,d97_13,d97_17,1).
11087bond(d97,d97_14,d97_18,1).
11088bond(d97,d97_4,d97_15,1).
11089bond(d97,d97_3,d97_19,1).
11090bond(d97,d97_19,d97_10,1).
11091bond(d97,d97_19,d97_20,1).
11092bond(d97,d97_19,d97_21,1).
11093bond(d97,d97_12,d97_22,1).
11094bond(d97,d97_22,d97_23,1).
11095bond(d97,d97_22,d97_24,1).
11096bond(d97,d97_22,d97_25,1).
11097bond(d97,d97_1,d97_26,1).
11098bond(d97,d97_26,d97_27,2).
11099bond(d97,d97_26,d97_28,2).
11100atm(d98,d98_1,c,22,-0.115).
11101atm(d98,d98_2,c,22,-0.115).
11102atm(d98,d98_3,c,27,0.015).
11103atm(d98,d98_4,c,27,0.015).
11104atm(d98,d98_5,c,22,-0.115).
11105atm(d98,d98_6,c,22,-0.115).
11106atm(d98,d98_7,h,3,0.145).
11107atm(d98,d98_8,h,3,0.145).
11108atm(d98,d98_9,h,3,0.145).
11109atm(d98,d98_10,c,22,-0.115).
11110atm(d98,d98_11,n,35,-0.524).
11111atm(d98,d98_12,c,22,0.266).
11112atm(d98,d98_13,c,22,-0.115).
11113atm(d98,d98_14,h,3,0.145).
11114atm(d98,d98_15,h,3,0.145).
11115atm(d98,d98_16,h,3,0.145).
11116atm(d98,d98_17,n,38,0.816).
11117atm(d98,d98_18,o,40,-0.384).
11118atm(d98,d98_19,o,40,-0.384).
11119
11120bond(d98,d98_1,d98_2,7).
11121bond(d98,d98_2,d98_3,7).
11122bond(d98,d98_3,d98_4,7).
11123bond(d98,d98_4,d98_5,7).
11124bond(d98,d98_5,d98_6,7).
11125bond(d98,d98_6,d98_1,7).
11126bond(d98,d98_1,d98_7,1).
11127bond(d98,d98_2,d98_8,1).
11128bond(d98,d98_6,d98_9,1).
11129bond(d98,d98_3,d98_10,7).
11130bond(d98,d98_10,d98_11,7).
11131bond(d98,d98_11,d98_12,7).
11132bond(d98,d98_12,d98_13,7).
11133bond(d98,d98_13,d98_4,7).
11134bond(d98,d98_10,d98_14,1).
11135bond(d98,d98_12,d98_15,1).
11136bond(d98,d98_13,d98_16,1).
11137bond(d98,d98_5,d98_17,1).
11138bond(d98,d98_18,d98_17,2).
11139bond(d98,d98_17,d98_19,2).
11140atm(d99,d99_1,c,22,-0.116).
11141atm(d99,d99_2,c,22,-0.116).
11142atm(d99,d99_3,c,27,0.014).
11143atm(d99,d99_4,c,27,-0.086).
11144atm(d99,d99_5,c,26,-0.086).
11145atm(d99,d99_6,c,22,-0.116).
11146atm(d99,d99_7,c,22,-0.116).
11147atm(d99,d99_8,c,22,-0.116).
11148atm(d99,d99_9,c,22,-0.116).
11149atm(d99,d99_10,c,26,-0.086).
11150atm(d99,d99_11,c,21,0.014).
11151atm(d99,d99_12,c,21,-0.086).
11152atm(d99,d99_13,n,38,0.813).
11153atm(d99,d99_14,o,40,-0.387).
11154atm(d99,d99_15,o,40,-0.387).
11155atm(d99,d99_16,h,3,0.143).
11156atm(d99,d99_17,h,3,0.143).
11157atm(d99,d99_18,h,3,0.143).
11158atm(d99,d99_19,h,3,0.143).
11159atm(d99,d99_20,h,3,0.144).
11160atm(d99,d99_21,h,3,0.143).
11161atm(d99,d99_22,h,3,0.114).
11162
11163bond(d99,d99_1,d99_2,7).
11164bond(d99,d99_2,d99_3,7).
11165bond(d99,d99_3,d99_4,7).
11166bond(d99,d99_4,d99_5,7).
11167bond(d99,d99_5,d99_6,7).
11168bond(d99,d99_6,d99_1,7).
11169bond(d99,d99_3,d99_7,7).
11170bond(d99,d99_7,d99_8,7).
11171bond(d99,d99_8,d99_9,7).
11172bond(d99,d99_9,d99_10,7).
11173bond(d99,d99_10,d99_4,7).
11174bond(d99,d99_5,d99_11,7).
11175bond(d99,d99_11,d99_12,7).
11176bond(d99,d99_12,d99_10,7).
11177bond(d99,d99_11,d99_13,1).
11178bond(d99,d99_13,d99_14,2).
11179bond(d99,d99_13,d99_15,2).
11180bond(d99,d99_1,d99_16,1).
11181bond(d99,d99_2,d99_17,1).
11182bond(d99,d99_6,d99_18,1).
11183bond(d99,d99_7,d99_19,1).
11184bond(d99,d99_8,d99_20,1).
11185bond(d99,d99_9,d99_21,1).
11186bond(d99,d99_12,d99_22,1).
11187atm(e1,e1_1,c,22,-0.114).
11188atm(e1,e1_2,c,22,-0.114).
11189atm(e1,e1_3,c,27,0.016).
11190atm(e1,e1_4,c,27,-0.084).
11191atm(e1,e1_5,c,22,-0.114).
11192atm(e1,e1_6,c,22,-0.114).
11193atm(e1,e1_7,h,3,0.145).
11194atm(e1,e1_8,h,3,0.145).
11195atm(e1,e1_9,h,3,0.145).
11196atm(e1,e1_10,h,3,0.145).
11197atm(e1,e1_11,c,22,-0.114).
11198atm(e1,e1_12,c,27,0.016).
11199atm(e1,e1_13,c,195,-0.084).
11200atm(e1,e1_14,c,195,-0.084).
11201atm(e1,e1_15,c,22,-0.114).
11202atm(e1,e1_16,c,22,-0.114).
11203atm(e1,e1_17,c,27,0.016).
11204atm(e1,e1_18,c,27,-0.084).
11205atm(e1,e1_19,h,3,0.145).
11206atm(e1,e1_20,h,3,0.145).
11207atm(e1,e1_21,c,27,0.016).
11208atm(e1,e1_22,c,22,-0.114).
11209atm(e1,e1_23,c,22,-0.114).
11210atm(e1,e1_24,h,3,0.145).
11211atm(e1,e1_25,h,3,0.145).
11212atm(e1,e1_26,c,22,-0.114).
11213atm(e1,e1_27,c,22,-0.114).
11214atm(e1,e1_28,c,22,-0.114).
11215atm(e1,e1_29,h,3,0.145).
11216atm(e1,e1_30,h,3,0.145).
11217atm(e1,e1_31,h,3,0.145).
11218atm(e1,e1_32,n,38,0.815).
11219atm(e1,e1_33,o,40,-0.385).
11220atm(e1,e1_34,o,40,-0.385).
11221
11222bond(e1,e1_1,e1_2,7).
11223bond(e1,e1_2,e1_3,7).
11224bond(e1,e1_3,e1_4,7).
11225bond(e1,e1_4,e1_5,7).
11226bond(e1,e1_5,e1_6,7).
11227bond(e1,e1_6,e1_1,7).
11228bond(e1,e1_1,e1_7,1).
11229bond(e1,e1_2,e1_8,1).
11230bond(e1,e1_5,e1_9,1).
11231bond(e1,e1_6,e1_10,1).
11232bond(e1,e1_3,e1_11,7).
11233bond(e1,e1_11,e1_12,7).
11234bond(e1,e1_12,e1_13,7).
11235bond(e1,e1_13,e1_14,7).
11236bond(e1,e1_14,e1_4,7).
11237bond(e1,e1_12,e1_15,7).
11238bond(e1,e1_15,e1_16,7).
11239bond(e1,e1_16,e1_17,7).
11240bond(e1,e1_17,e1_18,7).
11241bond(e1,e1_18,e1_13,7).
11242bond(e1,e1_15,e1_19,1).
11243bond(e1,e1_16,e1_20,1).
11244bond(e1,e1_18,e1_21,7).
11245bond(e1,e1_21,e1_22,7).
11246bond(e1,e1_22,e1_23,7).
11247bond(e1,e1_23,e1_14,7).
11248bond(e1,e1_22,e1_24,1).
11249bond(e1,e1_23,e1_25,1).
11250bond(e1,e1_17,e1_26,7).
11251bond(e1,e1_26,e1_27,7).
11252bond(e1,e1_27,e1_28,7).
11253bond(e1,e1_28,e1_21,7).
11254bond(e1,e1_26,e1_29,1).
11255bond(e1,e1_27,e1_30,1).
11256bond(e1,e1_28,e1_31,1).
11257bond(e1,e1_11,e1_32,1).
11258bond(e1,e1_32,e1_33,2).
11259bond(e1,e1_32,e1_34,2).
11260atm(e10,e10_1,c,22,-0.138).
11261atm(e10,e10_2,c,22,-0.138).
11262atm(e10,e10_3,c,26,-0.048).
11263atm(e10,e10_4,c,26,0.092).
11264atm(e10,e10_5,c,22,-0.138).
11265atm(e10,e10_6,c,22,-0.138).
11266atm(e10,e10_7,n,34,-0.367).
11267atm(e10,e10_8,c,21,0.162).
11268atm(e10,e10_9,c,21,-0.108).
11269atm(e10,e10_10,n,38,0.793).
11270atm(e10,e10_11,o,40,-0.407).
11271atm(e10,e10_12,o,40,-0.407).
11272atm(e10,e10_13,h,3,0.122).
11273atm(e10,e10_14,h,3,0.092).
11274atm(e10,e10_15,h,3,0.122).
11275atm(e10,e10_16,h,3,0.122).
11276atm(e10,e10_17,h,3,0.092).
11277atm(e10,e10_18,h,1,0.292).
11278
11279bond(e10,e10_1,e10_2,7).
11280bond(e10,e10_2,e10_3,7).
11281bond(e10,e10_3,e10_4,7).
11282bond(e10,e10_4,e10_5,7).
11283bond(e10,e10_5,e10_6,7).
11284bond(e10,e10_6,e10_1,7).
11285bond(e10,e10_3,e10_7,7).
11286bond(e10,e10_7,e10_8,7).
11287bond(e10,e10_4,e10_9,7).
11288bond(e10,e10_9,e10_8,7).
11289bond(e10,e10_2,e10_10,1).
11290bond(e10,e10_10,e10_11,2).
11291bond(e10,e10_10,e10_12,2).
11292bond(e10,e10_1,e10_13,1).
11293bond(e10,e10_5,e10_14,1).
11294bond(e10,e10_6,e10_15,1).
11295bond(e10,e10_8,e10_16,1).
11296bond(e10,e10_9,e10_17,1).
11297bond(e10,e10_7,e10_18,1).
11298atm(e11,e11_1,c,22,-0.121).
11299atm(e11,e11_2,c,22,-0.121).
11300atm(e11,e11_3,c,22,0.31).
11301atm(e11,e11_4,c,22,-0.121).
11302atm(e11,e11_5,c,22,-0.121).
11303atm(e11,e11_6,c,22,-0.121).
11304atm(e11,e11_7,h,3,0.139).
11305atm(e11,e11_8,h,3,0.139).
11306atm(e11,e11_9,h,3,0.139).
11307atm(e11,e11_10,n,38,0.81).
11308atm(e11,e11_11,o,40,-0.39).
11309atm(e11,e11_12,o,40,-0.39).
11310atm(e11,e11_13,h,3,0.139).
11311atm(e11,e11_14,f,92,-0.291).
11312
11313bond(e11,e11_1,e11_2,7).
11314bond(e11,e11_2,e11_3,7).
11315bond(e11,e11_3,e11_4,7).
11316bond(e11,e11_4,e11_5,7).
11317bond(e11,e11_5,e11_6,7).
11318bond(e11,e11_6,e11_1,7).
11319bond(e11,e11_1,e11_7,1).
11320bond(e11,e11_2,e11_8,1).
11321bond(e11,e11_6,e11_9,1).
11322bond(e11,e11_5,e11_10,1).
11323bond(e11,e11_10,e11_11,2).
11324bond(e11,e11_10,e11_12,2).
11325bond(e11,e11_4,e11_13,1).
11326bond(e11,e11_3,e11_14,1).
11327atm(e12,e12_1,c,22,-0.114).
11328atm(e12,e12_2,c,22,-0.114).
11329atm(e12,e12_3,c,22,-0.114).
11330atm(e12,e12_4,c,22,-0.114).
11331atm(e12,e12_5,c,22,-0.114).
11332atm(e12,e12_6,c,22,-0.114).
11333atm(e12,e12_7,h,3,0.146).
11334atm(e12,e12_8,h,3,0.146).
11335atm(e12,e12_9,h,3,0.146).
11336atm(e12,e12_10,n,38,0.817).
11337atm(e12,e12_11,o,40,-0.384).
11338atm(e12,e12_12,o,40,-0.384).
11339atm(e12,e12_13,h,3,0.146).
11340atm(e12,e12_14,n,38,0.817).
11341atm(e12,e12_15,o,40,-0.383).
11342atm(e12,e12_16,o,40,-0.383).
11343
11344bond(e12,e12_1,e12_2,7).
11345bond(e12,e12_2,e12_3,7).
11346bond(e12,e12_3,e12_4,7).
11347bond(e12,e12_4,e12_5,7).
11348bond(e12,e12_5,e12_6,7).
11349bond(e12,e12_6,e12_1,7).
11350bond(e12,e12_1,e12_7,1).
11351bond(e12,e12_2,e12_8,1).
11352bond(e12,e12_6,e12_9,1).
11353bond(e12,e12_5,e12_10,1).
11354bond(e12,e12_10,e12_11,2).
11355bond(e12,e12_10,e12_12,2).
11356bond(e12,e12_3,e12_13,1).
11357bond(e12,e12_4,e12_14,1).
11358bond(e12,e12_14,e12_15,2).
11359bond(e12,e12_14,e12_16,2).
11360atm(e13,e13_1,c,22,-0.097).
11361atm(e13,e13_2,c,22,-0.097).
11362atm(e13,e13_3,c,22,-0.097).
11363atm(e13,e13_4,c,22,-0.097).
11364atm(e13,e13_5,c,22,-0.097).
11365atm(e13,e13_6,c,22,-0.097).
11366atm(e13,e13_7,h,3,0.163).
11367atm(e13,e13_8,h,3,0.163).
11368atm(e13,e13_9,h,3,0.163).
11369atm(e13,e13_10,n,38,0.832).
11370atm(e13,e13_11,o,40,-0.368).
11371atm(e13,e13_12,o,40,-0.367).
11372atm(e13,e13_13,h,3,0.163).
11373atm(e13,e13_14,cl,93,-0.167).
11374
11375bond(e13,e13_1,e13_2,7).
11376bond(e13,e13_2,e13_3,7).
11377bond(e13,e13_3,e13_4,7).
11378bond(e13,e13_4,e13_5,7).
11379bond(e13,e13_5,e13_6,7).
11380bond(e13,e13_6,e13_1,7).
11381bond(e13,e13_1,e13_7,1).
11382bond(e13,e13_2,e13_8,1).
11383bond(e13,e13_6,e13_9,1).
11384bond(e13,e13_5,e13_10,1).
11385bond(e13,e13_10,e13_11,2).
11386bond(e13,e13_10,e13_12,2).
11387bond(e13,e13_4,e13_13,1).
11388bond(e13,e13_14,e13_3,1).
11389atm(e14,e14_1,c,22,-0.097).
11390atm(e14,e14_2,c,22,-0.097).
11391atm(e14,e14_3,c,22,-0.097).
11392atm(e14,e14_4,c,22,-0.097).
11393atm(e14,e14_5,c,22,-0.097).
11394atm(e14,e14_6,c,22,-0.097).
11395atm(e14,e14_7,h,3,0.163).
11396atm(e14,e14_8,h,3,0.163).
11397atm(e14,e14_9,n,38,0.832).
11398atm(e14,e14_10,o,40,-0.367).
11399atm(e14,e14_11,o,40,-0.368).
11400atm(e14,e14_12,h,3,0.163).
11401atm(e14,e14_13,cl,93,-0.167).
11402atm(e14,e14_14,h,3,0.163).
11403
11404bond(e14,e14_1,e14_2,7).
11405bond(e14,e14_2,e14_3,7).
11406bond(e14,e14_3,e14_4,7).
11407bond(e14,e14_4,e14_5,7).
11408bond(e14,e14_5,e14_6,7).
11409bond(e14,e14_6,e14_1,7).
11410bond(e14,e14_1,e14_7,1).
11411bond(e14,e14_6,e14_8,1).
11412bond(e14,e14_5,e14_9,1).
11413bond(e14,e14_9,e14_10,2).
11414bond(e14,e14_9,e14_11,2).
11415bond(e14,e14_4,e14_12,1).
11416bond(e14,e14_2,e14_13,1).
11417bond(e14,e14_3,e14_14,1).
11418atm(e15,e15_1,c,22,-0.12).
11419atm(e15,e15_2,c,22,-0.12).
11420atm(e15,e15_3,c,27,0.01).
11421atm(e15,e15_4,c,27,0.01).
11422atm(e15,e15_5,c,22,-0.12).
11423atm(e15,e15_6,c,22,-0.12).
11424atm(e15,e15_7,h,3,0.141).
11425atm(e15,e15_8,h,3,0.141).
11426atm(e15,e15_9,h,3,0.141).
11427atm(e15,e15_10,h,3,0.141).
11428atm(e15,e15_11,c,22,-0.12).
11429atm(e15,e15_12,c,27,0.01).
11430atm(e15,e15_13,c,195,-0.09).
11431atm(e15,e15_14,c,22,-0.12).
11432atm(e15,e15_15,h,3,0.141).
11433atm(e15,e15_16,c,22,-0.12).
11434atm(e15,e15_17,c,22,-0.12).
11435atm(e15,e15_18,c,27,0.01).
11436atm(e15,e15_19,c,195,-0.09).
11437atm(e15,e15_20,h,3,0.14).
11438atm(e15,e15_21,h,3,0.141).
11439atm(e15,e15_22,c,22,-0.12).
11440atm(e15,e15_23,c,22,-0.12).
11441atm(e15,e15_24,c,22,-0.12).
11442atm(e15,e15_25,c,22,-0.12).
11443atm(e15,e15_26,h,3,0.14).
11444atm(e15,e15_27,h,3,0.14).
11445atm(e15,e15_28,h,3,0.14).
11446atm(e15,e15_29,h,3,0.141).
11447atm(e15,e15_30,n,38,0.811).
11448atm(e15,e15_31,o,40,-0.389).
11449atm(e15,e15_32,o,40,-0.389).
11450
11451bond(e15,e15_1,e15_2,7).
11452bond(e15,e15_2,e15_3,7).
11453bond(e15,e15_3,e15_4,7).
11454bond(e15,e15_4,e15_5,7).
11455bond(e15,e15_5,e15_6,7).
11456bond(e15,e15_6,e15_1,7).
11457bond(e15,e15_1,e15_7,1).
11458bond(e15,e15_2,e15_8,1).
11459bond(e15,e15_5,e15_9,1).
11460bond(e15,e15_6,e15_10,1).
11461bond(e15,e15_3,e15_11,7).
11462bond(e15,e15_11,e15_12,7).
11463bond(e15,e15_12,e15_13,7).
11464bond(e15,e15_13,e15_14,7).
11465bond(e15,e15_14,e15_4,7).
11466bond(e15,e15_14,e15_15,1).
11467bond(e15,e15_12,e15_16,7).
11468bond(e15,e15_16,e15_17,7).
11469bond(e15,e15_17,e15_18,7).
11470bond(e15,e15_18,e15_19,7).
11471bond(e15,e15_19,e15_13,7).
11472bond(e15,e15_16,e15_20,1).
11473bond(e15,e15_17,e15_21,1).
11474bond(e15,e15_18,e15_22,7).
11475bond(e15,e15_22,e15_23,7).
11476bond(e15,e15_23,e15_24,7).
11477bond(e15,e15_24,e15_25,7).
11478bond(e15,e15_25,e15_19,7).
11479bond(e15,e15_22,e15_26,1).
11480bond(e15,e15_23,e15_27,1).
11481bond(e15,e15_24,e15_28,1).
11482bond(e15,e15_25,e15_29,1).
11483bond(e15,e15_11,e15_30,1).
11484bond(e15,e15_30,e15_31,2).
11485bond(e15,e15_30,e15_32,2).
11486atm(e16,e16_1,c,22,-0.074).
11487atm(e16,e16_2,c,22,-0.074).
11488atm(e16,e16_3,c,22,-0.074).
11489atm(e16,e16_4,c,22,-0.074).
11490atm(e16,e16_5,c,22,-0.074).
11491atm(e16,e16_6,c,22,-0.074).
11492atm(e16,e16_7,h,3,0.187).
11493atm(e16,e16_8,h,3,0.187).
11494atm(e16,e16_9,n,38,0.857).
11495atm(e16,e16_10,o,40,-0.343).
11496atm(e16,e16_11,o,40,-0.343).
11497atm(e16,e16_12,cl,93,-0.144).
11498atm(e16,e16_13,h,3,0.187).
11499atm(e16,e16_14,cl,93,-0.144).
11500
11501bond(e16,e16_1,e16_2,7).
11502bond(e16,e16_2,e16_3,7).
11503bond(e16,e16_3,e16_4,7).
11504bond(e16,e16_4,e16_5,7).
11505bond(e16,e16_5,e16_6,7).
11506bond(e16,e16_6,e16_1,7).
11507bond(e16,e16_1,e16_7,1).
11508bond(e16,e16_6,e16_8,1).
11509bond(e16,e16_5,e16_9,1).
11510bond(e16,e16_9,e16_10,2).
11511bond(e16,e16_9,e16_11,2).
11512bond(e16,e16_2,e16_12,1).
11513bond(e16,e16_3,e16_13,1).
11514bond(e16,e16_4,e16_14,1).
11515atm(e17,e17_1,c,22,-0.125).
11516atm(e17,e17_2,c,22,-0.125).
11517atm(e17,e17_3,c,27,0.005).
11518atm(e17,e17_4,c,27,0.005).
11519atm(e17,e17_5,c,22,-0.125).
11520atm(e17,e17_6,c,22,-0.125).
11521atm(e17,e17_7,h,3,0.135).
11522atm(e17,e17_8,h,3,0.135).
11523atm(e17,e17_9,h,3,0.135).
11524atm(e17,e17_10,h,3,0.135).
11525atm(e17,e17_11,c,22,-0.125).
11526atm(e17,e17_12,c,27,0.005).
11527atm(e17,e17_13,c,27,0.005).
11528atm(e17,e17_14,c,22,-0.125).
11529atm(e17,e17_15,h,3,0.135).
11530atm(e17,e17_16,c,22,-0.125).
11531atm(e17,e17_17,c,22,-0.125).
11532atm(e17,e17_18,c,22,-0.125).
11533atm(e17,e17_19,c,22,-0.125).
11534atm(e17,e17_20,h,3,0.135).
11535atm(e17,e17_21,h,3,0.135).
11536atm(e17,e17_22,h,3,0.135).
11537atm(e17,e17_23,h,3,0.135).
11538atm(e17,e17_24,n,38,0.805).
11539atm(e17,e17_25,o,40,-0.395).
11540atm(e17,e17_26,o,40,-0.395).
11541
11542bond(e17,e17_1,e17_2,7).
11543bond(e17,e17_2,e17_3,7).
11544bond(e17,e17_3,e17_4,7).
11545bond(e17,e17_4,e17_5,7).
11546bond(e17,e17_5,e17_6,7).
11547bond(e17,e17_6,e17_1,7).
11548bond(e17,e17_1,e17_7,1).
11549bond(e17,e17_2,e17_8,1).
11550bond(e17,e17_5,e17_9,1).
11551bond(e17,e17_6,e17_10,1).
11552bond(e17,e17_3,e17_11,7).
11553bond(e17,e17_11,e17_12,7).
11554bond(e17,e17_12,e17_13,7).
11555bond(e17,e17_13,e17_14,7).
11556bond(e17,e17_14,e17_4,7).
11557bond(e17,e17_11,e17_15,1).
11558bond(e17,e17_12,e17_16,7).
11559bond(e17,e17_16,e17_17,7).
11560bond(e17,e17_17,e17_18,7).
11561bond(e17,e17_18,e17_19,7).
11562bond(e17,e17_19,e17_13,7).
11563bond(e17,e17_16,e17_20,1).
11564bond(e17,e17_17,e17_21,1).
11565bond(e17,e17_18,e17_22,1).
11566bond(e17,e17_19,e17_23,1).
11567bond(e17,e17_14,e17_24,1).
11568bond(e17,e17_24,e17_25,2).
11569bond(e17,e17_24,e17_26,2).
11570atm(e18,e18_1,c,22,-0.074).
11571atm(e18,e18_2,c,22,-0.074).
11572atm(e18,e18_3,c,22,-0.074).
11573atm(e18,e18_4,c,22,-0.074).
11574atm(e18,e18_5,c,22,-0.074).
11575atm(e18,e18_6,c,22,-0.074).
11576atm(e18,e18_7,h,3,0.187).
11577atm(e18,e18_8,h,3,0.187).
11578atm(e18,e18_9,n,38,0.857).
11579atm(e18,e18_10,o,40,-0.343).
11580atm(e18,e18_11,o,40,-0.343).
11581atm(e18,e18_12,cl,93,-0.144).
11582atm(e18,e18_13,h,3,0.187).
11583atm(e18,e18_14,cl,93,-0.144).
11584
11585bond(e18,e18_1,e18_2,7).
11586bond(e18,e18_2,e18_3,7).
11587bond(e18,e18_3,e18_4,7).
11588bond(e18,e18_4,e18_5,7).
11589bond(e18,e18_5,e18_6,7).
11590bond(e18,e18_6,e18_1,7).
11591bond(e18,e18_1,e18_7,1).
11592bond(e18,e18_6,e18_8,1).
11593bond(e18,e18_5,e18_9,1).
11594bond(e18,e18_9,e18_10,2).
11595bond(e18,e18_9,e18_11,2).
11596bond(e18,e18_2,e18_12,1).
11597bond(e18,e18_4,e18_13,1).
11598bond(e18,e18_3,e18_14,1).
11599atm(e19,e19_1,c,22,-0.108).
11600atm(e19,e19_2,c,22,-0.108).
11601atm(e19,e19_3,c,27,0.022).
11602atm(e19,e19_4,c,27,0.022).
11603atm(e19,e19_5,c,22,-0.108).
11604atm(e19,e19_6,c,22,-0.108).
11605atm(e19,e19_7,c,22,-0.108).
11606atm(e19,e19_8,c,22,0.122).
11607atm(e19,e19_9,c,22,-0.108).
11608atm(e19,e19_10,c,22,-0.108).
11609atm(e19,e19_11,c,16,-0.178).
11610atm(e19,e19_12,c,16,-0.178).
11611atm(e19,e19_13,c,10,0.122).
11612atm(e19,e19_14,c,10,0.022).
11613atm(e19,e19_15,n,38,0.822).
11614atm(e19,e19_16,o,40,-0.378).
11615atm(e19,e19_17,o,40,-0.378).
11616atm(e19,e19_18,h,3,0.152).
11617atm(e19,e19_19,h,3,0.152).
11618atm(e19,e19_20,h,3,0.152).
11619atm(e19,e19_21,h,3,0.152).
11620atm(e19,e19_22,h,3,0.152).
11621atm(e19,e19_23,h,3,0.122).
11622atm(e19,e19_24,h,3,0.122).
11623atm(e19,e19_25,o,45,-0.628).
11624atm(e19,e19_26,h,3,0.072).
11625atm(e19,e19_27,o,45,-0.628).
11626atm(e19,e19_28,h,3,0.072).
11627atm(e19,e19_29,h,8,0.422).
11628atm(e19,e19_30,h,8,0.422).
11629
11630bond(e19,e19_1,e19_2,7).
11631bond(e19,e19_2,e19_3,7).
11632bond(e19,e19_3,e19_4,7).
11633bond(e19,e19_4,e19_5,7).
11634bond(e19,e19_5,e19_6,7).
11635bond(e19,e19_6,e19_1,7).
11636bond(e19,e19_3,e19_7,7).
11637bond(e19,e19_7,e19_8,7).
11638bond(e19,e19_8,e19_9,7).
11639bond(e19,e19_9,e19_10,7).
11640bond(e19,e19_10,e19_4,7).
11641bond(e19,e19_8,e19_11,1).
11642bond(e19,e19_11,e19_12,2).
11643bond(e19,e19_12,e19_13,1).
11644bond(e19,e19_13,e19_14,1).
11645bond(e19,e19_14,e19_9,1).
11646bond(e19,e19_10,e19_15,1).
11647bond(e19,e19_15,e19_16,2).
11648bond(e19,e19_15,e19_17,2).
11649bond(e19,e19_1,e19_18,1).
11650bond(e19,e19_2,e19_19,1).
11651bond(e19,e19_5,e19_20,1).
11652bond(e19,e19_6,e19_21,1).
11653bond(e19,e19_7,e19_22,1).
11654bond(e19,e19_11,e19_23,1).
11655bond(e19,e19_12,e19_24,1).
11656bond(e19,e19_14,e19_25,5).
11657bond(e19,e19_14,e19_26,1).
11658bond(e19,e19_13,e19_27,4).
11659bond(e19,e19_13,e19_28,1).
11660bond(e19,e19_25,e19_29,1).
11661bond(e19,e19_27,e19_30,1).
11662atm(e2,e2_1,c,22,-0.115).
11663atm(e2,e2_2,c,22,-0.115).
11664atm(e2,e2_3,c,27,0.015).
11665atm(e2,e2_4,c,27,-0.085).
11666atm(e2,e2_5,c,22,-0.115).
11667atm(e2,e2_6,c,22,-0.115).
11668atm(e2,e2_7,c,22,-0.115).
11669atm(e2,e2_8,c,22,0.015).
11670atm(e2,e2_9,c,195,-0.085).
11671atm(e2,e2_10,c,195,-0.085).
11672atm(e2,e2_11,c,10,-0.085).
11673atm(e2,e2_12,c,10,-0.085).
11674atm(e2,e2_13,c,22,0.015).
11675atm(e2,e2_14,c,27,-0.085).
11676atm(e2,e2_15,c,27,0.015).
11677atm(e2,e2_16,c,22,-0.115).
11678atm(e2,e2_17,c,22,-0.115).
11679atm(e2,e2_18,c,22,-0.115).
11680atm(e2,e2_19,c,22,-0.115).
11681atm(e2,e2_20,c,22,-0.115).
11682atm(e2,e2_21,n,38,0.814).
11683atm(e2,e2_22,o,40,-0.386).
11684atm(e2,e2_23,o,40,-0.386).
11685atm(e2,e2_24,h,3,0.144).
11686atm(e2,e2_25,h,3,0.144).
11687atm(e2,e2_26,h,3,0.144).
11688atm(e2,e2_27,h,3,0.144).
11689atm(e2,e2_28,h,3,0.144).
11690atm(e2,e2_29,h,3,0.145).
11691atm(e2,e2_30,h,3,0.145).
11692atm(e2,e2_31,h,3,0.144).
11693atm(e2,e2_32,h,3,0.144).
11694atm(e2,e2_33,h,3,0.065).
11695atm(e2,e2_34,h,3,0.065).
11696atm(e2,e2_35,h,3,0.065).
11697atm(e2,e2_36,h,3,0.065).
11698
11699bond(e2,e2_1,e2_2,7).
11700bond(e2,e2_2,e2_3,7).
11701bond(e2,e2_3,e2_4,7).
11702bond(e2,e2_4,e2_5,7).
11703bond(e2,e2_5,e2_6,7).
11704bond(e2,e2_6,e2_1,7).
11705bond(e2,e2_3,e2_7,7).
11706bond(e2,e2_7,e2_8,7).
11707bond(e2,e2_8,e2_9,7).
11708bond(e2,e2_9,e2_10,7).
11709bond(e2,e2_10,e2_4,7).
11710bond(e2,e2_8,e2_11,1).
11711bond(e2,e2_11,e2_12,1).
11712bond(e2,e2_12,e2_13,1).
11713bond(e2,e2_13,e2_14,7).
11714bond(e2,e2_14,e2_9,7).
11715bond(e2,e2_14,e2_15,7).
11716bond(e2,e2_15,e2_16,7).
11717bond(e2,e2_16,e2_17,7).
11718bond(e2,e2_17,e2_10,7).
11719bond(e2,e2_13,e2_18,7).
11720bond(e2,e2_18,e2_19,7).
11721bond(e2,e2_19,e2_20,7).
11722bond(e2,e2_20,e2_15,7).
11723bond(e2,e2_7,e2_21,1).
11724bond(e2,e2_21,e2_22,2).
11725bond(e2,e2_21,e2_23,2).
11726bond(e2,e2_1,e2_24,1).
11727bond(e2,e2_2,e2_25,1).
11728bond(e2,e2_5,e2_26,1).
11729bond(e2,e2_6,e2_27,1).
11730bond(e2,e2_16,e2_28,1).
11731bond(e2,e2_17,e2_29,1).
11732bond(e2,e2_18,e2_30,1).
11733bond(e2,e2_19,e2_31,1).
11734bond(e2,e2_20,e2_32,1).
11735bond(e2,e2_11,e2_33,1).
11736bond(e2,e2_11,e2_34,1).
11737bond(e2,e2_12,e2_35,1).
11738bond(e2,e2_12,e2_36,1).
11739atm(e20,e20_1,c,22,-0.108).
11740atm(e20,e20_2,c,22,-0.108).
11741atm(e20,e20_3,c,27,0.022).
11742atm(e20,e20_4,c,27,0.022).
11743atm(e20,e20_5,c,22,-0.108).
11744atm(e20,e20_6,c,22,-0.108).
11745atm(e20,e20_7,c,22,-0.108).
11746atm(e20,e20_8,c,22,-0.108).
11747atm(e20,e20_9,c,22,0.122).
11748atm(e20,e20_10,c,22,-0.108).
11749atm(e20,e20_11,c,10,0.022).
11750atm(e20,e20_12,c,10,0.122).
11751atm(e20,e20_13,c,16,-0.178).
11752atm(e20,e20_14,c,16,-0.178).
11753atm(e20,e20_15,n,38,0.822).
11754atm(e20,e20_16,o,40,-0.378).
11755atm(e20,e20_17,o,40,-0.378).
11756atm(e20,e20_18,h,3,0.152).
11757atm(e20,e20_19,h,3,0.152).
11758atm(e20,e20_20,h,3,0.152).
11759atm(e20,e20_21,h,3,0.152).
11760atm(e20,e20_22,h,3,0.152).
11761atm(e20,e20_23,h,3,0.122).
11762atm(e20,e20_24,h,3,0.122).
11763atm(e20,e20_25,o,45,-0.628).
11764atm(e20,e20_26,h,3,0.072).
11765atm(e20,e20_27,o,45,-0.628).
11766atm(e20,e20_28,h,3,0.072).
11767atm(e20,e20_29,h,8,0.422).
11768atm(e20,e20_30,h,8,0.422).
11769
11770bond(e20,e20_1,e20_2,7).
11771bond(e20,e20_2,e20_3,7).
11772bond(e20,e20_3,e20_4,7).
11773bond(e20,e20_4,e20_5,7).
11774bond(e20,e20_5,e20_6,7).
11775bond(e20,e20_6,e20_1,7).
11776bond(e20,e20_3,e20_7,7).
11777bond(e20,e20_7,e20_8,7).
11778bond(e20,e20_8,e20_9,7).
11779bond(e20,e20_9,e20_10,7).
11780bond(e20,e20_10,e20_4,7).
11781bond(e20,e20_8,e20_11,1).
11782bond(e20,e20_11,e20_12,1).
11783bond(e20,e20_12,e20_13,1).
11784bond(e20,e20_13,e20_14,2).
11785bond(e20,e20_14,e20_9,1).
11786bond(e20,e20_10,e20_15,1).
11787bond(e20,e20_15,e20_16,2).
11788bond(e20,e20_15,e20_17,2).
11789bond(e20,e20_1,e20_18,1).
11790bond(e20,e20_2,e20_19,1).
11791bond(e20,e20_5,e20_20,1).
11792bond(e20,e20_6,e20_21,1).
11793bond(e20,e20_7,e20_22,1).
11794bond(e20,e20_14,e20_23,1).
11795bond(e20,e20_13,e20_24,1).
11796bond(e20,e20_12,e20_25,5).
11797bond(e20,e20_12,e20_26,1).
11798bond(e20,e20_11,e20_27,4).
11799bond(e20,e20_11,e20_28,1).
11800bond(e20,e20_27,e20_29,1).
11801bond(e20,e20_25,e20_30,1).
11802atm(e21,e21_1,c,10,-0.091).
11803atm(e21,e21_2,c,10,-0.091).
11804atm(e21,e21_3,c,22,0.009).
11805atm(e21,e21_4,c,22,0.009).
11806atm(e21,e21_5,c,10,-0.091).
11807atm(e21,e21_6,c,10,-0.091).
11808atm(e21,e21_7,c,22,-0.122).
11809atm(e21,e21_8,c,27,0.009).
11810atm(e21,e21_9,c,27,-0.091).
11811atm(e21,e21_10,c,27,0.009).
11812atm(e21,e21_11,c,22,-0.121).
11813atm(e21,e21_12,c,22,-0.122).
11814atm(e21,e21_13,c,27,0.009).
11815atm(e21,e21_14,c,27,-0.091).
11816atm(e21,e21_15,c,27,0.009).
11817atm(e21,e21_16,c,22,-0.121).
11818atm(e21,e21_17,c,22,-0.121).
11819atm(e21,e21_18,c,22,-0.121).
11820atm(e21,e21_19,c,22,-0.121).
11821atm(e21,e21_20,c,22,-0.121).
11822atm(e21,e21_21,n,38,0.808).
11823atm(e21,e21_22,o,40,-0.392).
11824atm(e21,e21_23,o,40,-0.392).
11825atm(e21,e21_24,h,3,0.059).
11826atm(e21,e21_25,h,3,0.059).
11827atm(e21,e21_26,h,3,0.059).
11828atm(e21,e21_27,h,3,0.059).
11829atm(e21,e21_28,h,3,0.138).
11830atm(e21,e21_29,h,3,0.138).
11831atm(e21,e21_30,h,3,0.138).
11832atm(e21,e21_31,h,3,0.138).
11833atm(e21,e21_32,h,3,0.138).
11834atm(e21,e21_33,h,3,0.138).
11835atm(e21,e21_34,h,3,0.138).
11836atm(e21,e21_35,h,3,0.059).
11837atm(e21,e21_36,h,3,0.059).
11838atm(e21,e21_37,h,3,0.059).
11839atm(e21,e21_38,h,3,0.059).
11840
11841bond(e21,e21_1,e21_2,1).
11842bond(e21,e21_2,e21_3,1).
11843bond(e21,e21_3,e21_4,7).
11844bond(e21,e21_4,e21_5,1).
11845bond(e21,e21_5,e21_6,1).
11846bond(e21,e21_6,e21_1,1).
11847bond(e21,e21_3,e21_7,7).
11848bond(e21,e21_7,e21_8,7).
11849bond(e21,e21_8,e21_9,7).
11850bond(e21,e21_9,e21_10,7).
11851bond(e21,e21_10,e21_4,7).
11852bond(e21,e21_8,e21_11,7).
11853bond(e21,e21_11,e21_12,7).
11854bond(e21,e21_12,e21_13,7).
11855bond(e21,e21_13,e21_14,7).
11856bond(e21,e21_14,e21_9,7).
11857bond(e21,e21_14,e21_15,7).
11858bond(e21,e21_15,e21_16,7).
11859bond(e21,e21_16,e21_17,7).
11860bond(e21,e21_17,e21_10,7).
11861bond(e21,e21_13,e21_18,7).
11862bond(e21,e21_18,e21_19,7).
11863bond(e21,e21_19,e21_20,7).
11864bond(e21,e21_20,e21_15,7).
11865bond(e21,e21_7,e21_21,1).
11866bond(e21,e21_21,e21_22,2).
11867bond(e21,e21_21,e21_23,2).
11868bond(e21,e21_5,e21_24,1).
11869bond(e21,e21_5,e21_25,1).
11870bond(e21,e21_6,e21_26,1).
11871bond(e21,e21_6,e21_27,1).
11872bond(e21,e21_11,e21_28,1).
11873bond(e21,e21_12,e21_29,1).
11874bond(e21,e21_16,e21_30,1).
11875bond(e21,e21_17,e21_31,1).
11876bond(e21,e21_18,e21_32,1).
11877bond(e21,e21_19,e21_33,1).
11878bond(e21,e21_20,e21_34,1).
11879bond(e21,e21_1,e21_35,1).
11880bond(e21,e21_1,e21_36,1).
11881bond(e21,e21_2,e21_37,1).
11882bond(e21,e21_2,e21_38,1).
11883atm(e22,e22_1,c,10,0.124).
11884atm(e22,e22_2,c,10,0.024).
11885atm(e22,e22_3,c,22,-0.106).
11886atm(e22,e22_4,c,22,0.124).
11887atm(e22,e22_5,c,16,-0.176).
11888atm(e22,e22_6,c,16,-0.176).
11889atm(e22,e22_7,c,22,-0.106).
11890atm(e22,e22_8,c,27,0.024).
11891atm(e22,e22_9,c,195,-0.076).
11892atm(e22,e22_10,c,22,-0.106).
11893atm(e22,e22_11,c,22,-0.106).
11894atm(e22,e22_12,c,22,-0.106).
11895atm(e22,e22_13,c,27,0.024).
11896atm(e22,e22_14,c,195,-0.076).
11897atm(e22,e22_15,c,22,-0.106).
11898atm(e22,e22_16,c,22,-0.106).
11899atm(e22,e22_17,c,22,-0.106).
11900atm(e22,e22_18,c,22,-0.106).
11901atm(e22,e22_19,n,38,0.823).
11902atm(e22,e22_20,o,40,-0.376).
11903atm(e22,e22_21,o,40,-0.376).
11904atm(e22,e22_22,h,3,0.154).
11905atm(e22,e22_23,h,3,0.154).
11906atm(e22,e22_24,h,3,0.154).
11907atm(e22,e22_25,h,3,0.154).
11908atm(e22,e22_26,h,3,0.154).
11909atm(e22,e22_27,h,3,0.154).
11910atm(e22,e22_28,h,3,0.154).
11911atm(e22,e22_29,h,3,0.124).
11912atm(e22,e22_30,h,3,0.124).
11913atm(e22,e22_31,o,45,-0.627).
11914atm(e22,e22_32,h,3,0.074).
11915atm(e22,e22_33,o,45,-0.627).
11916atm(e22,e22_34,h,3,0.074).
11917atm(e22,e22_35,h,8,0.423).
11918atm(e22,e22_36,h,8,0.424).
11919
11920bond(e22,e22_1,e22_2,1).
11921bond(e22,e22_2,e22_3,1).
11922bond(e22,e22_3,e22_4,7).
11923bond(e22,e22_4,e22_5,1).
11924bond(e22,e22_5,e22_6,2).
11925bond(e22,e22_6,e22_1,1).
11926bond(e22,e22_3,e22_7,7).
11927bond(e22,e22_7,e22_8,7).
11928bond(e22,e22_8,e22_9,7).
11929bond(e22,e22_9,e22_10,7).
11930bond(e22,e22_10,e22_4,7).
11931bond(e22,e22_8,e22_11,7).
11932bond(e22,e22_11,e22_12,7).
11933bond(e22,e22_12,e22_13,7).
11934bond(e22,e22_13,e22_14,7).
11935bond(e22,e22_14,e22_9,7).
11936bond(e22,e22_13,e22_15,7).
11937bond(e22,e22_15,e22_16,7).
11938bond(e22,e22_16,e22_17,7).
11939bond(e22,e22_17,e22_18,7).
11940bond(e22,e22_18,e22_14,7).
11941bond(e22,e22_7,e22_19,1).
11942bond(e22,e22_19,e22_20,2).
11943bond(e22,e22_19,e22_21,2).
11944bond(e22,e22_10,e22_22,1).
11945bond(e22,e22_11,e22_23,1).
11946bond(e22,e22_12,e22_24,1).
11947bond(e22,e22_15,e22_25,1).
11948bond(e22,e22_16,e22_26,1).
11949bond(e22,e22_17,e22_27,1).
11950bond(e22,e22_18,e22_28,1).
11951bond(e22,e22_5,e22_29,1).
11952bond(e22,e22_6,e22_30,1).
11953bond(e22,e22_1,e22_31,5).
11954bond(e22,e22_1,e22_32,1).
11955bond(e22,e22_2,e22_33,4).
11956bond(e22,e22_2,e22_34,1).
11957bond(e22,e22_31,e22_35,1).
11958bond(e22,e22_33,e22_36,1).
11959atm(e23,e23_1,c,22,-0.112).
11960atm(e23,e23_2,c,22,-0.112).
11961atm(e23,e23_3,c,27,0.018).
11962atm(e23,e23_4,c,27,0.018).
11963atm(e23,e23_5,c,22,-0.112).
11964atm(e23,e23_6,c,22,-0.112).
11965atm(e23,e23_7,c,22,-0.112).
11966atm(e23,e23_8,c,27,0.018).
11967atm(e23,e23_9,c,27,0.018).
11968atm(e23,e23_10,c,22,-0.112).
11969atm(e23,e23_11,c,22,-0.112).
11970atm(e23,e23_12,c,22,-0.112).
11971atm(e23,e23_13,c,22,-0.112).
11972atm(e23,e23_14,c,22,0.118).
11973atm(e23,e23_15,c,10,0.018).
11974atm(e23,e23_16,c,10,0.118).
11975atm(e23,e23_17,c,16,-0.181).
11976atm(e23,e23_18,c,16,-0.181).
11977atm(e23,e23_19,n,38,0.819).
11978atm(e23,e23_20,o,40,-0.381).
11979atm(e23,e23_21,o,40,-0.381).
11980atm(e23,e23_22,h,3,0.148).
11981atm(e23,e23_23,h,3,0.148).
11982atm(e23,e23_24,h,3,0.149).
11983atm(e23,e23_25,h,3,0.149).
11984atm(e23,e23_26,h,3,0.149).
11985atm(e23,e23_27,h,3,0.148).
11986atm(e23,e23_28,h,3,0.148).
11987atm(e23,e23_29,o,45,-0.631).
11988atm(e23,e23_30,h,3,0.068).
11989atm(e23,e23_31,o,45,-0.631).
11990atm(e23,e23_32,h,3,0.068).
11991atm(e23,e23_33,h,8,0.419).
11992atm(e23,e23_34,h,8,0.419).
11993atm(e23,e23_35,h,3,0.118).
11994atm(e23,e23_36,h,3,0.118).
11995
11996bond(e23,e23_1,e23_2,7).
11997bond(e23,e23_2,e23_3,7).
11998bond(e23,e23_3,e23_4,7).
11999bond(e23,e23_4,e23_5,7).
12000bond(e23,e23_5,e23_6,7).
12001bond(e23,e23_6,e23_1,7).
12002bond(e23,e23_3,e23_7,7).
12003bond(e23,e23_7,e23_8,7).
12004bond(e23,e23_8,e23_9,7).
12005bond(e23,e23_9,e23_10,7).
12006bond(e23,e23_10,e23_4,7).
12007bond(e23,e23_8,e23_11,7).
12008bond(e23,e23_11,e23_12,7).
12009bond(e23,e23_12,e23_13,7).
12010bond(e23,e23_13,e23_14,7).
12011bond(e23,e23_14,e23_9,7).
12012bond(e23,e23_13,e23_15,1).
12013bond(e23,e23_15,e23_16,1).
12014bond(e23,e23_16,e23_17,1).
12015bond(e23,e23_17,e23_18,2).
12016bond(e23,e23_18,e23_14,1).
12017bond(e23,e23_7,e23_19,1).
12018bond(e23,e23_19,e23_20,2).
12019bond(e23,e23_19,e23_21,2).
12020bond(e23,e23_1,e23_22,1).
12021bond(e23,e23_2,e23_23,1).
12022bond(e23,e23_5,e23_24,1).
12023bond(e23,e23_6,e23_25,1).
12024bond(e23,e23_10,e23_26,1).
12025bond(e23,e23_11,e23_27,1).
12026bond(e23,e23_12,e23_28,1).
12027bond(e23,e23_16,e23_29,5).
12028bond(e23,e23_16,e23_30,1).
12029bond(e23,e23_15,e23_31,4).
12030bond(e23,e23_15,e23_32,1).
12031bond(e23,e23_29,e23_33,1).
12032bond(e23,e23_31,e23_34,1).
12033bond(e23,e23_17,e23_35,1).
12034bond(e23,e23_18,e23_36,1).
12035atm(e24,e24_1,c,194,0.004).
12036atm(e24,e24_2,c,194,0.004).
12037atm(e24,e24_3,c,29,0.004).
12038atm(e24,e24_4,c,194,0.004).
12039atm(e24,e24_5,c,29,0.004).
12040atm(e24,e24_6,c,29,0.004).
12041atm(e24,e24_7,c,22,-0.126).
12042atm(e24,e24_8,c,22,-0.126).
12043atm(e24,e24_9,c,22,-0.126).
12044atm(e24,e24_10,c,22,-0.126).
12045atm(e24,e24_11,h,3,0.134).
12046atm(e24,e24_12,h,3,0.134).
12047atm(e24,e24_13,h,3,0.134).
12048atm(e24,e24_14,c,22,-0.126).
12049atm(e24,e24_15,c,22,-0.126).
12050atm(e24,e24_16,c,22,-0.126).
12051atm(e24,e24_17,c,22,-0.126).
12052atm(e24,e24_18,h,3,0.134).
12053atm(e24,e24_19,h,3,0.134).
12054atm(e24,e24_20,h,3,0.134).
12055atm(e24,e24_21,h,3,0.134).
12056atm(e24,e24_22,c,22,-0.126).
12057atm(e24,e24_23,c,22,-0.126).
12058atm(e24,e24_24,c,22,-0.126).
12059atm(e24,e24_25,c,22,-0.126).
12060atm(e24,e24_26,h,3,0.134).
12061atm(e24,e24_27,h,3,0.134).
12062atm(e24,e24_28,h,3,0.134).
12063atm(e24,e24_29,h,3,0.134).
12064atm(e24,e24_30,n,38,0.805).
12065atm(e24,e24_31,o,40,-0.395).
12066atm(e24,e24_32,o,40,-0.396).
12067
12068bond(e24,e24_1,e24_2,1).
12069bond(e24,e24_2,e24_3,7).
12070bond(e24,e24_3,e24_4,1).
12071bond(e24,e24_4,e24_5,7).
12072bond(e24,e24_5,e24_6,1).
12073bond(e24,e24_6,e24_1,7).
12074bond(e24,e24_4,e24_7,7).
12075bond(e24,e24_7,e24_8,7).
12076bond(e24,e24_8,e24_9,7).
12077bond(e24,e24_9,e24_10,7).
12078bond(e24,e24_10,e24_5,7).
12079bond(e24,e24_7,e24_11,1).
12080bond(e24,e24_8,e24_12,1).
12081bond(e24,e24_9,e24_13,1).
12082bond(e24,e24_6,e24_14,7).
12083bond(e24,e24_14,e24_15,7).
12084bond(e24,e24_15,e24_16,7).
12085bond(e24,e24_16,e24_17,7).
12086bond(e24,e24_17,e24_1,7).
12087bond(e24,e24_14,e24_18,1).
12088bond(e24,e24_15,e24_19,1).
12089bond(e24,e24_16,e24_20,1).
12090bond(e24,e24_17,e24_21,1).
12091bond(e24,e24_2,e24_22,7).
12092bond(e24,e24_22,e24_23,7).
12093bond(e24,e24_23,e24_24,7).
12094bond(e24,e24_24,e24_25,7).
12095bond(e24,e24_25,e24_3,7).
12096bond(e24,e24_22,e24_26,1).
12097bond(e24,e24_23,e24_27,1).
12098bond(e24,e24_24,e24_28,1).
12099bond(e24,e24_25,e24_29,1).
12100bond(e24,e24_10,e24_30,1).
12101bond(e24,e24_30,e24_31,2).
12102bond(e24,e24_30,e24_32,2).
12103atm(e25,e25_1,c,10,-0.083).
12104atm(e25,e25_2,c,10,0.017).
12105atm(e25,e25_3,c,22,-0.113).
12106atm(e25,e25_4,c,22,0.017).
12107atm(e25,e25_5,c,10,-0.083).
12108atm(e25,e25_6,c,10,-0.083).
12109atm(e25,e25_7,c,22,-0.113).
12110atm(e25,e25_8,c,27,0.017).
12111atm(e25,e25_9,c,27,-0.083).
12112atm(e25,e25_10,c,27,0.017).
12113atm(e25,e25_11,c,22,-0.113).
12114atm(e25,e25_12,c,22,-0.113).
12115atm(e25,e25_13,c,27,0.017).
12116atm(e25,e25_14,c,27,-0.083).
12117atm(e25,e25_15,c,27,0.017).
12118atm(e25,e25_16,c,22,-0.113).
12119atm(e25,e25_17,c,22,-0.113).
12120atm(e25,e25_18,c,22,-0.113).
12121atm(e25,e25_19,c,22,-0.113).
12122atm(e25,e25_20,c,22,-0.113).
12123atm(e25,e25_21,n,38,0.816).
12124atm(e25,e25_22,o,40,-0.383).
12125atm(e25,e25_23,o,40,-0.383).
12126atm(e25,e25_24,h,3,0.067).
12127atm(e25,e25_25,h,3,0.067).
12128atm(e25,e25_26,h,3,0.067).
12129atm(e25,e25_27,h,3,0.067).
12130atm(e25,e25_28,h,3,0.147).
12131atm(e25,e25_29,h,3,0.147).
12132atm(e25,e25_30,h,3,0.147).
12133atm(e25,e25_31,h,3,0.147).
12134atm(e25,e25_32,h,3,0.147).
12135atm(e25,e25_33,h,3,0.147).
12136atm(e25,e25_34,h,3,0.147).
12137atm(e25,e25_35,h,3,0.067).
12138atm(e25,e25_36,h,3,0.067).
12139atm(e25,e25_37,o,45,-0.634).
12140atm(e25,e25_38,h,3,0.067).
12141atm(e25,e25_39,h,8,0.416).
12142
12143bond(e25,e25_1,e25_2,1).
12144bond(e25,e25_2,e25_3,1).
12145bond(e25,e25_3,e25_4,7).
12146bond(e25,e25_4,e25_5,1).
12147bond(e25,e25_5,e25_6,1).
12148bond(e25,e25_6,e25_1,1).
12149bond(e25,e25_3,e25_7,7).
12150bond(e25,e25_7,e25_8,7).
12151bond(e25,e25_8,e25_9,7).
12152bond(e25,e25_9,e25_10,7).
12153bond(e25,e25_10,e25_4,7).
12154bond(e25,e25_8,e25_11,7).
12155bond(e25,e25_11,e25_12,7).
12156bond(e25,e25_12,e25_13,7).
12157bond(e25,e25_13,e25_14,7).
12158bond(e25,e25_14,e25_9,7).
12159bond(e25,e25_14,e25_15,7).
12160bond(e25,e25_15,e25_16,7).
12161bond(e25,e25_16,e25_17,7).
12162bond(e25,e25_17,e25_10,7).
12163bond(e25,e25_13,e25_18,7).
12164bond(e25,e25_18,e25_19,7).
12165bond(e25,e25_19,e25_20,7).
12166bond(e25,e25_20,e25_15,7).
12167bond(e25,e25_7,e25_21,1).
12168bond(e25,e25_21,e25_22,2).
12169bond(e25,e25_21,e25_23,2).
12170bond(e25,e25_5,e25_24,1).
12171bond(e25,e25_5,e25_25,1).
12172bond(e25,e25_6,e25_26,1).
12173bond(e25,e25_6,e25_27,1).
12174bond(e25,e25_11,e25_28,1).
12175bond(e25,e25_12,e25_29,1).
12176bond(e25,e25_16,e25_30,1).
12177bond(e25,e25_17,e25_31,1).
12178bond(e25,e25_18,e25_32,1).
12179bond(e25,e25_19,e25_33,1).
12180bond(e25,e25_20,e25_34,1).
12181bond(e25,e25_1,e25_35,1).
12182bond(e25,e25_1,e25_36,1).
12183bond(e25,e25_2,e25_37,1).
12184bond(e25,e25_2,e25_38,1).
12185bond(e25,e25_37,e25_39,1).
12186atm(e26,e26_1,c,22,-0.12).
12187atm(e26,e26_2,c,22,-0.12).
12188atm(e26,e26_3,c,27,0.01).
12189atm(e26,e26_4,c,27,0.01).
12190atm(e26,e26_5,c,22,0.26).
12191atm(e26,e26_6,c,22,-0.12).
12192atm(e26,e26_7,c,22,-0.12).
12193atm(e26,e26_8,c,27,0.01).
12194atm(e26,e26_9,c,195,-0.09).
12195atm(e26,e26_10,c,22,-0.12).
12196atm(e26,e26_11,c,22,-0.12).
12197atm(e26,e26_12,c,22,-0.12).
12198atm(e26,e26_13,c,27,0.01).
12199atm(e26,e26_14,c,195,-0.09).
12200atm(e26,e26_15,c,22,-0.12).
12201atm(e26,e26_16,c,22,-0.12).
12202atm(e26,e26_17,c,22,-0.12).
12203atm(e26,e26_18,c,22,-0.12).
12204atm(e26,e26_19,o,45,-0.64).
12205atm(e26,e26_20,h,3,0.14).
12206atm(e26,e26_21,h,3,0.14).
12207atm(e26,e26_22,h,3,0.14).
12208atm(e26,e26_23,h,3,0.14).
12209atm(e26,e26_24,h,3,0.14).
12210atm(e26,e26_25,h,3,0.14).
12211atm(e26,e26_26,h,3,0.14).
12212atm(e26,e26_27,h,3,0.14).
12213atm(e26,e26_28,h,3,0.14).
12214atm(e26,e26_29,h,3,0.14).
12215atm(e26,e26_30,h,8,0.41).
12216atm(e26,e26_31,n,38,0.81).
12217atm(e26,e26_32,o,40,-0.39).
12218atm(e26,e26_33,o,40,-0.39).
12219
12220bond(e26,e26_1,e26_2,7).
12221bond(e26,e26_2,e26_3,7).
12222bond(e26,e26_3,e26_4,7).
12223bond(e26,e26_4,e26_5,7).
12224bond(e26,e26_5,e26_6,7).
12225bond(e26,e26_6,e26_1,7).
12226bond(e26,e26_3,e26_7,7).
12227bond(e26,e26_7,e26_8,7).
12228bond(e26,e26_8,e26_9,7).
12229bond(e26,e26_9,e26_10,7).
12230bond(e26,e26_10,e26_4,7).
12231bond(e26,e26_8,e26_11,7).
12232bond(e26,e26_11,e26_12,7).
12233bond(e26,e26_12,e26_13,7).
12234bond(e26,e26_13,e26_14,7).
12235bond(e26,e26_14,e26_9,7).
12236bond(e26,e26_13,e26_15,7).
12237bond(e26,e26_15,e26_16,7).
12238bond(e26,e26_16,e26_17,7).
12239bond(e26,e26_17,e26_18,7).
12240bond(e26,e26_18,e26_14,7).
12241bond(e26,e26_5,e26_19,1).
12242bond(e26,e26_1,e26_20,1).
12243bond(e26,e26_2,e26_21,1).
12244bond(e26,e26_6,e26_22,1).
12245bond(e26,e26_10,e26_23,1).
12246bond(e26,e26_11,e26_24,1).
12247bond(e26,e26_12,e26_25,1).
12248bond(e26,e26_15,e26_26,1).
12249bond(e26,e26_16,e26_27,1).
12250bond(e26,e26_17,e26_28,1).
12251bond(e26,e26_18,e26_29,1).
12252bond(e26,e26_19,e26_30,1).
12253bond(e26,e26_7,e26_31,1).
12254bond(e26,e26_31,e26_32,2).
12255bond(e26,e26_31,e26_33,2).
12256atm(e27,e27_1,c,22,-0.12).
12257atm(e27,e27_2,c,22,-0.12).
12258atm(e27,e27_3,c,29,0.01).
12259atm(e27,e27_4,c,27,-0.09).
12260atm(e27,e27_5,c,27,0.01).
12261atm(e27,e27_6,c,22,-0.12).
12262atm(e27,e27_7,h,3,0.139).
12263atm(e27,e27_8,h,3,0.139).
12264atm(e27,e27_9,h,3,0.139).
12265atm(e27,e27_10,c,29,0.01).
12266atm(e27,e27_11,c,22,-0.12).
12267atm(e27,e27_12,c,22,-0.12).
12268atm(e27,e27_13,c,22,-0.12).
12269atm(e27,e27_14,h,3,0.14).
12270atm(e27,e27_15,h,3,0.139).
12271atm(e27,e27_16,h,3,0.139).
12272atm(e27,e27_17,c,29,0.01).
12273atm(e27,e27_18,c,27,-0.09).
12274atm(e27,e27_19,c,29,0.01).
12275atm(e27,e27_20,c,27,0.01).
12276atm(e27,e27_21,c,22,-0.12).
12277atm(e27,e27_22,c,22,-0.12).
12278atm(e27,e27_23,c,22,-0.12).
12279atm(e27,e27_24,h,3,0.14).
12280atm(e27,e27_25,h,3,0.14).
12281atm(e27,e27_26,h,3,0.139).
12282atm(e27,e27_27,c,22,-0.12).
12283atm(e27,e27_28,c,22,-0.12).
12284atm(e27,e27_29,c,22,-0.12).
12285atm(e27,e27_30,h,3,0.14).
12286atm(e27,e27_31,h,3,0.139).
12287atm(e27,e27_32,n,38,0.809).
12288atm(e27,e27_33,o,40,-0.391).
12289atm(e27,e27_34,o,40,-0.391).
12290
12291bond(e27,e27_1,e27_2,7).
12292bond(e27,e27_2,e27_3,7).
12293bond(e27,e27_3,e27_4,7).
12294bond(e27,e27_4,e27_5,7).
12295bond(e27,e27_5,e27_6,7).
12296bond(e27,e27_6,e27_1,7).
12297bond(e27,e27_1,e27_7,1).
12298bond(e27,e27_2,e27_8,1).
12299bond(e27,e27_6,e27_9,1).
12300bond(e27,e27_4,e27_10,7).
12301bond(e27,e27_10,e27_11,7).
12302bond(e27,e27_11,e27_12,7).
12303bond(e27,e27_12,e27_13,7).
12304bond(e27,e27_13,e27_5,7).
12305bond(e27,e27_11,e27_14,1).
12306bond(e27,e27_12,e27_15,1).
12307bond(e27,e27_13,e27_16,1).
12308bond(e27,e27_3,e27_17,1).
12309bond(e27,e27_17,e27_18,7).
12310bond(e27,e27_18,e27_19,7).
12311bond(e27,e27_19,e27_10,1).
12312bond(e27,e27_18,e27_20,7).
12313bond(e27,e27_20,e27_21,7).
12314bond(e27,e27_21,e27_22,7).
12315bond(e27,e27_22,e27_23,7).
12316bond(e27,e27_23,e27_19,7).
12317bond(e27,e27_21,e27_24,1).
12318bond(e27,e27_22,e27_25,1).
12319bond(e27,e27_23,e27_26,1).
12320bond(e27,e27_17,e27_27,7).
12321bond(e27,e27_27,e27_28,7).
12322bond(e27,e27_28,e27_29,7).
12323bond(e27,e27_29,e27_20,7).
12324bond(e27,e27_27,e27_30,1).
12325bond(e27,e27_28,e27_31,1).
12326bond(e27,e27_29,e27_32,1).
12327bond(e27,e27_32,e27_33,2).
12328bond(e27,e27_32,e27_34,2).
12329atm(e3,e3_1,c,22,-0.127).
12330atm(e3,e3_2,c,22,-0.126).
12331atm(e3,e3_3,c,22,0.204).
12332atm(e3,e3_4,c,22,0.003).
12333atm(e3,e3_5,c,22,-0.126).
12334atm(e3,e3_6,c,22,-0.126).
12335atm(e3,e3_7,h,3,0.134).
12336atm(e3,e3_8,h,3,0.134).
12337atm(e3,e3_9,h,3,0.134).
12338atm(e3,e3_10,n,32,-0.396).
12339atm(e3,e3_11,c,10,0.003).
12340atm(e3,e3_12,c,10,-0.097).
12341atm(e3,e3_13,c,10,0.003).
12342atm(e3,e3_14,h,3,0.053).
12343atm(e3,e3_15,h,3,0.053).
12344atm(e3,e3_16,h,3,0.053).
12345atm(e3,e3_17,n,38,0.804).
12346atm(e3,e3_18,o,40,-0.396).
12347atm(e3,e3_19,o,40,-0.396).
12348atm(e3,e3_20,h,3,0.053).
12349atm(e3,e3_21,h,3,0.053).
12350atm(e3,e3_22,h,3,0.053).
12351atm(e3,e3_23,h,3,0.053).
12352
12353bond(e3,e3_1,e3_2,7).
12354bond(e3,e3_2,e3_3,7).
12355bond(e3,e3_3,e3_4,7).
12356bond(e3,e3_4,e3_5,7).
12357bond(e3,e3_5,e3_6,7).
12358bond(e3,e3_6,e3_1,7).
12359bond(e3,e3_1,e3_7,1).
12360bond(e3,e3_2,e3_8,1).
12361bond(e3,e3_5,e3_9,1).
12362bond(e3,e3_3,e3_10,1).
12363bond(e3,e3_10,e3_11,1).
12364bond(e3,e3_4,e3_12,1).
12365bond(e3,e3_12,e3_11,1).
12366bond(e3,e3_10,e3_13,1).
12367bond(e3,e3_13,e3_14,1).
12368bond(e3,e3_13,e3_15,1).
12369bond(e3,e3_13,e3_16,1).
12370bond(e3,e3_6,e3_17,1).
12371bond(e3,e3_17,e3_18,2).
12372bond(e3,e3_17,e3_19,2).
12373bond(e3,e3_12,e3_20,1).
12374bond(e3,e3_12,e3_21,1).
12375bond(e3,e3_11,e3_22,1).
12376bond(e3,e3_11,e3_23,1).
12377atm(e4,e4_1,c,22,-0.149).
12378atm(e4,e4_2,c,22,-0.149).
12379atm(e4,e4_3,c,26,0.281).
12380atm(e4,e4_4,c,26,0.081).
12381atm(e4,e4_5,c,22,-0.149).
12382atm(e4,e4_6,c,22,-0.149).
12383atm(e4,e4_7,n,34,-0.559).
12384atm(e4,e4_8,c,21,0.151).
12385atm(e4,e4_9,c,21,-0.119).
12386atm(e4,e4_10,c,10,0.231).
12387atm(e4,e4_11,n,38,0.78).
12388atm(e4,e4_12,o,40,-0.419).
12389atm(e4,e4_13,o,40,-0.419).
12390atm(e4,e4_14,h,3,0.111).
12391atm(e4,e4_15,h,3,0.111).
12392atm(e4,e4_16,h,3,0.081).
12393atm(e4,e4_17,h,3,0.111).
12394atm(e4,e4_18,h,3,0.081).
12395atm(e4,e4_19,h,3,0.031).
12396atm(e4,e4_20,h,3,0.031).
12397atm(e4,e4_21,h,3,0.031).
12398
12399bond(e4,e4_1,e4_2,7).
12400bond(e4,e4_2,e4_3,7).
12401bond(e4,e4_3,e4_4,7).
12402bond(e4,e4_4,e4_5,7).
12403bond(e4,e4_5,e4_6,7).
12404bond(e4,e4_6,e4_1,7).
12405bond(e4,e4_3,e4_7,7).
12406bond(e4,e4_7,e4_8,7).
12407bond(e4,e4_4,e4_9,7).
12408bond(e4,e4_9,e4_8,7).
12409bond(e4,e4_7,e4_10,1).
12410bond(e4,e4_6,e4_11,1).
12411bond(e4,e4_11,e4_12,2).
12412bond(e4,e4_11,e4_13,2).
12413bond(e4,e4_1,e4_14,1).
12414bond(e4,e4_2,e4_15,1).
12415bond(e4,e4_5,e4_16,1).
12416bond(e4,e4_8,e4_17,1).
12417bond(e4,e4_9,e4_18,1).
12418bond(e4,e4_10,e4_19,1).
12419bond(e4,e4_10,e4_20,1).
12420bond(e4,e4_10,e4_21,1).
12421atm(e5,e5_1,c,22,-0.121).
12422atm(e5,e5_2,c,22,-0.121).
12423atm(e5,e5_3,c,22,-0.121).
12424atm(e5,e5_4,c,22,-0.121).
12425atm(e5,e5_5,c,22,-0.121).
12426atm(e5,e5_6,c,22,-0.121).
12427atm(e5,e5_7,h,3,0.139).
12428atm(e5,e5_8,h,3,0.139).
12429atm(e5,e5_9,h,3,0.139).
12430atm(e5,e5_10,h,3,0.139).
12431atm(e5,e5_11,h,3,0.14).
12432atm(e5,e5_12,n,38,0.81).
12433atm(e5,e5_13,o,40,-0.39).
12434atm(e5,e5_14,o,40,-0.39).
12435
12436bond(e5,e5_1,e5_2,7).
12437bond(e5,e5_2,e5_3,7).
12438bond(e5,e5_3,e5_4,7).
12439bond(e5,e5_4,e5_5,7).
12440bond(e5,e5_5,e5_6,7).
12441bond(e5,e5_6,e5_1,7).
12442bond(e5,e5_1,e5_7,1).
12443bond(e5,e5_2,e5_8,1).
12444bond(e5,e5_3,e5_9,1).
12445bond(e5,e5_4,e5_10,1).
12446bond(e5,e5_6,e5_11,1).
12447bond(e5,e5_5,e5_12,1).
12448bond(e5,e5_12,e5_13,2).
12449bond(e5,e5_12,e5_14,2).
12450atm(e6,e6_1,c,22,-0.149).
12451atm(e6,e6_2,c,22,-0.149).
12452atm(e6,e6_3,c,26,0.281).
12453atm(e6,e6_4,c,26,0.081).
12454atm(e6,e6_5,c,22,-0.149).
12455atm(e6,e6_6,c,22,-0.149).
12456atm(e6,e6_7,n,34,-0.559).
12457atm(e6,e6_8,c,21,0.151).
12458atm(e6,e6_9,c,21,-0.119).
12459atm(e6,e6_10,c,10,0.231).
12460atm(e6,e6_11,n,38,0.78).
12461atm(e6,e6_12,o,40,-0.419).
12462atm(e6,e6_13,o,40,-0.419).
12463atm(e6,e6_14,h,3,0.111).
12464atm(e6,e6_15,h,3,0.081).
12465atm(e6,e6_16,h,3,0.111).
12466atm(e6,e6_17,h,3,0.111).
12467atm(e6,e6_18,h,3,0.081).
12468atm(e6,e6_19,h,3,0.031).
12469atm(e6,e6_20,h,3,0.031).
12470atm(e6,e6_21,h,3,0.031).
12471
12472bond(e6,e6_1,e6_2,7).
12473bond(e6,e6_2,e6_3,7).
12474bond(e6,e6_3,e6_4,7).
12475bond(e6,e6_4,e6_5,7).
12476bond(e6,e6_5,e6_6,7).
12477bond(e6,e6_6,e6_1,7).
12478bond(e6,e6_3,e6_7,7).
12479bond(e6,e6_7,e6_8,7).
12480bond(e6,e6_4,e6_9,7).
12481bond(e6,e6_9,e6_8,7).
12482bond(e6,e6_7,e6_10,1).
12483bond(e6,e6_2,e6_11,1).
12484bond(e6,e6_11,e6_12,2).
12485bond(e6,e6_11,e6_13,2).
12486bond(e6,e6_1,e6_14,1).
12487bond(e6,e6_5,e6_15,1).
12488bond(e6,e6_6,e6_16,1).
12489bond(e6,e6_8,e6_17,1).
12490bond(e6,e6_9,e6_18,1).
12491bond(e6,e6_10,e6_19,1).
12492bond(e6,e6_10,e6_20,1).
12493bond(e6,e6_10,e6_21,1).
12494atm(e7,e7_1,c,22,-0.139).
12495atm(e7,e7_2,c,22,-0.139).
12496atm(e7,e7_3,c,26,-0.049).
12497atm(e7,e7_4,c,26,0.091).
12498atm(e7,e7_5,c,22,-0.14).
12499atm(e7,e7_6,c,22,-0.14).
12500atm(e7,e7_7,n,34,-0.37).
12501atm(e7,e7_8,c,21,0.16).
12502atm(e7,e7_9,c,21,-0.109).
12503atm(e7,e7_10,n,38,0.79).
12504atm(e7,e7_11,o,40,-0.41).
12505atm(e7,e7_12,o,40,-0.41).
12506atm(e7,e7_13,h,3,0.121).
12507atm(e7,e7_14,h,3,0.121).
12508atm(e7,e7_15,h,3,0.121).
12509atm(e7,e7_16,h,3,0.121).
12510atm(e7,e7_17,h,3,0.091).
12511atm(e7,e7_18,h,1,0.29).
12512
12513bond(e7,e7_1,e7_2,7).
12514bond(e7,e7_2,e7_3,7).
12515bond(e7,e7_3,e7_4,7).
12516bond(e7,e7_4,e7_5,7).
12517bond(e7,e7_5,e7_6,7).
12518bond(e7,e7_6,e7_1,7).
12519bond(e7,e7_3,e7_7,7).
12520bond(e7,e7_7,e7_8,7).
12521bond(e7,e7_4,e7_9,7).
12522bond(e7,e7_9,e7_8,7).
12523bond(e7,e7_5,e7_10,1).
12524bond(e7,e7_10,e7_11,2).
12525bond(e7,e7_10,e7_12,2).
12526bond(e7,e7_1,e7_13,1).
12527bond(e7,e7_2,e7_14,1).
12528bond(e7,e7_6,e7_15,1).
12529bond(e7,e7_8,e7_16,1).
12530bond(e7,e7_9,e7_17,1).
12531bond(e7,e7_7,e7_18,1).
12532atm(e8,e8_1,c,22,-0.115).
12533atm(e8,e8_2,c,22,-0.115).
12534atm(e8,e8_3,c,26,0.315).
12535atm(e8,e8_4,c,26,0.115).
12536atm(e8,e8_5,c,22,-0.115).
12537atm(e8,e8_6,c,22,-0.115).
12538atm(e8,e8_7,n,34,-0.384).
12539atm(e8,e8_8,n,34,-0.384).
12540atm(e8,e8_9,c,21,-0.115).
12541atm(e8,e8_10,n,38,0.816).
12542atm(e8,e8_11,o,40,-0.384).
12543atm(e8,e8_12,o,40,-0.384).
12544atm(e8,e8_13,h,1,0.315).
12545atm(e8,e8_14,h,3,0.145).
12546atm(e8,e8_15,h,3,0.145).
12547atm(e8,e8_16,h,3,0.115).
12548atm(e8,e8_17,h,3,0.145).
12549
12550bond(e8,e8_1,e8_2,7).
12551bond(e8,e8_2,e8_3,7).
12552bond(e8,e8_3,e8_4,7).
12553bond(e8,e8_4,e8_5,7).
12554bond(e8,e8_5,e8_6,7).
12555bond(e8,e8_6,e8_1,7).
12556bond(e8,e8_3,e8_7,7).
12557bond(e8,e8_7,e8_8,7).
12558bond(e8,e8_4,e8_9,7).
12559bond(e8,e8_9,e8_8,7).
12560bond(e8,e8_6,e8_10,1).
12561bond(e8,e8_10,e8_11,2).
12562bond(e8,e8_10,e8_12,2).
12563bond(e8,e8_7,e8_13,1).
12564bond(e8,e8_1,e8_14,1).
12565bond(e8,e8_2,e8_15,1).
12566bond(e8,e8_5,e8_16,1).
12567bond(e8,e8_9,e8_17,1).
12568atm(e9,e9_1,c,22,-0.121).
12569atm(e9,e9_2,c,22,-0.121).
12570atm(e9,e9_3,c,22,-0.121).
12571atm(e9,e9_4,c,22,0.31).
12572atm(e9,e9_5,c,22,-0.121).
12573atm(e9,e9_6,c,22,-0.121).
12574atm(e9,e9_7,h,3,0.139).
12575atm(e9,e9_8,h,3,0.139).
12576atm(e9,e9_9,h,3,0.139).
12577atm(e9,e9_10,h,3,0.139).
12578atm(e9,e9_11,n,38,0.81).
12579atm(e9,e9_12,f,92,-0.291).
12580atm(e9,e9_13,o,40,-0.39).
12581atm(e9,e9_14,o,40,-0.39).
12582
12583bond(e9,e9_1,e9_2,7).
12584bond(e9,e9_2,e9_3,7).
12585bond(e9,e9_3,e9_4,7).
12586bond(e9,e9_4,e9_5,7).
12587bond(e9,e9_5,e9_6,7).
12588bond(e9,e9_6,e9_1,7).
12589bond(e9,e9_1,e9_7,1).
12590bond(e9,e9_2,e9_8,1).
12591bond(e9,e9_3,e9_9,1).
12592bond(e9,e9_6,e9_10,1).
12593bond(e9,e9_5,e9_11,1).
12594bond(e9,e9_4,e9_12,1).
12595bond(e9,e9_11,e9_13,2).
12596bond(e9,e9_11,e9_14,2).
12597atm(f1,f1_1,c,21,0.187).
12598atm(f1,f1_2,c,21,-0.143).
12599atm(f1,f1_3,c,21,-0.143).
12600atm(f1,f1_4,c,21,-0.013).
12601atm(f1,f1_5,o,52,-0.043).
12602atm(f1,f1_6,h,3,0.117).
12603atm(f1,f1_7,h,3,0.117).
12604atm(f1,f1_8,n,38,0.786).
12605atm(f1,f1_9,o,40,-0.413).
12606atm(f1,f1_10,o,40,-0.413).
12607atm(f1,f1_11,c,14,0.217).
12608atm(f1,f1_12,o,41,-0.443).
12609atm(f1,f1_13,h,3,0.187).
12610
12611bond(f1,f1_1,f1_2,7).
12612bond(f1,f1_2,f1_3,7).
12613bond(f1,f1_3,f1_4,7).
12614bond(f1,f1_4,f1_5,7).
12615bond(f1,f1_5,f1_1,7).
12616bond(f1,f1_2,f1_6,1).
12617bond(f1,f1_3,f1_7,1).
12618bond(f1,f1_4,f1_8,1).
12619bond(f1,f1_8,f1_9,2).
12620bond(f1,f1_8,f1_10,2).
12621bond(f1,f1_1,f1_11,1).
12622bond(f1,f1_11,f1_12,2).
12623bond(f1,f1_11,f1_13,1).
12624atm(f2,f2_1,c,21,0.006).
12625atm(f2,f2_2,c,21,-0.124).
12626atm(f2,f2_3,c,21,-0.124).
12627atm(f2,f2_4,c,21,0.106).
12628atm(f2,f2_5,c,21,-0.124).
12629atm(f2,f2_6,h,3,0.136).
12630atm(f2,f2_7,h,3,0.136).
12631atm(f2,f2_8,h,3,0.136).
12632atm(f2,f2_9,n,38,0.805).
12633atm(f2,f2_10,o,40,-0.395).
12634atm(f2,f2_11,o,40,-0.395).
12635atm(f2,f2_12,c,16,-0.195).
12636atm(f2,f2_13,c,16,-0.195).
12637atm(f2,f2_14,c,14,0.235).
12638atm(f2,f2_15,o,41,-0.425).
12639atm(f2,f2_16,h,3,0.205).
12640atm(f2,f2_17,h,3,0.106).
12641atm(f2,f2_18,h,3,0.106).
12642
12643bond(f2,f2_1,f2_2,7).
12644bond(f2,f2_2,f2_3,7).
12645bond(f2,f2_3,f2_4,7).
12646bond(f2,f2_4,f2_5,7).
12647bond(f2,f2_5,f2_1,7).
12648bond(f2,f2_2,f2_6,1).
12649bond(f2,f2_3,f2_7,1).
12650bond(f2,f2_5,f2_8,1).
12651bond(f2,f2_1,f2_9,1).
12652bond(f2,f2_9,f2_10,2).
12653bond(f2,f2_9,f2_11,2).
12654bond(f2,f2_12,f2_13,2).
12655bond(f2,f2_13,f2_14,1).
12656bond(f2,f2_14,f2_15,2).
12657bond(f2,f2_14,f2_16,1).
12658bond(f2,f2_13,f2_17,1).
12659bond(f2,f2_4,f2_12,1).
12660bond(f2,f2_12,f2_18,1).
12661atm(f3,f3_1,c,21,0.086).
12662atm(f3,f3_2,c,21,-0.144).
12663atm(f3,f3_3,c,21,-0.144).
12664atm(f3,f3_4,c,21,-0.014).
12665atm(f3,f3_5,o,52,-0.044).
12666atm(f3,f3_6,h,3,0.116).
12667atm(f3,f3_7,h,3,0.116).
12668atm(f3,f3_8,n,38,0.788).
12669atm(f3,f3_9,o,40,-0.414).
12670atm(f3,f3_10,o,40,-0.414).
12671atm(f3,f3_11,c,14,0.587).
12672atm(f3,f3_12,n,32,-0.414).
12673atm(f3,f3_13,h,3,0.036).
12674atm(f3,f3_14,n,32,-0.414).
12675atm(f3,f3_15,c,14,0.587).
12676atm(f3,f3_16,h,1,0.287).
12677atm(f3,f3_17,o,40,-0.563).
12678atm(f3,f3_18,n,32,-0.612).
12679atm(f3,f3_19,h,1,0.287).
12680atm(f3,f3_20,h,1,0.287).
12681
12682bond(f3,f3_1,f3_2,7).
12683bond(f3,f3_2,f3_3,7).
12684bond(f3,f3_3,f3_4,7).
12685bond(f3,f3_4,f3_5,7).
12686bond(f3,f3_5,f3_1,7).
12687bond(f3,f3_2,f3_6,1).
12688bond(f3,f3_3,f3_7,1).
12689bond(f3,f3_4,f3_8,1).
12690bond(f3,f3_8,f3_9,2).
12691bond(f3,f3_8,f3_10,2).
12692bond(f3,f3_1,f3_11,1).
12693bond(f3,f3_11,f3_12,2).
12694bond(f3,f3_11,f3_13,1).
12695bond(f3,f3_12,f3_14,1).
12696bond(f3,f3_14,f3_15,1).
12697bond(f3,f3_14,f3_16,1).
12698bond(f3,f3_15,f3_17,2).
12699bond(f3,f3_15,f3_18,1).
12700bond(f3,f3_18,f3_19,1).
12701bond(f3,f3_18,f3_20,1).
12702atm(f4,f4_1,c,21,0.107).
12703atm(f4,f4_2,c,21,-0.123).
12704atm(f4,f4_3,c,21,-0.123).
12705atm(f4,f4_4,c,21,0.007).
12706atm(f4,f4_5,o,52,-0.023).
12707atm(f4,f4_6,h,3,0.137).
12708atm(f4,f4_7,h,3,0.137).
12709atm(f4,f4_8,n,38,0.808).
12710atm(f4,f4_9,o,40,-0.393).
12711atm(f4,f4_10,o,40,-0.393).
12712atm(f4,f4_11,c,14,0.608).
12713atm(f4,f4_12,n,32,-0.393).
12714atm(f4,f4_13,h,3,0.057).
12715atm(f4,f4_14,n,36,-0.293).
12716atm(f4,f4_15,n,32,-0.393).
12717atm(f4,f4_16,h,1,0.157).
12718atm(f4,f4_17,c,10,0.007).
12719atm(f4,f4_18,c,14,0.608).
12720atm(f4,f4_19,c,14,0.608).
12721atm(f4,f4_20,h,3,0.057).
12722atm(f4,f4_21,h,3,0.057).
12723atm(f4,f4_22,n,32,-0.393).
12724atm(f4,f4_23,o,40,-0.542).
12725atm(f4,f4_24,o,40,-0.543).
12726atm(f4,f4_25,h,1,0.257).
12727
12728bond(f4,f4_1,f4_2,7).
12729bond(f4,f4_2,f4_3,7).
12730bond(f4,f4_3,f4_4,7).
12731bond(f4,f4_4,f4_5,7).
12732bond(f4,f4_5,f4_1,7).
12733bond(f4,f4_2,f4_6,1).
12734bond(f4,f4_3,f4_7,1).
12735bond(f4,f4_4,f4_8,1).
12736bond(f4,f4_8,f4_9,2).
12737bond(f4,f4_8,f4_10,2).
12738bond(f4,f4_1,f4_11,1).
12739bond(f4,f4_11,f4_12,2).
12740bond(f4,f4_11,f4_13,1).
12741bond(f4,f4_12,f4_14,1).
12742bond(f4,f4_14,f4_15,1).
12743bond(f4,f4_14,f4_16,1).
12744bond(f4,f4_15,f4_17,1).
12745bond(f4,f4_15,f4_18,1).
12746bond(f4,f4_17,f4_19,1).
12747bond(f4,f4_17,f4_20,1).
12748bond(f4,f4_17,f4_21,1).
12749bond(f4,f4_19,f4_22,1).
12750bond(f4,f4_22,f4_18,1).
12751bond(f4,f4_18,f4_23,2).
12752bond(f4,f4_19,f4_24,2).
12753bond(f4,f4_22,f4_25,1).
12754atm(f5,f5_1,c,21,0.046).
12755atm(f5,f5_2,n,34,-0.494).
12756atm(f5,f5_3,c,21,0.046).
12757atm(f5,f5_4,c,21,0.046).
12758atm(f5,f5_5,s,72,-0.184).
12759atm(f5,f5_6,n,32,-0.354).
12760atm(f5,f5_7,c,10,0.046).
12761atm(f5,f5_8,c,10,0.046).
12762atm(f5,f5_9,n,32,-0.354).
12763atm(f5,f5_10,c,14,0.646).
12764atm(f5,f5_11,h,3,0.146).
12765atm(f5,f5_12,h,3,0.096).
12766atm(f5,f5_13,h,3,0.096).
12767atm(f5,f5_14,h,3,0.096).
12768atm(f5,f5_15,h,3,0.096).
12769atm(f5,f5_16,n,38,0.846).
12770atm(f5,f5_17,o,40,-0.354).
12771atm(f5,f5_18,o,40,-0.354).
12772atm(f5,f5_19,h,1,0.346).
12773atm(f5,f5_20,o,40,-0.504).
12774
12775bond(f5,f5_1,f5_2,7).
12776bond(f5,f5_2,f5_3,7).
12777bond(f5,f5_3,f5_4,7).
12778bond(f5,f5_4,f5_5,7).
12779bond(f5,f5_5,f5_1,7).
12780bond(f5,f5_6,f5_7,1).
12781bond(f5,f5_7,f5_8,1).
12782bond(f5,f5_8,f5_9,1).
12783bond(f5,f5_9,f5_10,1).
12784bond(f5,f5_10,f5_6,1).
12785bond(f5,f5_3,f5_11,1).
12786bond(f5,f5_7,f5_12,1).
12787bond(f5,f5_7,f5_13,1).
12788bond(f5,f5_8,f5_14,1).
12789bond(f5,f5_8,f5_15,1).
12790bond(f5,f5_4,f5_16,1).
12791bond(f5,f5_16,f5_17,2).
12792bond(f5,f5_16,f5_18,2).
12793bond(f5,f5_1,f5_9,1).
12794bond(f5,f5_6,f5_19,1).
12795bond(f5,f5_10,f5_20,2).
12796atm(f6,f6_1,c,21,0.106).
12797atm(f6,f6_2,c,21,-0.124).
12798atm(f6,f6_3,c,21,-0.124).
12799atm(f6,f6_4,c,21,0.006).
12800atm(f6,f6_5,o,52,-0.024).
12801atm(f6,f6_6,h,3,0.136).
12802atm(f6,f6_7,h,3,0.136).
12803atm(f6,f6_8,n,38,0.805).
12804atm(f6,f6_9,o,40,-0.395).
12805atm(f6,f6_10,o,40,-0.394).
12806atm(f6,f6_11,c,14,0.605).
12807atm(f6,f6_12,n,32,-0.395).
12808atm(f6,f6_13,h,3,0.056).
12809atm(f6,f6_14,n,32,-0.395).
12810atm(f6,f6_15,c,10,0.006).
12811atm(f6,f6_16,c,14,0.605).
12812atm(f6,f6_17,c,10,0.256).
12813atm(f6,f6_18,h,3,0.056).
12814atm(f6,f6_19,h,3,0.056).
12815atm(f6,f6_20,o,49,-0.645).
12816atm(f6,f6_21,o,51,-0.545).
12817atm(f6,f6_22,h,3,0.106).
12818atm(f6,f6_23,h,3,0.106).
12819
12820bond(f6,f6_1,f6_2,7).
12821bond(f6,f6_2,f6_3,7).
12822bond(f6,f6_3,f6_4,7).
12823bond(f6,f6_4,f6_5,7).
12824bond(f6,f6_5,f6_1,7).
12825bond(f6,f6_2,f6_6,1).
12826bond(f6,f6_3,f6_7,1).
12827bond(f6,f6_4,f6_8,1).
12828bond(f6,f6_8,f6_9,2).
12829bond(f6,f6_8,f6_10,2).
12830bond(f6,f6_1,f6_11,1).
12831bond(f6,f6_11,f6_12,2).
12832bond(f6,f6_11,f6_13,1).
12833bond(f6,f6_14,f6_15,1).
12834bond(f6,f6_14,f6_16,1).
12835bond(f6,f6_15,f6_17,1).
12836bond(f6,f6_15,f6_18,1).
12837bond(f6,f6_15,f6_19,1).
12838bond(f6,f6_17,f6_20,1).
12839bond(f6,f6_20,f6_16,1).
12840bond(f6,f6_16,f6_21,2).
12841bond(f6,f6_12,f6_14,1).
12842bond(f6,f6_17,f6_22,1).
12843bond(f6,f6_17,f6_23,1).
12844ind1(d1,1.0).
12845ind1(d2,0.0).
12846ind1(d3,0.0).
12847ind1(d4,1.0).
12848ind1(d5,0.0).
12849ind1(d6,1.0).
12850ind1(d7,0.0).
12851ind1(d8,1.0).
12852ind1(d9,0.0).
12853
12854ind1(d10,1.0).
12855ind1(d11,1.0).
12856ind1(d12,1.0).
12857ind1(d13,1.0).
12858ind1(d14,0.0).
12859ind1(d15,1.0).
12860ind1(d16,1.0).
12861ind1(d17,0.0).
12862ind1(d18,1.0).
12863ind1(d19,0.0).
12864
12865ind1(d20,1.0).
12866ind1(d21,0.0).
12867ind1(d22,1.0).
12868ind1(d23,1.0).
12869ind1(d24,1.0).
12870ind1(d25,1.0).
12871ind1(d26,0.0).
12872ind1(d27,1.0).
12873ind1(d28,1.0).
12874ind1(d29,1.0).
12875
12876ind1(d30,1.0).
12877ind1(d31,1.0).
12878ind1(d32,0.0).
12879ind1(d33,1.0).
12880ind1(d34,0.0).
12881ind1(d35,1.0).
12882ind1(d36,0.0).
12883ind1(d37,0.0).
12884ind1(d38,0.0).
12885ind1(d39,0.0).
12886
12887ind1(d40,0.0).
12888ind1(d41,1.0).
12889ind1(d42,0.0).
12890ind1(d43,1.0).
12891ind1(d44,1.0).
12892ind1(d45,0.0).
12893ind1(d46,1.0).
12894ind1(d47,1.0).
12895ind1(d48,1.0).
12896ind1(d49,1.0).
12897
12898ind1(d50,0.0).
12899ind1(d51,1.0).
12900ind1(d52,1.0).
12901ind1(d53,1.0).
12902ind1(d54,1.0).
12903ind1(d55,0.0).
12904ind1(d56,1.0).
12905ind1(d57,0.0).
12906ind1(d58,1.0).
12907ind1(d59,1.0).
12908
12909ind1(d60,0.0).
12910ind1(d61,1.0).
12911ind1(d62,0.0).
12912ind1(d63,0.0).
12913ind1(d64,1.0).
12914ind1(d65,0.0).
12915ind1(d66,0.0).
12916ind1(d67,1.0).
12917ind1(d68,1.0).
12918ind1(d69,1.0).
12919
12920ind1(d70,0.0).
12921ind1(d71,1.0).
12922ind1(d72,1.0).
12923ind1(d73,0.0).
12924ind1(d74,1.0).
12925ind1(d75,0.0).
12926ind1(d76,0.0).
12927ind1(d77,0.0).
12928ind1(d78,0.0).
12929ind1(d79,1.0).
12930
12931ind1(d80,1.0).
12932ind1(d81,0.0).
12933ind1(d82,1.0).
12934ind1(d83,1.0).
12935ind1(d84,0.0).
12936ind1(d85,1.0).
12937ind1(d86,1.0).
12938ind1(d87,1.0).
12939ind1(d88,0.0).
12940ind1(d89,0.0).
12941
12942ind1(d90,1.0).
12943ind1(d91,1.0).
12944ind1(d92,1.0).
12945ind1(d93,1.0).
12946ind1(d94,1.0).
12947ind1(d95,0.0).
12948ind1(d96,1.0).
12949ind1(d97,1.0).
12950ind1(d98,0.0).
12951ind1(d99,1.0).
12952
12953ind1(d100,0.0).
12954ind1(d101,1.0).
12955ind1(d102,1.0).
12956ind1(d103,1.0).
12957ind1(d104,1.0).
12958ind1(d105,1.0).
12959ind1(d106,1.0).
12960ind1(d107,1.0).
12961ind1(d108,1.0).
12962ind1(d109,1.0).
12963
12964ind1(d110,0.0).
12965ind1(d111,0.0).
12966ind1(d112,1.0).
12967ind1(d113,0.0).
12968ind1(d114,0.0).
12969ind1(d115,0.0).
12970ind1(d116,0.0).
12971ind1(d117,0.0).
12972ind1(d118,1.0).
12973ind1(d119,0.0).
12974
12975ind1(d120,0.0).
12976ind1(d121,1.0).
12977ind1(d122,1.0).
12978ind1(d123,0.0).
12979ind1(d124,0.0).
12980ind1(d125,1.0).
12981ind1(d126,1.0).
12982ind1(d127,0.0).
12983ind1(d128,1.0).
12984ind1(d129,0.0).
12985
12986ind1(d130,0.0).
12987ind1(d131,0.0).
12988ind1(d132,0.0).
12989ind1(d133,1.0).
12990ind1(d134,1.0).
12991ind1(d135,0.0).
12992ind1(d136,1.0).
12993ind1(d137,1.0).
12994ind1(d138,0.0).
12995ind1(d139,0.0).
12996
12997ind1(d140,0.0).
12998ind1(d141,0.0).
12999ind1(d142,1.0).
13000ind1(d143,0.0).
13001ind1(d144,0.0).
13002ind1(d145,0.0).
13003ind1(d146,0.0).
13004ind1(d147,0.0).
13005ind1(d148,1.0).
13006ind1(d149,1.0).
13007
13008ind1(d150,0.0).
13009ind1(d151,0.0).
13010ind1(d152,1.0).
13011ind1(d153,1.0).
13012ind1(d154,0.0).
13013ind1(d155,0.0).
13014ind1(d156,0.0).
13015ind1(d157,1.0).
13016ind1(d158,1.0).
13017ind1(d159,1.0).
13018
13019ind1(d160,0.0).
13020ind1(d161,1.0).
13021ind1(d162,0.0).
13022ind1(d163,1.0).
13023ind1(d164,1.0).
13024ind1(d165,1.0).
13025ind1(d166,1.0).
13026ind1(d167,1.0).
13027ind1(d168,0.0).
13028ind1(d169,0.0).
13029
13030ind1(d170,1.0).
13031ind1(d171,0.0).
13032ind1(d172,0.0).
13033ind1(d173,0.0).
13034ind1(d174,1.0).
13035ind1(d175,1.0).
13036ind1(d176,0.0).
13037ind1(d177,1.0).
13038ind1(d178,0.0).
13039ind1(d179,0.0).
13040
13041ind1(d180,1.0).
13042ind1(d181,0.0).
13043ind1(d182,0.0).
13044ind1(d183,1.0).
13045ind1(d184,1.0).
13046ind1(d185,0.0).
13047ind1(d186,0.0).
13048ind1(d187,1.0).
13049ind1(d188,1.0).
13050
13051
13052
13053
13054
13055
13056
13057
13058ind1(d189,0.0).
13059ind1(d190,0.0).
13060ind1(d191,1.0).
13061ind1(d192,1.0).
13062ind1(d193,1.0).
13063ind1(d194,0.0).
13064ind1(d195,0.0).
13065ind1(d196,1.0).
13066ind1(d197,0.0).
13067
13068ind1(e1,1.0).
13069ind1(e2,1.0).
13070ind1(e3,0.0).
13071ind1(e4,0.0).
13072ind1(e5,0.0).
13073ind1(e6,0.0).
13074ind1(e7,0.0).
13075ind1(e8,0.0).
13076ind1(e9,0.0).
13077ind1(e10,0.0).
13078ind1(e11,0.0).
13079ind1(e12,0.0).
13080ind1(e13,0.0).
13081ind1(e14,0.0).
13082ind1(e15,1.0).
13083ind1(e16,0.0).
13084ind1(e17,1.0).
13085ind1(e18,0.0).
13086ind1(e19,1.0).
13087ind1(e20,1.0).
13088ind1(e21,1.0).
13089ind1(e22,1.0).
13090ind1(e23,1.0).
13091ind1(e24,1.0).
13092ind1(e25,1.0).
13093ind1(e26,1.0).
13094ind1(e27,1.0).
13095ind1(f1,0.0).
13096ind1(f2,0.0).
13097ind1(f3,0.0).
13098ind1(f4,0.0).
13099ind1(f5,0.0).
13100ind1(f6,0.0).
13101inda(d1,0.0).
13102inda(d2,0.0).
13103inda(d3,0.0).
13104inda(d4,0.0).
13105inda(d5,0.0).
13106inda(d6,0.0).
13107inda(d7,0.0).
13108inda(d8,0.0).
13109inda(d9,0.0).
13110
13111inda(d10,0.0).
13112inda(d11,0.0).
13113inda(d12,0.0).
13114inda(d13,0.0).
13115inda(d14,0.0).
13116inda(d15,0.0).
13117inda(d16,0.0).
13118inda(d17,0.0).
13119inda(d18,0.0).
13120inda(d19,0.0).
13121
13122inda(d20,0.0).
13123inda(d21,0.0).
13124inda(d22,0.0).
13125inda(d23,1.0).
13126inda(d24,0.0).
13127inda(d25,0.0).
13128inda(d26,0.0).
13129inda(d27,0.0).
13130inda(d28,0.0).
13131inda(d29,0.0).
13132
13133inda(d30,1.0).
13134inda(d31,0.0).
13135inda(d32,0.0).
13136inda(d33,0.0).
13137inda(d34,0.0).
13138inda(d35,0.0).
13139inda(d36,0.0).
13140inda(d37,0.0).
13141inda(d38,0.0).
13142inda(d39,0.0).
13143
13144inda(d40,0.0).
13145inda(d41,0.0).
13146inda(d42,0.0).
13147inda(d43,0.0).
13148inda(d44,0.0).
13149inda(d45,0.0).
13150inda(d46,0.0).
13151inda(d47,0.0).
13152inda(d48,0.0).
13153inda(d49,0.0).
13154
13155inda(d50,0.0).
13156inda(d51,0.0).
13157inda(d52,0.0).
13158inda(d53,0.0).
13159inda(d54,0.0).
13160inda(d55,0.0).
13161inda(d56,0.0).
13162inda(d57,0.0).
13163inda(d58,0.0).
13164inda(d59,1.0).
13165
13166inda(d60,0.0).
13167inda(d61,0.0).
13168inda(d62,0.0).
13169inda(d63,0.0).
13170inda(d64,0.0).
13171inda(d65,0.0).
13172inda(d66,0.0).
13173inda(d67,0.0).
13174inda(d68,0.0).
13175inda(d69,0.0).
13176
13177inda(d70,0.0).
13178inda(d71,0.0).
13179inda(d72,0.0).
13180inda(d73,0.0).
13181inda(d74,0.0).
13182inda(d75,0.0).
13183inda(d76,0.0).
13184inda(d77,0.0).
13185inda(d78,0.0).
13186inda(d79,0.0).
13187
13188inda(d80,0.0).
13189inda(d81,0.0).
13190inda(d82,0.0).
13191inda(d83,0.0).
13192inda(d84,0.0).
13193inda(d85,1.0).
13194inda(d86,1.0).
13195inda(d87,0.0).
13196inda(d88,0.0).
13197inda(d89,0.0).
13198
13199inda(d90,0.0).
13200inda(d91,0.0).
13201inda(d92,0.0).
13202inda(d93,0.0).
13203inda(d94,0.0).
13204inda(d95,0.0).
13205inda(d96,0.0).
13206inda(d97,0.0).
13207inda(d98,0.0).
13208inda(d99,0.0).
13209
13210inda(d100,0.0).
13211inda(d101,0.0).
13212inda(d102,0.0).
13213inda(d103,0.0).
13214inda(d104,0.0).
13215inda(d105,0.0).
13216inda(d106,0.0).
13217inda(d107,0.0).
13218inda(d108,0.0).
13219inda(d109,0.0).
13220
13221inda(d110,0.0).
13222inda(d111,0.0).
13223inda(d112,0.0).
13224inda(d113,0.0).
13225inda(d114,0.0).
13226inda(d115,0.0).
13227inda(d116,0.0).
13228inda(d117,0.0).
13229inda(d118,0.0).
13230inda(d119,0.0).
13231
13232inda(d120,0.0).
13233inda(d121,0.0).
13234inda(d122,0.0).
13235inda(d123,0.0).
13236inda(d124,0.0).
13237inda(d125,0.0).
13238inda(d126,0.0).
13239inda(d127,0.0).
13240inda(d128,0.0).
13241inda(d129,0.0).
13242
13243inda(d130,0.0).
13244inda(d131,0.0).
13245inda(d132,0.0).
13246inda(d133,0.0).
13247inda(d134,0.0).
13248inda(d135,0.0).
13249inda(d136,0.0).
13250inda(d137,0.0).
13251inda(d138,0.0).
13252inda(d139,0.0).
13253
13254inda(d140,0.0).
13255inda(d141,0.0).
13256inda(d142,0.0).
13257inda(d143,0.0).
13258inda(d144,0.0).
13259inda(d145,0.0).
13260inda(d146,0.0).
13261inda(d147,0.0).
13262inda(d148,0.0).
13263inda(d149,0.0).
13264
13265inda(d150,0.0).
13266inda(d151,0.0).
13267inda(d152,0.0).
13268inda(d153,0.0).
13269inda(d154,0.0).
13270inda(d155,0.0).
13271inda(d156,0.0).
13272inda(d157,0.0).
13273inda(d158,0.0).
13274inda(d159,0.0).
13275
13276inda(d160,0.0).
13277inda(d161,0.0).
13278inda(d162,0.0).
13279inda(d163,0.0).
13280inda(d164,0.0).
13281inda(d165,0.0).
13282inda(d166,0.0).
13283inda(d167,0.0).
13284inda(d168,0.0).
13285inda(d169,0.0).
13286
13287inda(d170,0.0).
13288inda(d171,0.0).
13289inda(d172,0.0).
13290inda(d173,0.0).
13291inda(d174,0.0).
13292inda(d175,0.0).
13293inda(d176,0.0).
13294inda(d177,0.0).
13295inda(d178,0.0).
13296inda(d179,0.0).
13297
13298inda(d180,0.0).
13299inda(d181,0.0).
13300inda(d182,0.0).
13301inda(d183,0.0).
13302inda(d184,0.0).
13303inda(d185,0.0).
13304inda(d186,0.0).
13305inda(d187,0.0).
13306inda(d188,0.0).
13307
13308
13309
13310
13311
13312
13313
13314
13315inda(d189,0.0).
13316inda(d190,0.0).
13317inda(d191,0.0).
13318inda(d192,0.0).
13319inda(d193,0.0).
13320inda(d194,0.0).
13321inda(d195,0.0).
13322inda(d196,0.0).
13323inda(d197,0.0).
13324
13325inda(e1,0.0).
13326inda(e2,0.0).
13327inda(e3,0.0).
13328inda(e4,0.0).
13329inda(e5,0.0).
13330inda(e6,0.0).
13331inda(e7,0.0).
13332inda(e8,0.0).
13333inda(e9,0.0).
13334inda(e10,0.0).
13335inda(e11,0.0).
13336inda(e12,0.0).
13337inda(e13,0.0).
13338inda(e14,0.0).
13339inda(e15,0.0).
13340inda(e16,0.0).
13341inda(e17,0.0).
13342inda(e18,0.0).
13343inda(e19,0.0).
13344inda(e20,0.0).
13345inda(e21,0.0).
13346inda(e22,0.0).
13347inda(e23,0.0).
13348inda(e24,0.0).
13349inda(e25,0.0).
13350inda(e26,0.0).
13351inda(e27,0.0).
13352inda(f1,0.0).
13353inda(f2,0.0).
13354inda(f3,0.0).
13355inda(f4,0.0).
13356inda(f5,0.0).
13357inda(f6,0.0).
13358act(d1,2.11).
13359act(d2,-1.24).
13360act(d3,-0.96).
13361act(d4,2.74).
13362act(d5,-0.79).
13363act(d6,4.99).
13364act(d7,-0.10).
13365act(d8,1.86).
13366act(d9,-1.83).
13367act(d10,2.36).
13368act(d11,2.25).
13369act(d12,2.43).
13370act(d13,3.78).
13371act(d14,-1.10).
13372act(d15,2.78).
13373act(d16,3.62).
13374act(d17,-3.00).
13375act(d18,2.13).
13376act(d19,-1.08).
13377act(d20,2.51).
13378act(d21,0.23).
13379act(d22,2.97).
13380act(d23,0.86).
13381act(d24,0.45).
13382act(d25,1.68).
13383act(d26,0.30).
13384act(d27,2.63).
13385act(d28,2.68).
13386act(d29,3.41).
13387act(d30,0.67).
13388act(d31,3.11).
13389act(d32,1.54).
13390act(d33,2.81).
13391act(d34,-0.30).
13392act(d35,1.56).
13393act(d36,0.00).
13394act(d37,0.69).
13395act(d38,-0.30).
13396act(d39,-1.21).
13397act(d40,-0.61).
13398act(d41,3.06).
13399act(d42,-1.10).
13400act(d43,3.01).
13401act(d44,1.99).
13402act(d45,0.15).
13403act(d46,0.90).
13404act(d47,3.50).
13405act(d48,2.95).
13406act(d49,2.75).
13407act(d50,0.52).
13408act(d51,2.41).
13409act(d52,2.41).
13410act(d53,3.22).
13411act(d54,1.73).
13412act(d55,-0.70).
13413act(d56,2.06).
13414act(d57,0.66).
13415act(d58,2.80).
13416act(d59,0.26).
13417act(d60,0.35).
13418act(d61,3.11).
13419act(d62,-2.40).
13420act(d63,2.45).
13421act(d64,3.19).
13422act(d65,-0.05).
13423act(d66,-1.52).
13424act(d67,2.26).
13425act(d68,2.82).
13426act(d69,3.20).
13427act(d70,-0.94).
13428act(d71,2.19).
13429act(d72,1.43).
13430act(d73,-2.00).
13431act(d74,2.76).
13432act(d75,1.17).
13433act(d76,-1.72).
13434act(d77,-1.52).
13435act(d78,-0.23).
13436act(d79,1.79).
13437act(d80,1.87).
13438act(d81,0.03).
13439act(d82,3.56).
13440act(d83,1.01).
13441act(d84,-1.30).
13442act(d85,0.04).
13443act(d86,0.92).
13444act(d87,1.64).
13445act(d88,-1.54).
13446act(d89,-1.00).
13447act(d90,1.59).
13448act(d91,3.08).
13449act(d92,1.58).
13450act(d93,2.95).
13451act(d94,3.39).
13452act(d95,1.51).
13453act(d96,4.99).
13454act(d97,2.79).
13455act(d98,-1.55).
13456act(d99,1.77).
13457act(d100,-1.70).
13458act(d101,0.78).
13459act(d102,2.93).
13460act(d103,3.35).
13461act(d104,0.70).
13462act(d105,0.59).
13463act(d106,1.89).
13464act(d107,3.44).
13465act(d108,3.67).
13466act(d109,3.60).
13467act(d110,-0.07).
13468act(d111,-1.64).
13469act(d112,1.00).
13470act(d113,-1.74).
13471act(d114,-1.70).
13472act(d115,0.08).
13473act(d116,-0.23).
13474act(d117,0.03).
13475act(d118,0.30).
13476act(d119,-0.19).
13477act(d120,-0.82).
13478act(d121,3.16).
13479act(d122,1.75).
13480act(d123,-0.84).
13481act(d124,-1.66).
13482act(d125,3.27).
13483act(d126,2.02).
13484act(d127,1.92).
13485act(d128,1.91).
13486act(d129,-0.07).
13487act(d130,-2.70).
13488act(d131,-1.15).
13489act(d132,-1.92).
13490act(d133,-1.40).
13491act(d134,4.25).
13492act(d135,-1.21).
13493act(d136,3.87).
13494act(d137,2.62).
13495act(d138,-0.41).
13496act(d139,-2.00).
13497act(d140,0.90).
13498act(d141,-1.51).
13499act(d142,-0.53).
13500act(d143,-2.22).
13501act(d144,-1.54).
13502act(d145,0.25).
13503act(d146,0.19).
13504act(d147,-0.51).
13505act(d148,1.77).
13506act(d149,4.34).
13507act(d150,-1.61).
13508act(d151,0.11).
13509act(d152,2.32).
13510act(d153,0.58).
13511act(d154,0.00).
13512act(d155,-1.89).
13513act(d156,-0.48).
13514act(d157,1.34).
13515act(d158,2.89).
13516act(d159,1.59).
13517act(d160,-1.32).
13518act(d161,1.99).
13519act(d162,2.85).
13520act(d163,4.58).
13521act(d164,5.04).
13522act(d165,4.05).
13523act(d166,4.22).
13524act(d167,5.06).
13525act(d168,-2.70).
13526act(d169,1.20).
13527act(d170,0.87).
13528act(d171,2.66).
13529act(d172,0.66).
13530act(d173,2.60).
13531act(d174,5.02).
13532act(d175,-0.33).
13533act(d176,0.96).
13534act(d177,1.26).
13535act(d178,0.23).
13536act(d179,-1.42).
13537act(d180,4.33).
13538act(d181,-1.11).
13539act(d182,-2.70).
13540act(d183,5.39).
13541act(d184,5.09).
13542act(d185,-1.84).
13543act(d186,-0.17).
13544act(d187,4.09).
13545act(d188,-0.70).
13546act(d189,-0.70).
13547act(d190,0.57).
13548act(d191,0.77).
13549act(d192,-0.22).
13550act(d193,-0.22).
13551act(d194,0.63).
13552act(d195,-2.94).
13553act(d196,-2.00).
13554act(d197,2.54).
13555act(e1,1.64).
13556act(e2,0.30).
13557act(e3,-4.0).
13558act(e4,-4.0).
13559act(e5,-4.0).
13560act(e6,-4.0).
13561act(e7,-4.0).
13562act(e8,-4.0).
13563act(e9,-4.0).
13564act(e10,-4.0).
13565act(e11,-4.0).
13566act(e12,-4.0).
13567act(e13,-4.0).
13568act(e14,-4.0).
13569act(e15,-0.52).
13570act(e16,-4.0).
13571act(e17,-0.95).
13572act(e18,-4.0).
13573act(e19,-4.0).
13574act(e20,-4.0).
13575act(e21,-4.0).
13576act(e22,-4.0).
13577act(e23,-4.0).
13578act(e24,-4.0).
13579act(e25,-4.0).
13580act(e26,-4.0).
13581act(e27,1.48).
13582act(f1,0.64).
13583act(f2,1.97).
13584act(f3,1.02).
13585act(f4,1.03).
13586act(f5,2.59).
13587act(f6,2.24).
13588logp(d8, 3.46).
13589logp(d16, 4.44).
13590logp(d21, 3.52).
13591logp(d22, 5.09).
13592logp(d23, 5.07).
13593logp(d29, 2.42).
13594logp(d30, 5.07).
13595logp(d32, 3).
13596logp(d33, 4.23).
13597logp(d35, 3.06).
13598logp(d37, 4.18).
13599logp(d44, 4.53).
13600logp(d47, 5.02).
13601logp(d74, 5.87).
13602logp(d81, 1.49).
13603logp(d85, 5.07).
13604logp(d91, 3.01).
13605logp(d92, 5.28).
13606logp(d93, 5.87).
13607logp(d97, 3.95).
13608logp(d99, 2.72).
13609logp(d102, 2.4).
13610logp(d103, 4.69).
13611logp(d106, 4.34).
13612logp(d108, 4.69).
13613logp(d118, 6.57).
13614logp(d121, 4.18).
13615logp(d134, 4.73).
13616logp(d145, 2.68).
13617logp(d158, 3.08).
13618logp(d161, 5.61).
13619logp(d162, 3).
13620logp(d167, 4.44).
13621logp(d170, 2.52).
13622logp(d176, 2.74).
13623logp(d180, 6.07).
13624logp(f4, -0.47).
13625logp(f5, 0.95).
13626logp(d2, 1.44).
13627logp(d17, 0.87).
13628logp(d42, 1.77).
13629logp(d70, 0.47).
13630logp(d77, 2.68).
13631logp(d89, 1.77).
13632logp(d98, 1.65).
13633logp(d111, 1.56).
13634logp(d114, 2.68).
13635logp(d119, 3.26).
13636logp(d120, 1.77).
13637logp(d130, 1.73).
13638logp(d131, 2.83).
13639logp(d132, 1.74).
13640logp(d138, 1.77).
13641logp(d141, 3.05).
13642logp(d144, 2.9).
13643logp(d147, 1.94).
13644logp(d186, 2.07).
13645logp(d188, 3.51).
13646logp(d189, 2.29).
13647logp(d196, 3.51).
13648logp(e4, 2.5).
13649logp(e5, 1.85).
13650logp(e8, 2.03).
13651logp(e12, 1.58).
13652logp(e14, 2.39).
13653logp(e18, 3.12).
13654logp(e22, 2.55).
13655logp(e25, 4.78).
13656logp(e26, 5.06).
13657logp(d1, 4.23).
13658logp(d4, 4.69).
13659logp(d6, 3.92).
13660logp(d10, 4.62).
13661logp(d11, 4.23).
13662logp(d12, 3.63).
13663logp(d13, 4.44).
13664logp(d15, 4.69).
13665logp(d18, 3.06).
13666logp(d20, 3.4).
13667logp(d24, 6.79).
13668logp(d25, 3.43).
13669logp(d26, 2.17).
13670logp(d27, 5.87).
13671logp(d28, 4.11).
13672logp(d31, 4.44).
13673logp(d41, 4.83).
13674logp(d43, 4.69).
13675logp(d45, 1.46).
13676logp(d46, 6.57).
13677logp(d48, 4.23).
13678logp(d49, 2.29).
13679logp(d50, 2.58).
13680logp(d51, 6.01).
13681logp(d52, 6.01).
13682logp(d53, 3.35).
13683logp(d54, 6.24).
13684logp(d56, 2.52).
13685logp(d57, 3.26).
13686logp(d58, 3.01).
13687logp(d59, 5.07).
13688logp(d60, 2.3).
13689logp(d61, 4.68).
13690logp(d63, 2.79).
13691logp(d64, 2.84).
13692logp(d67, 4.66).
13693logp(d68, 5.87).
13694logp(d69, 3.71).
13695logp(d71, 6.01).
13696logp(d72, 3.37).
13697logp(d75, 3.52).
13698logp(d79, 4.73).
13699logp(d80, 4.69).
13700logp(d82, 4.18).
13701logp(d83, 3.51).
13702logp(d86, 5.07).
13703logp(d87, 3.83).
13704logp(d90, 5.87).
13705logp(d94, 4.69).
13706logp(d95, 2.55).
13707logp(d96, 4.18).
13708logp(d101, 6.26).
13709logp(d104, 6.26).
13710logp(d105, 1.84).
13711logp(d107, 4.18).
13712logp(d109, 6.07).
13713logp(d112, 3.81).
13714logp(d115, 2.74).
13715logp(d117, 3.26).
13716logp(d122, 5.41).
13717logp(d125, 4.99).
13718logp(d126, 2.29).
13719logp(d127, 3.26).
13720logp(d128, 3.36).
13721logp(d136, 4.66).
13722logp(d137, 4.44).
13723logp(d140, 2.52).
13724logp(d146, 2.68).
13725logp(d148, 3.36).
13726logp(d149, 2.29).
13727logp(d151, 1.75).
13728logp(d152, 4.44).
13729logp(d153, 3.85).
13730logp(d157, 4.19).
13731logp(d159, 4.19).
13732logp(d163, 4.44).
13733logp(d164, 4.44).
13734logp(d165, 4.69).
13735logp(d166, 4.42).
13736logp(d169, 1.49).
13737logp(d171, 3).
13738logp(d172, 2.06).
13739logp(d173, 3.26).
13740logp(d174, 4.44).
13741logp(d177, 2.29).
13742logp(d178, 1.77).
13743logp(d182, 1.99).
13744logp(d183, 4.44).
13745logp(d184, 4.44).
13746logp(d187, 5.41).
13747logp(d190, 2.13).
13748logp(d191, 4.35).
13749logp(d194, 0.88).
13750logp(d197, 1.58).
13751logp(e1, 5.87).
13752logp(e2, 6.16).
13753logp(e27, 5.87).
13754logp(f1, 1.01).
13755logp(f2, 0.96).
13756logp(f3, 0.23).
13757logp(f6, -0.04).
13758logp(d3, 1.86).
13759logp(d5, 1.89).
13760logp(d7, 3.99).
13761logp(d9, 1.64).
13762logp(d14, 1.77).
13763logp(d19, 1.84).
13764logp(d34, 3.24).
13765logp(d36, 3.43).
13766logp(d38, 3.77).
13767logp(d39, 1.87).
13768logp(d40, 3.19).
13769logp(d55, 3.43).
13770logp(d62, 1.36).
13771logp(d65, 2.83).
13772logp(d66, 2.68).
13773logp(d73, 2.68).
13774logp(d76, 2.24).
13775logp(d78, 4.27).
13776logp(d84, 2.61).
13777logp(d88, 1.53).
13778logp(d100, 2.68).
13779logp(d110, 3).
13780logp(d113, 1.84).
13781logp(d116, 1.8).
13782logp(d123, 4.49).
13783logp(d124, 1.89).
13784logp(d129, 1.46).
13785logp(d133, 7.13).
13786logp(d135, 2.74).
13787logp(d139, 2.72).
13788logp(d142, 6.68).
13789logp(d143, 2.35).
13790logp(d150, -0.02).
13791logp(d154, 1.59).
13792logp(d155, 1.72).
13793logp(d156, 1.92).
13794logp(d160, 2.78).
13795logp(d168, 2.03).
13796logp(d175, 7.84).
13797logp(d179, 2.73).
13798logp(d181, 0.53).
13799logp(d185, 1.89).
13800logp(d192, 5.41).
13801logp(d193, 5.41).
13802logp(d195, 3.61).
13803logp(e3, 2.86).
13804logp(e6, 2.5).
13805logp(e7, 2.13).
13806logp(e9, 1.69).
13807logp(e10, 2.13).
13808logp(e11, 1.9).
13809logp(e13, 2.41).
13810logp(e15, 5.41).
13811logp(e16, 3.09).
13812logp(e17, 4.78).
13813logp(e19, 1.38).
13814logp(e20, 1.38).
13815logp(e21, 6.57).
13816logp(e23, 2.55).
13817logp(e24, 5.41).
13818lumo(d8, -1.437).
13819lumo(d16, -2.172).
13820lumo(d21, -1.665).
13821lumo(d22, -1.602).
13822lumo(d23, -2.164).
13823lumo(d29, -2.837).
13824lumo(d30, -2.005).
13825lumo(d32, -2.562).
13826lumo(d33, -1.591).
13827lumo(d35, -1.176).
13828lumo(d37, -1.428).
13829lumo(d44, -1.265).
13830lumo(d47, -1.88).
13831lumo(d74, -1.689).
13832lumo(d81, -1.937).
13833lumo(d85, -2.113).
13834lumo(d91, -2.032).
13835lumo(d92, -1.208).
13836lumo(d93, -1.729).
13837lumo(d97, -1.361).
13838lumo(d99, -2.159).
13839lumo(d102, -3.172).
13840lumo(d103, -1.487).
13841lumo(d106, -1.607).
13842lumo(d108, -1.676).
13843lumo(d118, -1.8).
13844lumo(d121, -2.68).
13845lumo(d134, -1.951).
13846lumo(d145, -1.178).
13847lumo(d158, -1.34).
13848lumo(d161, -2.221).
13849lumo(d162, -2.687).
13850lumo(d167, -2.31).
13851lumo(d170, -2.113).
13852lumo(d176, -1.304).
13853lumo(d180, -2.182).
13854lumo(f4, -1.645).
13855lumo(f5, -1.526).
13856lumo(d2, -1.429).
13857lumo(d17, -0.529).
13858lumo(d42, -1.19).
13859lumo(d70, -1.786).
13860lumo(d77, -1.029).
13861lumo(d89, -1.028).
13862lumo(d98, -1.598).
13863lumo(d111, -1.687).
13864lumo(d114, -1.148).
13865lumo(d119, -1.995).
13866lumo(d120, -0.937).
13867lumo(d130, -0.93).
13868lumo(d131, -1.538).
13869lumo(d132, -1.499).
13870lumo(d138, -1.157).
13871lumo(d141, -1.228).
13872lumo(d144, -1.288).
13873lumo(d147, -0.937).
13874lumo(d186, -0.574).
13875lumo(d188, -0.872).
13876lumo(d189, -3.025).
13877lumo(d196, -1.092).
13878lumo(e4, -0.746).
13879lumo(e5, -1.089).
13880lumo(e8, -1.117).
13881lumo(e12, -1.834).
13882lumo(e14, -1.36).
13883lumo(e18, -1.538).
13884lumo(e22, -1.636).
13885lumo(e25, -1.748).
13886lumo(e26, -1.82).
13887lumo(d1, -1.246).
13888lumo(d4, -1.591).
13889lumo(d6, -3.406).
13890lumo(d10, -1.387).
13891lumo(d11, -1.254).
13892lumo(d12, -1.627).
13893lumo(d13, -2.292).
13894lumo(d15, -1.698).
13895lumo(d18, -1.861).
13896lumo(d20, -1.764).
13897lumo(d24, -1.728).
13898lumo(d25, -1.398).
13899lumo(d26, -2.072).
13900lumo(d27, -1.801).
13901lumo(d28, -1.558).
13902lumo(d31, -2.055).
13903lumo(d41, -1.6).
13904lumo(d43, -1.57).
13905lumo(d45, -2.227).
13906lumo(d46, -1.804).
13907lumo(d48, -1.616).
13908lumo(d49, -2.808).
13909lumo(d50, -1.932).
13910lumo(d51, -2.184).
13911lumo(d52, -2.189).
13912lumo(d53, -2.155).
13913lumo(d54, -1.464).
13914lumo(d56, -2.234).
13915lumo(d57, -2.242).
13916lumo(d58, -1.991).
13917lumo(d59, -2.14).
13918lumo(d60, -2.468).
13919lumo(d61, -1.556).
13920lumo(d63, -3.768).
13921lumo(d64, -2.338).
13922lumo(d67, -1.536).
13923lumo(d68, -1.766).
13924lumo(d69, -1.929).
13925lumo(d71, -2.095).
13926lumo(d72, -1.448).
13927lumo(d75, -1.87).
13928lumo(d79, -1.26).
13929lumo(d80, -1.329).
13930lumo(d82, -2.71).
13931lumo(d83, -1.145).
13932lumo(d86, -1.918).
13933lumo(d87, -1.488).
13934lumo(d90, -1.62).
13935lumo(d94, -1.585).
13936lumo(d95, -2.434).
13937lumo(d96, -2.871).
13938lumo(d101, -1.598).
13939lumo(d104, -1.546).
13940lumo(d105, -1.749).
13941lumo(d107, -2.791).
13942lumo(d109, -2.284).
13943lumo(d112, -1.208).
13944lumo(d115, -1.161).
13945lumo(d117, -2.142).
13946lumo(d122, -1.61).
13947lumo(d125, -1.256).
13948lumo(d126, -2.718).
13949lumo(d127, -2.196).
13950lumo(d128, -2.149).
13951lumo(d136, -1.685).
13952lumo(d137, -2.263).
13953lumo(d140, -1.751).
13954lumo(d146, -1.102).
13955lumo(d148, -2.158).
13956lumo(d149, -2.87).
13957lumo(d151, -1.411).
13958lumo(d152, -2.191).
13959lumo(d153, -1.151).
13960lumo(d157, -1.623).
13961lumo(d159, -1.742).
13962lumo(d163, -1.974).
13963lumo(d164, -2.306).
13964lumo(d165, -1.522).
13965lumo(d166, -1.709).
13966lumo(d169, -2.17).
13967lumo(d171, -2.508).
13968lumo(d172, -1.487).
13969lumo(d173, -2.328).
13970lumo(d174, -2.209).
13971lumo(d177, -2.614).
13972lumo(d178, -1.213).
13973lumo(d182, -1.366).
13974lumo(d183, -2.294).
13975lumo(d184, -2.074).
13976lumo(d187, -1.276).
13977lumo(d190, -0.798).
13978lumo(d191, -2.138).
13979lumo(d194, -0.857).
13980lumo(d197, -1.293).
13981lumo(e1, -1.767).
13982lumo(e2, -1.35).
13983lumo(e27, -1.845).
13984lumo(f1, -1.785).
13985lumo(f2, -1.851).
13986lumo(f3, -1.412).
13987lumo(f6, -1.503).
13988lumo(d3, -1.456).
13989lumo(d5, -1.59).
13990lumo(d7, -1.144).
13991lumo(d9, -0.982).
13992lumo(d14, -1.289).
13993lumo(d19, -1.478).
13994lumo(d34, -1.451).
13995lumo(d36, -1.24).
13996lumo(d38, -1.228).
13997lumo(d39, -1.443).
13998lumo(d40, -1.266).
13999lumo(d55, -1.177).
14000lumo(d62, -0.923).
14001lumo(d65, -1.952).
14002lumo(d66, -0.959).
14003lumo(d73, -0.648).
14004lumo(d76, -1.069).
14005lumo(d78, -1.276).
14006lumo(d84, -1.256).
14007lumo(d88, -1.605).
14008lumo(d100, -1.034).
14009lumo(d110, -2.14).
14010lumo(d113, -1.491).
14011lumo(d116, -1.37).
14012lumo(d123, -1.056).
14013lumo(d124, -1.596).
14014lumo(d129, -1.592).
14015lumo(d133, -1.492).
14016lumo(d135, -1.562).
14017lumo(d139, -1.019).
14018lumo(d142, -1.474).
14019lumo(d143, -1.046).
14020lumo(d150, -0.995).
14021lumo(d154, -1.362).
14022lumo(d155, -1.737).
14023lumo(d156, -0.854).
14024lumo(d160, -1.691).
14025lumo(d168, -1.112).
14026lumo(d175, -1.616).
14027lumo(d179, -1.889).
14028lumo(d181, -0.727).
14029lumo(d185, -2.09).
14030lumo(d192, -1.429).
14031lumo(d193, -1.478).
14032lumo(d195, -1.465).
14033lumo(e3, -0.56).
14034lumo(e6, -0.868).
14035lumo(e7, -1.05).
14036lumo(e9, -1.321).
14037lumo(e10, -1.125).
14038lumo(e11, -1.358).
14039lumo(e13, -1.306).
14040lumo(e15, -1.723).
14041lumo(e16, -1.351).
14042lumo(e17, -1.755).
14043lumo(e19, -1.392).
14044lumo(e20, -1.447).
14045lumo(e21, -1.717).
14046lumo(e23, -1.808).
14047lumo(e24, -1.113).
14048benzene(d1,[d1_6,d1_1,d1_2,d1_3,d1_4,d1_5]).
14049benzene(d1,[d1_5,d1_14,d1_13,d1_12,d1_11,d1_4]).
14050benzene(d1,[d1_20,d1_12,d1_11,d1_17,d1_18,d1_19]).
14051ring_size_6(d1,[d1_6,d1_1,d1_2,d1_3,d1_4,d1_5]).
14052ring_size_6(d1,[d1_5,d1_14,d1_13,d1_12,d1_11,d1_4]).
14053ring_size_6(d1,[d1_20,d1_12,d1_11,d1_17,d1_18,d1_19]).
14054nitro(d1,[d1_19,d1_24,d1_25,d1_26]).
14055phenanthrene(d1,[[d1_6,d1_1,d1_2,d1_3,d1_4,d1_5],[d1_5,d1_14,d1_13,d1_12,d1_11,d1_4],[d1_20,d1_12,d1_11,d1_17,d1_18,d1_19]]).
14056benzene(d4,[d4_6,d4_1,d4_2,d4_3,d4_4,d4_5]).
14057benzene(d4,[d4_9,d4_10,d4_4,d4_3,d4_7,d4_8]).
14058benzene(d4,[d4_16,d4_11,d4_12,d4_13,d4_14,d4_15]).
14059ring_size_6(d4,[d4_6,d4_1,d4_2,d4_3,d4_4,d4_5]).
14060ring_size_6(d4,[d4_9,d4_10,d4_4,d4_3,d4_7,d4_8]).
14061ring_size_6(d4,[d4_16,d4_11,d4_12,d4_13,d4_14,d4_15]).
14062ring_size_5(d4,[d4_5,d4_12,d4_13,d4_10,d4_4]).
14063nitro(d4,[d4_9,d4_17,d4_18,d4_19]).
14064benzene(d6,[d6_6,d6_1,d6_2,d6_3,d6_4,d6_5]).
14065benzene(d6,[d6_9,d6_10,d6_5,d6_4,d6_7,d6_8]).
14066benzene(d6,[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4]).
14067benzene(d6,[d6_8,d6_15,d6_14,d6_16,d6_13,d6_7]).
14068ring_size_6(d6,[d6_6,d6_1,d6_2,d6_3,d6_4,d6_5]).
14069ring_size_6(d6,[d6_9,d6_10,d6_5,d6_4,d6_7,d6_8]).
14070ring_size_6(d6,[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4]).
14071ring_size_6(d6,[d6_8,d6_15,d6_14,d6_16,d6_13,d6_7]).
14072nitro(d6,[d6_16,d6_23,d6_27,d6_28]).
14073nitro(d6,[d6_2,d6_24,d6_29,d6_30]).
14074nitro(d6,[d6_6,d6_33,d6_31,d6_32]).
14075nitro(d6,[d6_15,d6_34,d6_25,d6_26]).
14076phenanthrene(d6,[[d6_8,d6_15,d6_14,d6_16,d6_13,d6_7],[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4],[d6_6,d6_1,d6_2,d6_3,d6_4,d6_5]]).
14077ball3(d6,[[d6_9,d6_10,d6_5,d6_4,d6_7,d6_8],[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4],[d6_6,d6_1,d6_2,d6_3,d6_4,d6_5]]).
14078ball3(d6,[[d6_9,d6_10,d6_5,d6_4,d6_7,d6_8],[d6_8,d6_15,d6_14,d6_16,d6_13,d6_7],[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4]]).
14079benzene(d10,[d10_6,d10_1,d10_2,d10_3,d10_4,d10_5]).
14080benzene(d10,[d10_9,d10_10,d10_11,d10_12,d10_7,d10_8]).
14081ring_size_6(d10,[d10_6,d10_1,d10_2,d10_3,d10_4,d10_5]).
14082ring_size_6(d10,[d10_9,d10_10,d10_11,d10_12,d10_7,d10_8]).
14083ring_size_5(d10,[d10_7,d10_12,d10_4,d10_3,d10_13]).
14084nitro(d10,[d10_1,d10_14,d10_15,d10_16]).
14085benzene(d11,[d11_6,d11_1,d11_2,d11_3,d11_4,d11_5]).
14086benzene(d11,[d11_5,d11_14,d11_13,d11_12,d11_11,d11_4]).
14087benzene(d11,[d11_19,d11_12,d11_11,d11_16,d11_17,d11_18]).
14088ring_size_6(d11,[d11_6,d11_1,d11_2,d11_3,d11_4,d11_5]).
14089ring_size_6(d11,[d11_5,d11_14,d11_13,d11_12,d11_11,d11_4]).
14090ring_size_6(d11,[d11_19,d11_12,d11_11,d11_16,d11_17,d11_18]).
14091nitro(d11,[d11_14,d11_24,d11_25,d11_26]).
14092phenanthrene(d11,[[d11_6,d11_1,d11_2,d11_3,d11_4,d11_5],[d11_5,d11_14,d11_13,d11_12,d11_11,d11_4],[d11_19,d11_12,d11_11,d11_16,d11_17,d11_18]]).
14093benzene(d12,[d12_6,d12_1,d12_2,d12_3,d12_4,d12_5]).
14094benzene(d12,[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4]).
14095benzene(d12,[d12_9,d12_10,d12_22,d12_21,d12_20,d12_17]).
14096benzene(d12,[d12_9,d12_17,d12_16,d12_15,d12_3,d12_4]).
14097ring_size_6(d12,[d12_6,d12_1,d12_2,d12_3,d12_4,d12_5]).
14098ring_size_6(d12,[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4]).
14099ring_size_6(d12,[d12_9,d12_10,d12_22,d12_21,d12_20,d12_17]).
14100ring_size_6(d12,[d12_9,d12_17,d12_16,d12_15,d12_3,d12_4]).
14101nitro(d12,[d12_6,d12_25,d12_26,d12_27]).
14102phenanthrene(d12,[[d12_9,d12_10,d12_22,d12_21,d12_20,d12_17],[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4],[d12_6,d12_1,d12_2,d12_3,d12_4,d12_5]]).
14103ball3(d12,[[d12_9,d12_17,d12_16,d12_15,d12_3,d12_4],[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4],[d12_6,d12_1,d12_2,d12_3,d12_4,d12_5]]).
14104ball3(d12,[[d12_9,d12_17,d12_16,d12_15,d12_3,d12_4],[d12_9,d12_10,d12_22,d12_21,d12_20,d12_17],[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4]]).
14105benzene(d13,[d13_6,d13_1,d13_2,d13_3,d13_4,d13_5]).
14106benzene(d13,[d13_9,d13_10,d13_4,d13_3,d13_7,d13_8]).
14107benzene(d13,[d13_16,d13_11,d13_12,d13_13,d13_14,d13_15]).
14108ring_size_6(d13,[d13_6,d13_1,d13_2,d13_3,d13_4,d13_5]).
14109ring_size_6(d13,[d13_9,d13_10,d13_4,d13_3,d13_7,d13_8]).
14110ring_size_6(d13,[d13_16,d13_11,d13_12,d13_13,d13_14,d13_15]).
14111ring_size_5(d13,[d13_5,d13_12,d13_13,d13_10,d13_4]).
14112nitro(d13,[d13_8,d13_17,d13_19,d13_20]).
14113nitro(d13,[d13_2,d13_18,d13_21,d13_22]).
14114benzene(d15,[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5]).
14115benzene(d15,[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4]).
14116benzene(d15,[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]).
14117benzene(d15,[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3]).
14118ring_size_6(d15,[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5]).
14119ring_size_6(d15,[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4]).
14120ring_size_6(d15,[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]).
14121ring_size_6(d15,[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3]).
14122nitro(d15,[d15_23,d15_26,d15_27,d15_28]).
14123phenanthrene(d15,[[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5],[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4],[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]]).
14124phenanthrene(d15,[[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5],[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3],[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]]).
14125ball3(d15,[[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5],[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4],[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3]]).
14126ball3(d15,[[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4],[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3],[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]]).
14127benzene(d18,[d18_6,d18_1,d18_2,d18_3,d18_4,d18_5]).
14128benzene(d18,[d18_9,d18_10,d18_11,d18_12,d18_7,d18_8]).
14129ring_size_6(d18,[d18_6,d18_1,d18_2,d18_3,d18_4,d18_5]).
14130ring_size_6(d18,[d18_9,d18_10,d18_11,d18_12,d18_7,d18_8]).
14131ring_size_5(d18,[d18_7,d18_12,d18_4,d18_3,d18_13]).
14132nitro(d18,[d18_10,d18_15,d18_16,d18_17]).
14133benzene(d20,[d20_6,d20_1,d20_2,d20_3,d20_4,d20_5]).
14134benzene(d20,[d20_9,d20_10,d20_11,d20_12,d20_7,d20_8]).
14135ring_size_6(d20,[d20_6,d20_1,d20_2,d20_3,d20_4,d20_5]).
14136ring_size_6(d20,[d20_9,d20_10,d20_11,d20_12,d20_7,d20_8]).
14137ring_size_5(d20,[d20_7,d20_12,d20_4,d20_3,d20_13]).
14138nitro(d20,[d20_1,d20_14,d20_15,d20_16]).
14139benzene(d24,[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5]).
14140benzene(d24,[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3]).
14141benzene(d24,[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]).
14142benzene(d24,[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4]).
14143benzene(d24,[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]).
14144benzene(d24,[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]).
14145benzene(d24,[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5]).
14146ring_size_6(d24,[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5]).
14147ring_size_6(d24,[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3]).
14148ring_size_6(d24,[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]).
14149ring_size_6(d24,[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4]).
14150ring_size_6(d24,[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]).
14151ring_size_6(d24,[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]).
14152ring_size_6(d24,[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5]).
14153nitro(d24,[d24_22,d24_36,d24_37,d24_38]).
14154anthracene(d24,[[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]]).
14155anthracene(d24,[[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]]).
14156anthracene(d24,[[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]]).
14157phenanthrene(d24,[[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]]).
14158phenanthrene(d24,[[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]]).
14159phenanthrene(d24,[[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]]).
14160phenanthrene(d24,[[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23],[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]]).
14161phenanthrene(d24,[[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]]).
14162phenanthrene(d24,[[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5],[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]]).
14163ball3(d24,[[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3],[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4]]).
14164ball3(d24,[[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]]).
14165ball3(d24,[[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23],[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]]).
14166ball3(d24,[[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28],[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]]).
14167ball3(d24,[[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5],[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4]]).
14168ball3(d24,[[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5],[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4],[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]]).
14169benzene(d25,[d25_6,d25_1,d25_2,d25_3,d25_4,d25_5]).
14170benzene(d25,[d25_9,d25_10,d25_11,d25_12,d25_7,d25_8]).
14171ring_size_6(d25,[d25_6,d25_1,d25_2,d25_3,d25_4,d25_5]).
14172ring_size_6(d25,[d25_9,d25_10,d25_11,d25_12,d25_7,d25_8]).
14173ring_size_5(d25,[d25_7,d25_12,d25_4,d25_3,d25_13]).
14174nitro(d25,[d25_1,d25_15,d25_16,d25_17]).
14175benzene(d26,[d26_6,d26_1,d26_2,d26_3,d26_4,d26_5]).
14176ring_size_6(d26,[d26_6,d26_1,d26_2,d26_3,d26_4,d26_5]).
14177nitro(d26,[d26_4,d26_11,d26_13,d26_14]).
14178nitro(d26,[d26_2,d26_12,d26_15,d26_16]).
14179benzene(d27,[d27_6,d27_1,d27_2,d27_3,d27_4,d27_5]).
14180benzene(d27,[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3]).
14181benzene(d27,[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]).
14182benzene(d27,[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23]).
14183benzene(d27,[d27_29,d27_22,d27_19,d27_18,d27_27,d27_28]).
14184ring_size_6(d27,[d27_6,d27_1,d27_2,d27_3,d27_4,d27_5]).
14185ring_size_6(d27,[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3]).
14186ring_size_6(d27,[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]).
14187ring_size_6(d27,[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23]).
14188ring_size_6(d27,[d27_29,d27_22,d27_19,d27_18,d27_27,d27_28]).
14189nitro(d27,[d27_29,d27_32,d27_33,d27_34]).
14190anthracene(d27,[[d27_6,d27_1,d27_2,d27_3,d27_4,d27_5],[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3],[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]]).
14191phenanthrene(d27,[[d27_6,d27_1,d27_2,d27_3,d27_4,d27_5],[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3],[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23]]).
14192ball3(d27,[[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3],[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23],[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]]).
14193ball3(d27,[[d27_29,d27_22,d27_19,d27_18,d27_27,d27_28],[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23],[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]]).
14194benzene(d28,[d28_6,d28_1,d28_2,d28_3,d28_4,d28_5]).
14195benzene(d28,[d28_9,d28_10,d28_11,d28_12,d28_7,d28_8]).
14196ring_size_6(d28,[d28_6,d28_1,d28_2,d28_3,d28_4,d28_5]).
14197ring_size_6(d28,[d28_9,d28_10,d28_11,d28_12,d28_7,d28_8]).
14198ring_size_5(d28,[d28_7,d28_12,d28_4,d28_3,d28_13]).
14199nitro(d28,[d28_1,d28_14,d28_15,d28_16]).
14200benzene(d31,[d31_6,d31_1,d31_2,d31_3,d31_4,d31_5]).
14201benzene(d31,[d31_4,d31_13,d31_12,d31_11,d31_10,d31_3]).
14202benzene(d31,[d31_20,d31_15,d31_16,d31_17,d31_18,d31_19]).
14203ring_size_6(d31,[d31_6,d31_1,d31_2,d31_3,d31_4,d31_5]).
14204ring_size_6(d31,[d31_4,d31_13,d31_12,d31_11,d31_10,d31_3]).
14205ring_size_6(d31,[d31_20,d31_15,d31_16,d31_17,d31_18,d31_19]).
14206ring_size_5(d31,[d31_5,d31_15,d31_16,d31_13,d31_4]).
14207nitro(d31,[d31_12,d31_24,d31_26,d31_27]).
14208nitro(d31,[d31_11,d31_25,d31_28,d31_29]).
14209benzene(d41,[d41_6,d41_1,d41_2,d41_3,d41_4,d41_5]).
14210benzene(d41,[d41_15,d41_10,d41_11,d41_12,d41_13,d41_14]).
14211ring_size_6(d41,[d41_6,d41_1,d41_2,d41_3,d41_4,d41_5]).
14212ring_size_6(d41,[d41_15,d41_10,d41_11,d41_12,d41_13,d41_14]).
14213ring_size_5(d41,[d41_4,d41_15,d41_10,d41_19,d41_3]).
14214nitro(d41,[d41_1,d41_23,d41_24,d41_25]).
14215benzene(d43,[d43_6,d43_1,d43_2,d43_3,d43_4,d43_5]).
14216benzene(d43,[d43_4,d43_13,d43_12,d43_11,d43_10,d43_3]).
14217benzene(d43,[d43_21,d43_16,d43_17,d43_18,d43_19,d43_20]).
14218ring_size_6(d43,[d43_6,d43_1,d43_2,d43_3,d43_4,d43_5]).
14219ring_size_6(d43,[d43_4,d43_13,d43_12,d43_11,d43_10,d43_3]).
14220ring_size_6(d43,[d43_21,d43_16,d43_17,d43_18,d43_19,d43_20]).
14221ring_size_5(d43,[d43_5,d43_16,d43_17,d43_13,d43_4]).
14222nitro(d43,[d43_11,d43_25,d43_26,d43_27]).
14223benzene(d45,[d45_6,d45_1,d45_2,d45_3,d45_4,d45_5]).
14224ring_size_6(d45,[d45_6,d45_1,d45_2,d45_3,d45_4,d45_5]).
14225nitro(d45,[d45_5,d45_11,d45_13,d45_14]).
14226nitro(d45,[d45_2,d45_12,d45_15,d45_16]).
14227benzene(d46,[d46_9,d46_10,d46_4,d46_3,d46_7,d46_8]).
14228benzene(d46,[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14]).
14229benzene(d46,[d46_9,d46_14,d46_13,d46_12,d46_11,d46_8]).
14230benzene(d46,[d46_20,d46_15,d46_14,d46_13,d46_18,d46_19]).
14231carbon_6_ring(d46,[d46_6,d46_1,d46_2,d46_3,d46_4,d46_5]).
14232ring_size_6(d46,[d46_6,d46_1,d46_2,d46_3,d46_4,d46_5]).
14233ring_size_6(d46,[d46_9,d46_10,d46_4,d46_3,d46_7,d46_8]).
14234ring_size_6(d46,[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14]).
14235ring_size_6(d46,[d46_9,d46_14,d46_13,d46_12,d46_11,d46_8]).
14236ring_size_6(d46,[d46_20,d46_15,d46_14,d46_13,d46_18,d46_19]).
14237nitro(d46,[d46_20,d46_21,d46_22,d46_23]).
14238phenanthrene(d46,[[d46_9,d46_10,d46_4,d46_3,d46_7,d46_8],[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14],[d46_20,d46_15,d46_14,d46_13,d46_18,d46_19]]).
14239ball3(d46,[[d46_9,d46_14,d46_13,d46_12,d46_11,d46_8],[d46_9,d46_10,d46_4,d46_3,d46_7,d46_8],[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14]]).
14240ball3(d46,[[d46_9,d46_14,d46_13,d46_12,d46_11,d46_8],[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14],[d46_20,d46_15,d46_14,d46_13,d46_18,d46_19]]).
14241benzene(d48,[d48_6,d48_1,d48_2,d48_3,d48_4,d48_5]).
14242benzene(d48,[d48_4,d48_14,d48_13,d48_12,d48_11,d48_3]).
14243benzene(d48,[d48_20,d48_13,d48_12,d48_17,d48_18,d48_19]).
14244ring_size_6(d48,[d48_6,d48_1,d48_2,d48_3,d48_4,d48_5]).
14245ring_size_6(d48,[d48_4,d48_14,d48_13,d48_12,d48_11,d48_3]).
14246ring_size_6(d48,[d48_20,d48_13,d48_12,d48_17,d48_18,d48_19]).
14247nitro(d48,[d48_19,d48_24,d48_25,d48_26]).
14248anthracene(d48,[[d48_6,d48_1,d48_2,d48_3,d48_4,d48_5],[d48_4,d48_14,d48_13,d48_12,d48_11,d48_3],[d48_20,d48_13,d48_12,d48_17,d48_18,d48_19]]).
14249benzene(d49,[d49_6,d49_1,d49_2,d49_3,d49_4,d49_5]).
14250benzene(d49,[d49_15,d49_10,d49_11,d49_12,d49_13,d49_14]).
14251ring_size_6(d49,[d49_6,d49_1,d49_2,d49_3,d49_4,d49_5]).
14252ring_size_6(d49,[d49_15,d49_10,d49_11,d49_12,d49_13,d49_14]).
14253ring_size_6(d49,[d49_4,d49_20,d49_15,d49_10,d49_19,d49_3]).
14254nitro(d49,[d49_13,d49_23,d49_25,d49_26]).
14255nitro(d49,[d49_6,d49_24,d49_27,d49_28]).
14256benzene(d50,[d50_6,d50_1,d50_2,d50_3,d50_4,d50_5]).
14257benzene(d50,[d50_4,d50_13,d50_12,d50_11,d50_10,d50_3]).
14258ring_size_6(d50,[d50_6,d50_1,d50_2,d50_3,d50_4,d50_5]).
14259ring_size_6(d50,[d50_4,d50_13,d50_12,d50_11,d50_10,d50_3]).
14260nitro(d50,[d50_12,d50_17,d50_19,d50_20]).
14261nitro(d50,[d50_2,d50_18,d50_21,d50_22]).
14262benzene(d51,[d51_6,d51_1,d51_2,d51_3,d51_4,d51_5]).
14263benzene(d51,[d51_9,d51_10,d51_4,d51_3,d51_7,d51_8]).
14264benzene(d51,[d51_5,d51_13,d51_12,d51_11,d51_10,d51_4]).
14265benzene(d51,[d51_9,d51_10,d51_11,d51_16,d51_15,d51_14]).
14266carbon_6_ring(d51,[d51_20,d51_13,d51_12,d51_17,d51_18,d51_19]).
14267ring_size_6(d51,[d51_6,d51_1,d51_2,d51_3,d51_4,d51_5]).
14268ring_size_6(d51,[d51_9,d51_10,d51_4,d51_3,d51_7,d51_8]).
14269ring_size_6(d51,[d51_5,d51_13,d51_12,d51_11,d51_10,d51_4]).
14270ring_size_6(d51,[d51_9,d51_10,d51_11,d51_16,d51_15,d51_14]).
14271ring_size_6(d51,[d51_20,d51_13,d51_12,d51_17,d51_18,d51_19]).
14272nitro(d51,[d51_16,d51_21,d51_23,d51_24]).
14273nitro(d51,[d51_2,d51_22,d51_25,d51_26]).
14274ball3(d51,[[d51_9,d51_10,d51_4,d51_3,d51_7,d51_8],[d51_6,d51_1,d51_2,d51_3,d51_4,d51_5],[d51_5,d51_13,d51_12,d51_11,d51_10,d51_4]]).
14275ball3(d51,[[d51_9,d51_10,d51_4,d51_3,d51_7,d51_8],[d51_9,d51_10,d51_11,d51_16,d51_15,d51_14],[d51_5,d51_13,d51_12,d51_11,d51_10,d51_4]]).
14276benzene(d52,[d52_6,d52_1,d52_2,d52_3,d52_4,d52_5]).
14277benzene(d52,[d52_9,d52_10,d52_4,d52_3,d52_7,d52_8]).
14278benzene(d52,[d52_5,d52_13,d52_12,d52_11,d52_10,d52_4]).
14279benzene(d52,[d52_9,d52_10,d52_11,d52_16,d52_15,d52_14]).
14280carbon_6_ring(d52,[d52_20,d52_13,d52_12,d52_17,d52_18,d52_19]).
14281ring_size_6(d52,[d52_6,d52_1,d52_2,d52_3,d52_4,d52_5]).
14282ring_size_6(d52,[d52_9,d52_10,d52_4,d52_3,d52_7,d52_8]).
14283ring_size_6(d52,[d52_5,d52_13,d52_12,d52_11,d52_10,d52_4]).
14284ring_size_6(d52,[d52_9,d52_10,d52_11,d52_16,d52_15,d52_14]).
14285ring_size_6(d52,[d52_20,d52_13,d52_12,d52_17,d52_18,d52_19]).
14286nitro(d52,[d52_16,d52_21,d52_22,d52_23]).
14287nitro(d52,[d52_14,d52_24,d52_25,d52_26]).
14288ball3(d52,[[d52_9,d52_10,d52_4,d52_3,d52_7,d52_8],[d52_6,d52_1,d52_2,d52_3,d52_4,d52_5],[d52_5,d52_13,d52_12,d52_11,d52_10,d52_4]]).
14289ball3(d52,[[d52_9,d52_10,d52_4,d52_3,d52_7,d52_8],[d52_9,d52_10,d52_11,d52_16,d52_15,d52_14],[d52_5,d52_13,d52_12,d52_11,d52_10,d52_4]]).
14290benzene(d53,[d53_6,d53_1,d53_2,d53_3,d53_4,d53_5]).
14291benzene(d53,[d53_15,d53_10,d53_11,d53_12,d53_13,d53_14]).
14292ring_size_6(d53,[d53_6,d53_1,d53_2,d53_3,d53_4,d53_5]).
14293ring_size_6(d53,[d53_15,d53_10,d53_11,d53_12,d53_13,d53_14]).
14294ring_size_5(d53,[d53_4,d53_15,d53_10,d53_19,d53_3]).
14295nitro(d53,[d53_12,d53_22,d53_24,d53_25]).
14296nitro(d53,[d53_1,d53_23,d53_26,d53_27]).
14297benzene(d54,[d54_6,d54_1,d54_2,d54_3,d54_4,d54_5]).
14298benzene(d54,[d54_15,d54_10,d54_11,d54_12,d54_13,d54_14]).
14299ring_size_6(d54,[d54_6,d54_1,d54_2,d54_3,d54_4,d54_5]).
14300ring_size_6(d54,[d54_15,d54_10,d54_11,d54_12,d54_13,d54_14]).
14301ring_size_6(d54,[d54_4,d54_19,d54_15,d54_10,d54_18,d54_3]).
14302nitro(d54,[d54_1,d54_20,d54_21,d54_22]).
14303benzene(d56,[d56_6,d56_1,d56_2,d56_3,d56_4,d56_5]).
14304benzene(d56,[d56_16,d56_11,d56_12,d56_13,d56_14,d56_15]).
14305ring_size_6(d56,[d56_6,d56_1,d56_2,d56_3,d56_4,d56_5]).
14306ring_size_6(d56,[d56_16,d56_11,d56_12,d56_13,d56_14,d56_15]).
14307ring_size_6(d56,[d56_4,d56_21,d56_16,d56_11,d56_20,d56_3]).
14308nitro(d56,[d56_14,d56_24,d56_25,d56_26]).
14309benzene(d57,[d57_6,d57_1,d57_2,d57_3,d57_4,d57_5]).
14310benzene(d57,[d57_16,d57_11,d57_12,d57_13,d57_14,d57_15]).
14311ring_size_6(d57,[d57_6,d57_1,d57_2,d57_3,d57_4,d57_5]).
14312ring_size_6(d57,[d57_16,d57_11,d57_12,d57_13,d57_14,d57_15]).
14313nitro(d57,[d57_16,d57_20,d57_23,d57_24]).
14314nitro(d57,[d57_14,d57_21,d57_25,d57_26]).
14315nitro(d57,[d57_1,d57_22,d57_27,d57_28]).
14316benzene(d58,[d58_6,d58_1,d58_2,d58_3,d58_4,d58_5]).
14317benzene(d58,[d58_9,d58_10,d58_4,d58_3,d58_7,d58_8]).
14318benzene(d58,[d58_9,d58_10,d58_11,d58_16,d58_15,d58_14]).
14319carbon_6_ring(d58,[d58_5,d58_13,d58_12,d58_11,d58_10,d58_4]).
14320ring_size_6(d58,[d58_6,d58_1,d58_2,d58_3,d58_4,d58_5]).
14321ring_size_6(d58,[d58_9,d58_10,d58_4,d58_3,d58_7,d58_8]).
14322ring_size_6(d58,[d58_5,d58_13,d58_12,d58_11,d58_10,d58_4]).
14323ring_size_6(d58,[d58_9,d58_10,d58_11,d58_16,d58_15,d58_14]).
14324nitro(d58,[d58_14,d58_17,d58_18,d58_19]).
14325benzene(d59,[d59_6,d59_1,d59_2,d59_3,d59_4,d59_5]).
14326benzene(d59,[d59_9,d59_10,d59_3,d59_2,d59_7,d59_8]).
14327benzene(d59,[d59_9,d59_10,d59_14,d59_13,d59_12,d59_11]).
14328benzene(d59,[d59_18,d59_13,d59_12,d59_15,d59_16,d59_17]).
14329carbon_5_aromatic_ring(d59,[d59_20,d59_18,d59_13,d59_14,d59_19]).
14330ring_size_6(d59,[d59_6,d59_1,d59_2,d59_3,d59_4,d59_5]).
14331ring_size_6(d59,[d59_9,d59_10,d59_3,d59_2,d59_7,d59_8]).
14332ring_size_6(d59,[d59_9,d59_10,d59_14,d59_13,d59_12,d59_11]).
14333ring_size_6(d59,[d59_18,d59_13,d59_12,d59_15,d59_16,d59_17]).
14334ring_size_5(d59,[d59_20,d59_18,d59_13,d59_14,d59_19]).
14335nitro(d59,[d59_20,d59_32,d59_33,d59_34]).
14336anthracene(d59,[[d59_9,d59_10,d59_3,d59_2,d59_7,d59_8],[d59_9,d59_10,d59_14,d59_13,d59_12,d59_11],[d59_18,d59_13,d59_12,d59_15,d59_16,d59_17]]).
14337benzene(d60,[d60_6,d60_1,d60_2,d60_3,d60_4,d60_5]).
14338benzene(d60,[d60_4,d60_13,d60_12,d60_11,d60_10,d60_3]).
14339ring_size_6(d60,[d60_6,d60_1,d60_2,d60_3,d60_4,d60_5]).
14340ring_size_6(d60,[d60_4,d60_13,d60_12,d60_11,d60_10,d60_3]).
14341nitro(d60,[d60_13,d60_16,d60_21,d60_22]).
14342nitro(d60,[d60_11,d60_17,d60_23,d60_24]).
14343nitro(d60,[d60_5,d60_18,d60_19,d60_20]).
14344benzene(d61,[d61_6,d61_1,d61_2,d61_3,d61_4,d61_5]).
14345benzene(d61,[d61_15,d61_10,d61_11,d61_12,d61_13,d61_14]).
14346ring_size_6(d61,[d61_6,d61_1,d61_2,d61_3,d61_4,d61_5]).
14347ring_size_6(d61,[d61_15,d61_10,d61_11,d61_12,d61_13,d61_14]).
14348ring_size_5(d61,[d61_4,d61_15,d61_10,d61_19,d61_3]).
14349nitro(d61,[d61_1,d61_23,d61_24,d61_25]).
14350carbon_5_aromatic_ring(d63,[d63_20,d63_16,d63_17,d63_18,d63_19]).
14351hetero_aromatic_5_ring(d63,[d63_5,d63_1,d63_2,d63_3,d63_4]).
14352ring_size_5(d63,[d63_5,d63_1,d63_2,d63_3,d63_4]).
14353ring_size_5(d63,[d63_20,d63_16,d63_17,d63_18,d63_19]).
14354nitro(d63,[d63_1,d63_6,d63_7,d63_8]).
14355nitro(d63,[d63_19,d63_21,d63_22,d63_23]).
14356benzene(d64,[d64_6,d64_1,d64_2,d64_3,d64_4,d64_5]).
14357benzene(d64,[d64_15,d64_10,d64_11,d64_12,d64_13,d64_14]).
14358ring_size_6(d64,[d64_6,d64_1,d64_2,d64_3,d64_4,d64_5]).
14359ring_size_6(d64,[d64_15,d64_10,d64_11,d64_12,d64_13,d64_14]).
14360ring_size_5(d64,[d64_4,d64_15,d64_10,d64_19,d64_3]).
14361nitro(d64,[d64_12,d64_20,d64_24,d64_25]).
14362nitro(d64,[d64_1,d64_21,d64_22,d64_23]).
14363benzene(d67,[d67_6,d67_1,d67_2,d67_3,d67_4,d67_5]).
14364benzene(d67,[d67_4,d67_13,d67_12,d67_11,d67_10,d67_3]).
14365benzene(d67,[d67_20,d67_15,d67_16,d67_17,d67_18,d67_19]).
14366ring_size_6(d67,[d67_6,d67_1,d67_2,d67_3,d67_4,d67_5]).
14367ring_size_6(d67,[d67_4,d67_13,d67_12,d67_11,d67_10,d67_3]).
14368ring_size_6(d67,[d67_20,d67_15,d67_16,d67_17,d67_18,d67_19]).
14369ring_size_5(d67,[d67_5,d67_15,d67_16,d67_13,d67_4]).
14370nitro(d67,[d67_12,d67_24,d67_26,d67_27]).
14371benzene(d68,[d68_6,d68_1,d68_2,d68_3,d68_4,d68_5]).
14372benzene(d68,[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3]).
14373benzene(d68,[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]).
14374benzene(d68,[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23]).
14375benzene(d68,[d68_29,d68_22,d68_19,d68_18,d68_27,d68_28]).
14376ring_size_6(d68,[d68_6,d68_1,d68_2,d68_3,d68_4,d68_5]).
14377ring_size_6(d68,[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3]).
14378ring_size_6(d68,[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]).
14379ring_size_6(d68,[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23]).
14380ring_size_6(d68,[d68_29,d68_22,d68_19,d68_18,d68_27,d68_28]).
14381nitro(d68,[d68_27,d68_32,d68_33,d68_34]).
14382anthracene(d68,[[d68_6,d68_1,d68_2,d68_3,d68_4,d68_5],[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3],[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]]).
14383phenanthrene(d68,[[d68_6,d68_1,d68_2,d68_3,d68_4,d68_5],[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3],[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23]]).
14384ball3(d68,[[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3],[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23],[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]]).
14385ball3(d68,[[d68_29,d68_22,d68_19,d68_18,d68_27,d68_28],[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23],[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]]).
14386benzene(d69,[d69_6,d69_1,d69_2,d69_3,d69_4,d69_5]).
14387benzene(d69,[d69_15,d69_10,d69_11,d69_12,d69_13,d69_14]).
14388ring_size_6(d69,[d69_6,d69_1,d69_2,d69_3,d69_4,d69_5]).
14389ring_size_6(d69,[d69_15,d69_10,d69_11,d69_12,d69_13,d69_14]).
14390ring_size_5(d69,[d69_4,d69_15,d69_10,d69_19,d69_3]).
14391nitro(d69,[d69_12,d69_22,d69_26,d69_27]).
14392nitro(d69,[d69_5,d69_23,d69_24,d69_25]).
14393benzene(d71,[d71_6,d71_1,d71_2,d71_3,d71_4,d71_5]).
14394benzene(d71,[d71_9,d71_10,d71_4,d71_3,d71_7,d71_8]).
14395benzene(d71,[d71_5,d71_13,d71_12,d71_11,d71_10,d71_4]).
14396benzene(d71,[d71_9,d71_10,d71_11,d71_16,d71_15,d71_14]).
14397carbon_6_ring(d71,[d71_20,d71_13,d71_12,d71_17,d71_18,d71_19]).
14398ring_size_6(d71,[d71_6,d71_1,d71_2,d71_3,d71_4,d71_5]).
14399ring_size_6(d71,[d71_9,d71_10,d71_4,d71_3,d71_7,d71_8]).
14400ring_size_6(d71,[d71_5,d71_13,d71_12,d71_11,d71_10,d71_4]).
14401ring_size_6(d71,[d71_9,d71_10,d71_11,d71_16,d71_15,d71_14]).
14402ring_size_6(d71,[d71_20,d71_13,d71_12,d71_17,d71_18,d71_19]).
14403nitro(d71,[d71_16,d71_21,d71_23,d71_24]).
14404nitro(d71,[d71_6,d71_22,d71_25,d71_26]).
14405ball3(d71,[[d71_9,d71_10,d71_4,d71_3,d71_7,d71_8],[d71_6,d71_1,d71_2,d71_3,d71_4,d71_5],[d71_5,d71_13,d71_12,d71_11,d71_10,d71_4]]).
14406ball3(d71,[[d71_9,d71_10,d71_4,d71_3,d71_7,d71_8],[d71_9,d71_10,d71_11,d71_16,d71_15,d71_14],[d71_5,d71_13,d71_12,d71_11,d71_10,d71_4]]).
14407benzene(d72,[d72_6,d72_1,d72_2,d72_3,d72_4,d72_5]).
14408benzene(d72,[d72_16,d72_11,d72_12,d72_13,d72_14,d72_15]).
14409ring_size_6(d72,[d72_6,d72_1,d72_2,d72_3,d72_4,d72_5]).
14410ring_size_6(d72,[d72_16,d72_11,d72_12,d72_13,d72_14,d72_15]).
14411ring_size_5(d72,[d72_4,d72_16,d72_11,d72_20,d72_3]).
14412nitro(d72,[d72_13,d72_23,d72_24,d72_25]).
14413benzene(d75,[d75_6,d75_1,d75_2,d75_3,d75_4,d75_5]).
14414benzene(d75,[d75_16,d75_11,d75_12,d75_13,d75_14,d75_15]).
14415ring_size_6(d75,[d75_6,d75_1,d75_2,d75_3,d75_4,d75_5]).
14416ring_size_6(d75,[d75_16,d75_11,d75_12,d75_13,d75_14,d75_15]).
14417nitro(d75,[d75_14,d75_21,d75_23,d75_24]).
14418nitro(d75,[d75_1,d75_22,d75_25,d75_26]).
14419benzene(d79,[d79_6,d79_1,d79_2,d79_3,d79_4,d79_5]).
14420benzene(d79,[d79_16,d79_11,d79_12,d79_13,d79_14,d79_15]).
14421ring_size_6(d79,[d79_6,d79_1,d79_2,d79_3,d79_4,d79_5]).
14422ring_size_6(d79,[d79_16,d79_11,d79_12,d79_13,d79_14,d79_15]).
14423ring_size_6(d79,[d79_4,d79_21,d79_16,d79_11,d79_20,d79_3]).
14424nitro(d79,[d79_14,d79_22,d79_23,d79_24]).
14425benzene(d80,[d80_6,d80_1,d80_2,d80_3,d80_4,d80_5]).
14426benzene(d80,[d80_4,d80_13,d80_12,d80_11,d80_10,d80_3]).
14427benzene(d80,[d80_22,d80_17,d80_18,d80_19,d80_20,d80_21]).
14428ring_size_6(d80,[d80_6,d80_1,d80_2,d80_3,d80_4,d80_5]).
14429ring_size_6(d80,[d80_4,d80_13,d80_12,d80_11,d80_10,d80_3]).
14430ring_size_6(d80,[d80_22,d80_17,d80_18,d80_19,d80_20,d80_21]).
14431ring_size_5(d80,[d80_5,d80_17,d80_18,d80_13,d80_4]).
14432nitro(d80,[d80_22,d80_26,d80_27,d80_28]).
14433benzene(d82,[d82_6,d82_1,d82_2,d82_3,d82_4,d82_5]).
14434benzene(d82,[d82_9,d82_10,d82_11,d82_12,d82_4,d82_3]).
14435benzene(d82,[d82_19,d82_14,d82_15,d82_16,d82_17,d82_18]).
14436ring_size_6(d82,[d82_6,d82_1,d82_2,d82_3,d82_4,d82_5]).
14437ring_size_6(d82,[d82_9,d82_10,d82_11,d82_12,d82_4,d82_3]).
14438ring_size_6(d82,[d82_19,d82_14,d82_15,d82_16,d82_17,d82_18]).
14439ring_size_5(d82,[d82_5,d82_14,d82_15,d82_12,d82_4]).
14440nitro(d82,[d82_11,d82_24,d82_27,d82_28]).
14441nitro(d82,[d82_10,d82_25,d82_29,d82_30]).
14442nitro(d82,[d82_2,d82_26,d82_31,d82_32]).
14443benzene(d83,[d83_6,d83_1,d83_2,d83_3,d83_4,d83_5]).
14444benzene(d83,[d83_9,d83_10,d83_11,d83_12,d83_7,d83_8]).
14445hetero_aromatic_5_ring(d83,[d83_7,d83_12,d83_4,d83_3,d83_13]).
14446ring_size_6(d83,[d83_6,d83_1,d83_2,d83_3,d83_4,d83_5]).
14447ring_size_6(d83,[d83_9,d83_10,d83_11,d83_12,d83_7,d83_8]).
14448ring_size_5(d83,[d83_7,d83_12,d83_4,d83_3,d83_13]).
14449nitro(d83,[d83_9,d83_14,d83_15,d83_16]).
14450benzene(d86,[d86_6,d86_1,d86_2,d86_3,d86_4,d86_5]).
14451benzene(d86,[d86_9,d86_10,d86_5,d86_4,d86_7,d86_8]).
14452benzene(d86,[d86_8,d86_14,d86_13,d86_12,d86_11,d86_7]).
14453benzene(d86,[d86_18,d86_13,d86_12,d86_15,d86_16,d86_17]).
14454carbon_5_aromatic_ring(d86,[d86_9,d86_19,d86_20,d86_14,d86_8]).
14455ring_size_6(d86,[d86_6,d86_1,d86_2,d86_3,d86_4,d86_5]).
14456ring_size_6(d86,[d86_9,d86_10,d86_5,d86_4,d86_7,d86_8]).
14457ring_size_6(d86,[d86_8,d86_14,d86_13,d86_12,d86_11,d86_7]).
14458ring_size_6(d86,[d86_18,d86_13,d86_12,d86_15,d86_16,d86_17]).
14459ring_size_5(d86,[d86_9,d86_19,d86_20,d86_14,d86_8]).
14460nitro(d86,[d86_10,d86_32,d86_33,d86_34]).
14461anthracene(d86,[[d86_9,d86_10,d86_5,d86_4,d86_7,d86_8],[d86_8,d86_14,d86_13,d86_12,d86_11,d86_7],[d86_18,d86_13,d86_12,d86_15,d86_16,d86_17]]).
14462benzene(d87,[d87_6,d87_1,d87_2,d87_3,d87_4,d87_5]).
14463benzene(d87,[d87_9,d87_10,d87_11,d87_12,d87_7,d87_8]).
14464hetero_aromatic_5_ring(d87,[d87_7,d87_12,d87_4,d87_3,d87_13]).
14465ring_size_6(d87,[d87_6,d87_1,d87_2,d87_3,d87_4,d87_5]).
14466ring_size_6(d87,[d87_9,d87_10,d87_11,d87_12,d87_7,d87_8]).
14467ring_size_5(d87,[d87_7,d87_12,d87_4,d87_3,d87_13]).
14468nitro(d87,[d87_9,d87_14,d87_15,d87_16]).
14469benzene(d90,[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5]).
14470benzene(d90,[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3]).
14471benzene(d90,[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]).
14472benzene(d90,[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4]).
14473benzene(d90,[d90_27,d90_18,d90_17,d90_24,d90_25,d90_26]).
14474ring_size_6(d90,[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5]).
14475ring_size_6(d90,[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3]).
14476ring_size_6(d90,[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]).
14477ring_size_6(d90,[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4]).
14478ring_size_6(d90,[d90_27,d90_18,d90_17,d90_24,d90_25,d90_26]).
14479nitro(d90,[d90_21,d90_32,d90_33,d90_34]).
14480phenanthrene(d90,[[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5],[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3],[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]]).
14481phenanthrene(d90,[[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5],[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4],[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]]).
14482phenanthrene(d90,[[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5],[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4],[d90_27,d90_18,d90_17,d90_24,d90_25,d90_26]]).
14483ball3(d90,[[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5],[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4],[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3]]).
14484ball3(d90,[[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4],[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3],[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]]).
14485benzene(d94,[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5]).
14486benzene(d94,[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3]).
14487benzene(d94,[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]).
14488benzene(d94,[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4]).
14489ring_size_6(d94,[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5]).
14490ring_size_6(d94,[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3]).
14491ring_size_6(d94,[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]).
14492ring_size_6(d94,[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4]).
14493nitro(d94,[d94_11,d94_26,d94_27,d94_28]).
14494phenanthrene(d94,[[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5],[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3],[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]]).
14495phenanthrene(d94,[[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5],[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4],[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]]).
14496ball3(d94,[[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5],[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4],[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3]]).
14497ball3(d94,[[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4],[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3],[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]]).
14498benzene(d95,[d95_6,d95_1,d95_2,d95_3,d95_4,d95_5]).
14499benzene(d95,[d95_4,d95_13,d95_12,d95_11,d95_10,d95_3]).
14500ring_size_6(d95,[d95_6,d95_1,d95_2,d95_3,d95_4,d95_5]).
14501ring_size_6(d95,[d95_4,d95_13,d95_12,d95_11,d95_10,d95_3]).
14502nitro(d95,[d95_12,d95_16,d95_19,d95_20]).
14503nitro(d95,[d95_11,d95_17,d95_21,d95_22]).
14504nitro(d95,[d95_2,d95_18,d95_23,d95_24]).
14505benzene(d96,[d96_6,d96_1,d96_2,d96_3,d96_4,d96_5]).
14506benzene(d96,[d96_9,d96_10,d96_11,d96_12,d96_4,d96_3]).
14507benzene(d96,[d96_22,d96_15,d96_12,d96_11,d96_20,d96_21]).
14508benzene(d96,[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4]).
14509ring_size_6(d96,[d96_6,d96_1,d96_2,d96_3,d96_4,d96_5]).
14510ring_size_6(d96,[d96_9,d96_10,d96_11,d96_12,d96_4,d96_3]).
14511ring_size_6(d96,[d96_22,d96_15,d96_12,d96_11,d96_20,d96_21]).
14512ring_size_6(d96,[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4]).
14513nitro(d96,[d96_22,d96_24,d96_27,d96_28]).
14514nitro(d96,[d96_20,d96_25,d96_29,d96_30]).
14515nitro(d96,[d96_2,d96_26,d96_31,d96_32]).
14516phenanthrene(d96,[[d96_6,d96_1,d96_2,d96_3,d96_4,d96_5],[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4],[d96_22,d96_15,d96_12,d96_11,d96_20,d96_21]]).
14517ball3(d96,[[d96_9,d96_10,d96_11,d96_12,d96_4,d96_3],[d96_6,d96_1,d96_2,d96_3,d96_4,d96_5],[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4]]).
14518ball3(d96,[[d96_9,d96_10,d96_11,d96_12,d96_4,d96_3],[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4],[d96_22,d96_15,d96_12,d96_11,d96_20,d96_21]]).
14519benzene(d101,[d101_6,d101_1,d101_2,d101_3,d101_4,d101_5]).
14520benzene(d101,[d101_9,d101_10,d101_4,d101_3,d101_7,d101_8]).
14521benzene(d101,[d101_5,d101_13,d101_12,d101_11,d101_10,d101_4]).
14522benzene(d101,[d101_9,d101_10,d101_11,d101_16,d101_15,d101_14]).
14523carbon_6_ring(d101,[d101_20,d101_13,d101_12,d101_17,d101_18,d101_19]).
14524ring_size_6(d101,[d101_6,d101_1,d101_2,d101_3,d101_4,d101_5]).
14525ring_size_6(d101,[d101_9,d101_10,d101_4,d101_3,d101_7,d101_8]).
14526ring_size_6(d101,[d101_5,d101_13,d101_12,d101_11,d101_10,d101_4]).
14527ring_size_6(d101,[d101_9,d101_10,d101_11,d101_16,d101_15,d101_14]).
14528ring_size_6(d101,[d101_20,d101_13,d101_12,d101_17,d101_18,d101_19]).
14529nitro(d101,[d101_14,d101_21,d101_22,d101_23]).
14530ball3(d101,[[d101_9,d101_10,d101_4,d101_3,d101_7,d101_8],[d101_6,d101_1,d101_2,d101_3,d101_4,d101_5],[d101_5,d101_13,d101_12,d101_11,d101_10,d101_4]]).
14531ball3(d101,[[d101_9,d101_10,d101_4,d101_3,d101_7,d101_8],[d101_9,d101_10,d101_11,d101_16,d101_15,d101_14],[d101_5,d101_13,d101_12,d101_11,d101_10,d101_4]]).
14532benzene(d104,[d104_6,d104_1,d104_2,d104_3,d104_4,d104_5]).
14533benzene(d104,[d104_9,d104_10,d104_4,d104_3,d104_7,d104_8]).
14534benzene(d104,[d104_5,d104_13,d104_12,d104_11,d104_10,d104_4]).
14535benzene(d104,[d104_9,d104_10,d104_11,d104_16,d104_15,d104_14]).
14536carbon_6_ring(d104,[d104_20,d104_13,d104_12,d104_17,d104_18,d104_19]).
14537ring_size_6(d104,[d104_6,d104_1,d104_2,d104_3,d104_4,d104_5]).
14538ring_size_6(d104,[d104_9,d104_10,d104_4,d104_3,d104_7,d104_8]).
14539ring_size_6(d104,[d104_5,d104_13,d104_12,d104_11,d104_10,d104_4]).
14540ring_size_6(d104,[d104_9,d104_10,d104_11,d104_16,d104_15,d104_14]).
14541ring_size_6(d104,[d104_20,d104_13,d104_12,d104_17,d104_18,d104_19]).
14542nitro(d104,[d104_16,d104_21,d104_22,d104_23]).
14543ball3(d104,[[d104_9,d104_10,d104_4,d104_3,d104_7,d104_8],[d104_6,d104_1,d104_2,d104_3,d104_4,d104_5],[d104_5,d104_13,d104_12,d104_11,d104_10,d104_4]]).
14544ball3(d104,[[d104_9,d104_10,d104_4,d104_3,d104_7,d104_8],[d104_9,d104_10,d104_11,d104_16,d104_15,d104_14],[d104_5,d104_13,d104_12,d104_11,d104_10,d104_4]]).
14545benzene(d105,[d105_6,d105_1,d105_2,d105_3,d105_4,d105_5]).
14546hetero_aromatic_6_ring(d105,[d105_5,d105_13,d105_12,d105_11,d105_10,d105_4]).
14547hetero_aromatic_6_ring(d105,[d105_18,d105_11,d105_10,d105_15,d105_16,d105_17]).
14548ring_size_6(d105,[d105_6,d105_1,d105_2,d105_3,d105_4,d105_5]).
14549ring_size_6(d105,[d105_5,d105_13,d105_12,d105_11,d105_10,d105_4]).
14550ring_size_6(d105,[d105_18,d105_11,d105_10,d105_15,d105_16,d105_17]).
14551nitro(d105,[d105_3,d105_22,d105_23,d105_24]).
14552benzene(d107,[d107_6,d107_1,d107_2,d107_3,d107_4,d107_5]).
14553benzene(d107,[d107_9,d107_10,d107_11,d107_12,d107_4,d107_3]).
14554benzene(d107,[d107_19,d107_14,d107_15,d107_16,d107_17,d107_18]).
14555ring_size_6(d107,[d107_6,d107_1,d107_2,d107_3,d107_4,d107_5]).
14556ring_size_6(d107,[d107_9,d107_10,d107_11,d107_12,d107_4,d107_3]).
14557ring_size_6(d107,[d107_19,d107_14,d107_15,d107_16,d107_17,d107_18]).
14558ring_size_5(d107,[d107_5,d107_14,d107_15,d107_12,d107_4]).
14559nitro(d107,[d107_10,d107_24,d107_31,d107_32]).
14560nitro(d107,[d107_9,d107_25,d107_29,d107_30]).
14561nitro(d107,[d107_1,d107_26,d107_27,d107_28]).
14562benzene(d109,[d109_6,d109_1,d109_2,d109_3,d109_4,d109_5]).
14563benzene(d109,[d109_9,d109_10,d109_15,d109_19,d109_18,d109_14]).
14564benzene(d109,[d109_6,d109_17,d109_16,d109_15,d109_10,d109_5]).
14565benzene(d109,[d109_9,d109_14,d109_13,d109_12,d109_11,d109_8]).
14566benzene(d109,[d109_8,d109_11,d109_22,d109_21,d109_20,d109_7]).
14567carbon_6_ring(d109,[d109_9,d109_10,d109_5,d109_4,d109_7,d109_8]).
14568ring_size_6(d109,[d109_6,d109_1,d109_2,d109_3,d109_4,d109_5]).
14569ring_size_6(d109,[d109_9,d109_10,d109_5,d109_4,d109_7,d109_8]).
14570ring_size_6(d109,[d109_9,d109_10,d109_15,d109_19,d109_18,d109_14]).
14571ring_size_6(d109,[d109_6,d109_17,d109_16,d109_15,d109_10,d109_5]).
14572ring_size_6(d109,[d109_9,d109_14,d109_13,d109_12,d109_11,d109_8]).
14573ring_size_6(d109,[d109_8,d109_11,d109_22,d109_21,d109_20,d109_7]).
14574nitro(d109,[d109_22,d109_23,d109_25,d109_26]).
14575nitro(d109,[d109_1,d109_24,d109_27,d109_28]).
14576phenanthrene(d109,[[d109_9,d109_10,d109_15,d109_19,d109_18,d109_14],[d109_6,d109_17,d109_16,d109_15,d109_10,d109_5],[d109_6,d109_1,d109_2,d109_3,d109_4,d109_5]]).
14577phenanthrene(d109,[[d109_9,d109_14,d109_13,d109_12,d109_11,d109_8],[d109_9,d109_10,d109_15,d109_19,d109_18,d109_14],[d109_6,d109_17,d109_16,d109_15,d109_10,d109_5]]).
14578benzene(d112,[d112_6,d112_1,d112_2,d112_3,d112_4,d112_5]).
14579benzene(d112,[d112_4,d112_13,d112_12,d112_11,d112_10,d112_3]).
14580ring_size_6(d112,[d112_6,d112_1,d112_2,d112_3,d112_4,d112_5]).
14581ring_size_6(d112,[d112_4,d112_13,d112_12,d112_11,d112_10,d112_3]).
14582ring_size_5(d112,[d112_5,d112_16,d112_17,d112_13,d112_4]).
14583nitro(d112,[d112_12,d112_22,d112_23,d112_24]).
14584benzene(d115,[d115_6,d115_1,d115_2,d115_3,d115_4,d115_5]).
14585ring_size_6(d115,[d115_6,d115_1,d115_2,d115_3,d115_4,d115_5]).
14586ring_size_5(d115,[d115_4,d115_14,d115_11,d115_10,d115_3]).
14587nitro(d115,[d115_6,d115_17,d115_18,d115_19]).
14588benzene(d117,[d117_6,d117_1,d117_2,d117_3,d117_4,d117_5]).
14589benzene(d117,[d117_16,d117_11,d117_12,d117_13,d117_14,d117_15]).
14590ring_size_6(d117,[d117_6,d117_1,d117_2,d117_3,d117_4,d117_5]).
14591ring_size_6(d117,[d117_16,d117_11,d117_12,d117_13,d117_14,d117_15]).
14592nitro(d117,[d117_16,d117_20,d117_25,d117_26]).
14593nitro(d117,[d117_14,d117_21,d117_27,d117_28]).
14594nitro(d117,[d117_6,d117_22,d117_23,d117_24]).
14595benzene(d122,[d122_6,d122_1,d122_2,d122_3,d122_4,d122_5]).
14596benzene(d122,[d122_4,d122_14,d122_13,d122_12,d122_11,d122_3]).
14597benzene(d122,[d122_19,d122_14,d122_13,d122_16,d122_17,d122_18]).
14598benzene(d122,[d122_25,d122_17,d122_16,d122_22,d122_23,d122_24]).
14599ring_size_6(d122,[d122_6,d122_1,d122_2,d122_3,d122_4,d122_5]).
14600ring_size_6(d122,[d122_4,d122_14,d122_13,d122_12,d122_11,d122_3]).
14601ring_size_6(d122,[d122_19,d122_14,d122_13,d122_16,d122_17,d122_18]).
14602ring_size_6(d122,[d122_25,d122_17,d122_16,d122_22,d122_23,d122_24]).
14603nitro(d122,[d122_11,d122_30,d122_31,d122_32]).
14604phenanthrene(d122,[[d122_6,d122_1,d122_2,d122_3,d122_4,d122_5],[d122_4,d122_14,d122_13,d122_12,d122_11,d122_3],[d122_19,d122_14,d122_13,d122_16,d122_17,d122_18]]).
14605benzene(d125,[d125_6,d125_1,d125_2,d125_3,d125_4,d125_5]).
14606benzene(d125,[d125_5,d125_13,d125_12,d125_11,d125_10,d125_4]).
14607benzene(d125,[d125_9,d125_10,d125_11,d125_16,d125_15,d125_14]).
14608carbon_6_ring(d125,[d125_9,d125_10,d125_4,d125_3,d125_7,d125_8]).
14609ring_size_6(d125,[d125_6,d125_1,d125_2,d125_3,d125_4,d125_5]).
14610ring_size_6(d125,[d125_9,d125_10,d125_4,d125_3,d125_7,d125_8]).
14611ring_size_6(d125,[d125_5,d125_13,d125_12,d125_11,d125_10,d125_4]).
14612ring_size_6(d125,[d125_9,d125_10,d125_11,d125_16,d125_15,d125_14]).
14613nitro(d125,[d125_15,d125_17,d125_29,d125_30]).
14614benzene(d126,[d126_6,d126_1,d126_2,d126_3,d126_4,d126_5]).
14615benzene(d126,[d126_17,d126_12,d126_11,d126_14,d126_15,d126_16]).
14616ring_size_6(d126,[d126_6,d126_1,d126_2,d126_3,d126_4,d126_5]).
14617ring_size_6(d126,[d126_4,d126_13,d126_12,d126_11,d126_10,d126_3]).
14618ring_size_6(d126,[d126_17,d126_12,d126_11,d126_14,d126_15,d126_16]).
14619nitro(d126,[d126_17,d126_23,d126_25,d126_26]).
14620nitro(d126,[d126_1,d126_24,d126_27,d126_28]).
14621benzene(d127,[d127_6,d127_1,d127_2,d127_3,d127_4,d127_5]).
14622benzene(d127,[d127_16,d127_11,d127_12,d127_13,d127_14,d127_15]).
14623ring_size_6(d127,[d127_6,d127_1,d127_2,d127_3,d127_4,d127_5]).
14624ring_size_6(d127,[d127_16,d127_11,d127_12,d127_13,d127_14,d127_15]).
14625nitro(d127,[d127_15,d127_20,d127_23,d127_24]).
14626nitro(d127,[d127_6,d127_21,d127_27,d127_28]).
14627nitro(d127,[d127_14,d127_22,d127_25,d127_26]).
14628benzene(d128,[d128_6,d128_1,d128_2,d128_3,d128_4,d128_5]).
14629benzene(d128,[d128_9,d128_10,d128_4,d128_3,d128_7,d128_8]).
14630carbon_5_aromatic_ring(d128,[d128_5,d128_11,d128_12,d128_10,d128_4]).
14631ring_size_6(d128,[d128_6,d128_1,d128_2,d128_3,d128_4,d128_5]).
14632ring_size_6(d128,[d128_9,d128_10,d128_4,d128_3,d128_7,d128_8]).
14633ring_size_5(d128,[d128_5,d128_11,d128_12,d128_10,d128_4]).
14634nitro(d128,[d128_7,d128_20,d128_21,d128_22]).
14635benzene(d136,[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5]).
14636benzene(d136,[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3]).
14637benzene(d136,[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]).
14638benzene(d136,[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4]).
14639ring_size_6(d136,[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5]).
14640ring_size_6(d136,[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3]).
14641ring_size_6(d136,[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]).
14642ring_size_6(d136,[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4]).
14643nitro(d136,[d136_21,d136_26,d136_27,d136_28]).
14644phenanthrene(d136,[[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5],[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3],[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]]).
14645phenanthrene(d136,[[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5],[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4],[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]]).
14646ball3(d136,[[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5],[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4],[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3]]).
14647ball3(d136,[[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4],[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3],[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]]).
14648benzene(d137,[d137_6,d137_1,d137_2,d137_3,d137_4,d137_5]).
14649benzene(d137,[d137_4,d137_13,d137_12,d137_11,d137_10,d137_3]).
14650benzene(d137,[d137_20,d137_15,d137_16,d137_17,d137_18,d137_19]).
14651ring_size_6(d137,[d137_6,d137_1,d137_2,d137_3,d137_4,d137_5]).
14652ring_size_6(d137,[d137_4,d137_13,d137_12,d137_11,d137_10,d137_3]).
14653ring_size_6(d137,[d137_20,d137_15,d137_16,d137_17,d137_18,d137_19]).
14654ring_size_5(d137,[d137_5,d137_15,d137_16,d137_13,d137_4]).
14655nitro(d137,[d137_11,d137_25,d137_27,d137_28]).
14656nitro(d137,[d137_10,d137_26,d137_29,d137_30]).
14657benzene(d140,[d140_6,d140_1,d140_2,d140_3,d140_4,d140_5]).
14658benzene(d140,[d140_4,d140_13,d140_12,d140_11,d140_10,d140_3]).
14659ring_size_6(d140,[d140_6,d140_1,d140_2,d140_3,d140_4,d140_5]).
14660ring_size_6(d140,[d140_4,d140_13,d140_12,d140_11,d140_10,d140_3]).
14661nitro(d140,[d140_13,d140_17,d140_21,d140_22]).
14662nitro(d140,[d140_5,d140_18,d140_19,d140_20]).
14663benzene(d146,[d146_6,d146_1,d146_2,d146_3,d146_4,d146_5]).
14664benzene(d146,[d146_16,d146_11,d146_12,d146_13,d146_14,d146_15]).
14665ring_size_6(d146,[d146_6,d146_1,d146_2,d146_3,d146_4,d146_5]).
14666ring_size_6(d146,[d146_16,d146_11,d146_12,d146_13,d146_14,d146_15]).
14667nitro(d146,[d146_1,d146_20,d146_21,d146_22]).
14668benzene(d148,[d148_6,d148_1,d148_2,d148_3,d148_4,d148_5]).
14669benzene(d148,[d148_9,d148_10,d148_4,d148_3,d148_7,d148_8]).
14670carbon_5_aromatic_ring(d148,[d148_5,d148_11,d148_12,d148_10,d148_4]).
14671ring_size_6(d148,[d148_6,d148_1,d148_2,d148_3,d148_4,d148_5]).
14672ring_size_6(d148,[d148_9,d148_10,d148_4,d148_3,d148_7,d148_8]).
14673ring_size_5(d148,[d148_5,d148_11,d148_12,d148_10,d148_4]).
14674nitro(d148,[d148_9,d148_20,d148_21,d148_22]).
14675benzene(d149,[d149_6,d149_1,d149_2,d149_3,d149_4,d149_5]).
14676benzene(d149,[d149_17,d149_12,d149_11,d149_14,d149_15,d149_16]).
14677ring_size_6(d149,[d149_6,d149_1,d149_2,d149_3,d149_4,d149_5]).
14678ring_size_6(d149,[d149_4,d149_13,d149_12,d149_11,d149_10,d149_3]).
14679ring_size_6(d149,[d149_17,d149_12,d149_11,d149_14,d149_15,d149_16]).
14680nitro(d149,[d149_16,d149_23,d149_25,d149_26]).
14681nitro(d149,[d149_1,d149_24,d149_27,d149_28]).
14682benzene(d151,[d151_6,d151_1,d151_2,d151_3,d151_4,d151_5]).
14683hetero_aromatic_5_ring(d151,[d151_9,d151_4,d151_3,d151_7,d151_8]).
14684ring_size_6(d151,[d151_6,d151_1,d151_2,d151_3,d151_4,d151_5]).
14685ring_size_5(d151,[d151_9,d151_4,d151_3,d151_7,d151_8]).
14686nitro(d151,[d151_2,d151_10,d151_11,d151_12]).
14687benzene(d152,[d152_6,d152_1,d152_2,d152_3,d152_4,d152_5]).
14688benzene(d152,[d152_9,d152_10,d152_11,d152_12,d152_4,d152_3]).
14689benzene(d152,[d152_20,d152_15,d152_16,d152_17,d152_18,d152_19]).
14690ring_size_6(d152,[d152_6,d152_1,d152_2,d152_3,d152_4,d152_5]).
14691ring_size_6(d152,[d152_9,d152_10,d152_11,d152_12,d152_4,d152_3]).
14692ring_size_6(d152,[d152_20,d152_15,d152_16,d152_17,d152_18,d152_19]).
14693ring_size_5(d152,[d152_5,d152_15,d152_16,d152_12,d152_4]).
14694nitro(d152,[d152_10,d152_25,d152_29,d152_30]).
14695nitro(d152,[d152_1,d152_26,d152_27,d152_28]).
14696benzene(d153,[d153_6,d153_1,d153_2,d153_3,d153_4,d153_5]).
14697benzene(d153,[d153_4,d153_13,d153_12,d153_11,d153_10,d153_3]).
14698ring_size_6(d153,[d153_6,d153_1,d153_2,d153_3,d153_4,d153_5]).
14699ring_size_6(d153,[d153_4,d153_13,d153_12,d153_11,d153_10,d153_3]).
14700ring_size_5(d153,[d153_5,d153_16,d153_17,d153_13,d153_4]).
14701nitro(d153,[d153_10,d153_22,d153_23,d153_24]).
14702benzene(d157,[d157_9,d157_10,d157_4,d157_3,d157_7,d157_8]).
14703benzene(d157,[d157_5,d157_13,d157_12,d157_11,d157_10,d157_4]).
14704benzene(d157,[d157_9,d157_10,d157_11,d157_16,d157_15,d157_14]).
14705carbon_6_ring(d157,[d157_6,d157_1,d157_2,d157_3,d157_4,d157_5]).
14706ring_size_6(d157,[d157_6,d157_1,d157_2,d157_3,d157_4,d157_5]).
14707ring_size_6(d157,[d157_9,d157_10,d157_4,d157_3,d157_7,d157_8]).
14708ring_size_6(d157,[d157_5,d157_13,d157_12,d157_11,d157_10,d157_4]).
14709ring_size_6(d157,[d157_9,d157_10,d157_11,d157_16,d157_15,d157_14]).
14710nitro(d157,[d157_16,d157_27,d157_28,d157_29]).
14711ball3(d157,[[d157_9,d157_10,d157_4,d157_3,d157_7,d157_8],[d157_9,d157_10,d157_11,d157_16,d157_15,d157_14],[d157_5,d157_13,d157_12,d157_11,d157_10,d157_4]]).
14712benzene(d159,[d159_9,d159_10,d159_4,d159_3,d159_7,d159_8]).
14713benzene(d159,[d159_5,d159_13,d159_12,d159_11,d159_10,d159_4]).
14714benzene(d159,[d159_9,d159_10,d159_11,d159_16,d159_15,d159_14]).
14715carbon_6_ring(d159,[d159_6,d159_1,d159_2,d159_3,d159_4,d159_5]).
14716ring_size_6(d159,[d159_6,d159_1,d159_2,d159_3,d159_4,d159_5]).
14717ring_size_6(d159,[d159_9,d159_10,d159_4,d159_3,d159_7,d159_8]).
14718ring_size_6(d159,[d159_5,d159_13,d159_12,d159_11,d159_10,d159_4]).
14719ring_size_6(d159,[d159_9,d159_10,d159_11,d159_16,d159_15,d159_14]).
14720nitro(d159,[d159_16,d159_27,d159_28,d159_29]).
14721ball3(d159,[[d159_9,d159_10,d159_4,d159_3,d159_7,d159_8],[d159_9,d159_10,d159_11,d159_16,d159_15,d159_14],[d159_5,d159_13,d159_12,d159_11,d159_10,d159_4]]).
14722benzene(d163,[d163_6,d163_1,d163_2,d163_3,d163_4,d163_5]).
14723benzene(d163,[d163_9,d163_10,d163_11,d163_12,d163_4,d163_3]).
14724benzene(d163,[d163_22,d163_15,d163_12,d163_11,d163_20,d163_21]).
14725benzene(d163,[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4]).
14726ring_size_6(d163,[d163_6,d163_1,d163_2,d163_3,d163_4,d163_5]).
14727ring_size_6(d163,[d163_9,d163_10,d163_11,d163_12,d163_4,d163_3]).
14728ring_size_6(d163,[d163_22,d163_15,d163_12,d163_11,d163_20,d163_21]).
14729ring_size_6(d163,[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4]).
14730nitro(d163,[d163_21,d163_25,d163_27,d163_28]).
14731nitro(d163,[d163_1,d163_26,d163_29,d163_30]).
14732phenanthrene(d163,[[d163_6,d163_1,d163_2,d163_3,d163_4,d163_5],[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4],[d163_22,d163_15,d163_12,d163_11,d163_20,d163_21]]).
14733ball3(d163,[[d163_9,d163_10,d163_11,d163_12,d163_4,d163_3],[d163_6,d163_1,d163_2,d163_3,d163_4,d163_5],[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4]]).
14734ball3(d163,[[d163_9,d163_10,d163_11,d163_12,d163_4,d163_3],[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4],[d163_22,d163_15,d163_12,d163_11,d163_20,d163_21]]).
14735benzene(d164,[d164_6,d164_1,d164_2,d164_3,d164_4,d164_5]).
14736benzene(d164,[d164_9,d164_10,d164_11,d164_12,d164_4,d164_3]).
14737benzene(d164,[d164_22,d164_15,d164_12,d164_11,d164_20,d164_21]).
14738benzene(d164,[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4]).
14739ring_size_6(d164,[d164_6,d164_1,d164_2,d164_3,d164_4,d164_5]).
14740ring_size_6(d164,[d164_9,d164_10,d164_11,d164_12,d164_4,d164_3]).
14741ring_size_6(d164,[d164_22,d164_15,d164_12,d164_11,d164_20,d164_21]).
14742ring_size_6(d164,[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4]).
14743nitro(d164,[d164_22,d164_25,d164_27,d164_28]).
14744nitro(d164,[d164_20,d164_26,d164_29,d164_30]).
14745phenanthrene(d164,[[d164_6,d164_1,d164_2,d164_3,d164_4,d164_5],[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4],[d164_22,d164_15,d164_12,d164_11,d164_20,d164_21]]).
14746ball3(d164,[[d164_9,d164_10,d164_11,d164_12,d164_4,d164_3],[d164_6,d164_1,d164_2,d164_3,d164_4,d164_5],[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4]]).
14747ball3(d164,[[d164_9,d164_10,d164_11,d164_12,d164_4,d164_3],[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4],[d164_22,d164_15,d164_12,d164_11,d164_20,d164_21]]).
14748benzene(d165,[d165_6,d165_1,d165_2,d165_3,d165_4,d165_5]).
14749benzene(d165,[d165_4,d165_13,d165_12,d165_11,d165_10,d165_3]).
14750benzene(d165,[d165_22,d165_17,d165_18,d165_19,d165_20,d165_21]).
14751ring_size_6(d165,[d165_6,d165_1,d165_2,d165_3,d165_4,d165_5]).
14752ring_size_6(d165,[d165_4,d165_13,d165_12,d165_11,d165_10,d165_3]).
14753ring_size_6(d165,[d165_22,d165_17,d165_18,d165_19,d165_20,d165_21]).
14754ring_size_5(d165,[d165_5,d165_17,d165_18,d165_13,d165_4]).
14755nitro(d165,[d165_21,d165_26,d165_27,d165_28]).
14756benzene(d166,[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5]).
14757benzene(d166,[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3]).
14758benzene(d166,[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]).
14759benzene(d166,[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4]).
14760ring_size_6(d166,[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5]).
14761ring_size_6(d166,[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3]).
14762ring_size_6(d166,[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]).
14763ring_size_6(d166,[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4]).
14764nitro(d166,[d166_23,d166_25,d166_26,d166_27]).
14765phenanthrene(d166,[[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5],[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3],[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]]).
14766phenanthrene(d166,[[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5],[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4],[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]]).
14767ball3(d166,[[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5],[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4],[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3]]).
14768ball3(d166,[[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4],[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3],[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]]).
14769benzene(d169,[d169_6,d169_1,d169_2,d169_3,d169_4,d169_5]).
14770ring_size_6(d169,[d169_6,d169_1,d169_2,d169_3,d169_4,d169_5]).
14771nitro(d169,[d169_4,d169_11,d169_13,d169_14]).
14772nitro(d169,[d169_2,d169_12,d169_15,d169_16]).
14773benzene(d171,[d171_6,d171_1,d171_2,d171_3,d171_4,d171_5]).
14774benzene(d171,[d171_15,d171_10,d171_11,d171_12,d171_13,d171_14]).
14775ring_size_6(d171,[d171_6,d171_1,d171_2,d171_3,d171_4,d171_5]).
14776ring_size_6(d171,[d171_15,d171_10,d171_11,d171_12,d171_13,d171_14]).
14777nitro(d171,[d171_15,d171_19,d171_27,d171_28]).
14778nitro(d171,[d171_13,d171_20,d171_29,d171_30]).
14779nitro(d171,[d171_5,d171_21,d171_25,d171_26]).
14780nitro(d171,[d171_1,d171_22,d171_23,d171_24]).
14781benzene(d172,[d172_6,d172_1,d172_2,d172_3,d172_4,d172_5]).
14782hetero_aromatic_5_ring(d172,[d172_9,d172_4,d172_3,d172_7,d172_8]).
14783ring_size_6(d172,[d172_6,d172_1,d172_2,d172_3,d172_4,d172_5]).
14784ring_size_5(d172,[d172_9,d172_4,d172_3,d172_7,d172_8]).
14785nitro(d172,[d172_1,d172_10,d172_11,d172_12]).
14786benzene(d173,[d173_6,d173_1,d173_2,d173_3,d173_4,d173_5]).
14787benzene(d173,[d173_15,d173_10,d173_11,d173_12,d173_13,d173_14]).
14788ring_size_6(d173,[d173_6,d173_1,d173_2,d173_3,d173_4,d173_5]).
14789ring_size_6(d173,[d173_15,d173_10,d173_11,d173_12,d173_13,d173_14]).
14790nitro(d173,[d173_5,d173_20,d173_25,d173_26]).
14791nitro(d173,[d173_4,d173_21,d173_27,d173_28]).
14792nitro(d173,[d173_10,d173_22,d173_23,d173_24]).
14793benzene(d174,[d174_6,d174_1,d174_2,d174_3,d174_4,d174_5]).
14794benzene(d174,[d174_4,d174_13,d174_12,d174_11,d174_10,d174_3]).
14795benzene(d174,[d174_21,d174_16,d174_17,d174_18,d174_19,d174_20]).
14796ring_size_6(d174,[d174_6,d174_1,d174_2,d174_3,d174_4,d174_5]).
14797ring_size_6(d174,[d174_4,d174_13,d174_12,d174_11,d174_10,d174_3]).
14798ring_size_6(d174,[d174_21,d174_16,d174_17,d174_18,d174_19,d174_20]).
14799ring_size_5(d174,[d174_5,d174_16,d174_17,d174_13,d174_4]).
14800nitro(d174,[d174_10,d174_25,d174_27,d174_28]).
14801nitro(d174,[d174_19,d174_26,d174_29,d174_30]).
14802benzene(d177,[d177_6,d177_1,d177_2,d177_3,d177_4,d177_5]).
14803benzene(d177,[d177_17,d177_12,d177_11,d177_14,d177_15,d177_16]).
14804ring_size_6(d177,[d177_6,d177_1,d177_2,d177_3,d177_4,d177_5]).
14805ring_size_6(d177,[d177_4,d177_13,d177_12,d177_11,d177_10,d177_3]).
14806ring_size_6(d177,[d177_17,d177_12,d177_11,d177_14,d177_15,d177_16]).
14807nitro(d177,[d177_17,d177_23,d177_27,d177_28]).
14808nitro(d177,[d177_5,d177_24,d177_25,d177_26]).
14809benzene(d178,[d178_6,d178_1,d178_2,d178_3,d178_4,d178_5]).
14810ring_size_6(d178,[d178_6,d178_1,d178_2,d178_3,d178_4,d178_5]).
14811ring_size_5(d178,[d178_4,d178_12,d178_11,d178_10,d178_3]).
14812nitro(d178,[d178_2,d178_19,d178_20,d178_21]).
14813benzene(d183,[d183_6,d183_1,d183_2,d183_3,d183_4,d183_5]).
14814benzene(d183,[d183_9,d183_10,d183_11,d183_12,d183_4,d183_3]).
14815benzene(d183,[d183_22,d183_15,d183_12,d183_11,d183_20,d183_21]).
14816benzene(d183,[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4]).
14817ring_size_6(d183,[d183_6,d183_1,d183_2,d183_3,d183_4,d183_5]).
14818ring_size_6(d183,[d183_9,d183_10,d183_11,d183_12,d183_4,d183_3]).
14819ring_size_6(d183,[d183_22,d183_15,d183_12,d183_11,d183_20,d183_21]).
14820ring_size_6(d183,[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4]).
14821nitro(d183,[d183_22,d183_25,d183_29,d183_30]).
14822nitro(d183,[d183_6,d183_26,d183_27,d183_28]).
14823phenanthrene(d183,[[d183_6,d183_1,d183_2,d183_3,d183_4,d183_5],[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4],[d183_22,d183_15,d183_12,d183_11,d183_20,d183_21]]).
14824ball3(d183,[[d183_9,d183_10,d183_11,d183_12,d183_4,d183_3],[d183_6,d183_1,d183_2,d183_3,d183_4,d183_5],[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4]]).
14825ball3(d183,[[d183_9,d183_10,d183_11,d183_12,d183_4,d183_3],[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4],[d183_22,d183_15,d183_12,d183_11,d183_20,d183_21]]).
14826benzene(d184,[d184_6,d184_1,d184_2,d184_3,d184_4,d184_5]).
14827benzene(d184,[d184_4,d184_13,d184_12,d184_11,d184_10,d184_3]).
14828benzene(d184,[d184_21,d184_16,d184_17,d184_18,d184_19,d184_20]).
14829ring_size_6(d184,[d184_6,d184_1,d184_2,d184_3,d184_4,d184_5]).
14830ring_size_6(d184,[d184_4,d184_13,d184_12,d184_11,d184_10,d184_3]).
14831ring_size_6(d184,[d184_21,d184_16,d184_17,d184_18,d184_19,d184_20]).
14832ring_size_5(d184,[d184_5,d184_16,d184_17,d184_13,d184_4]).
14833nitro(d184,[d184_10,d184_25,d184_29,d184_30]).
14834nitro(d184,[d184_21,d184_26,d184_27,d184_28]).
14835benzene(d187,[d187_6,d187_1,d187_25,d187_24,d187_23,d187_22]).
14836benzene(d187,[d187_9,d187_10,d187_5,d187_4,d187_7,d187_8]).
14837benzene(d187,[d187_3,d187_17,d187_16,d187_15,d187_14,d187_2]).
14838carbon_6_ring(d187,[d187_6,d187_1,d187_2,d187_3,d187_4,d187_5]).
14839ring_size_6(d187,[d187_6,d187_1,d187_2,d187_3,d187_4,d187_5]).
14840ring_size_6(d187,[d187_6,d187_1,d187_25,d187_24,d187_23,d187_22]).
14841ring_size_6(d187,[d187_9,d187_10,d187_5,d187_4,d187_7,d187_8]).
14842ring_size_6(d187,[d187_3,d187_17,d187_16,d187_15,d187_14,d187_2]).
14843nitro(d187,[d187_9,d187_30,d187_31,d187_32]).
14844benzene(d8,[d8_6,d8_1,d8_2,d8_3,d8_4,d8_5]).
14845benzene(d8,[d8_9,d8_10,d8_11,d8_12,d8_7,d8_8]).
14846ring_size_6(d8,[d8_6,d8_1,d8_2,d8_3,d8_4,d8_5]).
14847ring_size_6(d8,[d8_9,d8_10,d8_11,d8_12,d8_7,d8_8]).
14848ring_size_5(d8,[d8_7,d8_12,d8_4,d8_3,d8_13]).
14849nitro(d8,[d8_1,d8_14,d8_15,d8_16]).
14850benzene(d16,[d16_6,d16_1,d16_2,d16_3,d16_4,d16_5]).
14851benzene(d16,[d16_9,d16_10,d16_4,d16_3,d16_7,d16_8]).
14852benzene(d16,[d16_16,d16_11,d16_12,d16_13,d16_14,d16_15]).
14853ring_size_6(d16,[d16_6,d16_1,d16_2,d16_3,d16_4,d16_5]).
14854ring_size_6(d16,[d16_9,d16_10,d16_4,d16_3,d16_7,d16_8]).
14855ring_size_6(d16,[d16_16,d16_11,d16_12,d16_13,d16_14,d16_15]).
14856ring_size_5(d16,[d16_5,d16_11,d16_12,d16_10,d16_4]).
14857nitro(d16,[d16_7,d16_17,d16_19,d16_20]).
14858nitro(d16,[d16_2,d16_18,d16_21,d16_22]).
14859benzene(d21,[d21_6,d21_1,d21_2,d21_3,d21_4,d21_5]).
14860benzene(d21,[d21_16,d21_11,d21_12,d21_13,d21_14,d21_15]).
14861ring_size_6(d21,[d21_6,d21_1,d21_2,d21_3,d21_4,d21_5]).
14862ring_size_6(d21,[d21_16,d21_11,d21_12,d21_13,d21_14,d21_15]).
14863nitro(d21,[d21_14,d21_21,d21_23,d21_24]).
14864nitro(d21,[d21_6,d21_22,d21_25,d21_26]).
14865benzene(d22,[d22_6,d22_1,d22_2,d22_3,d22_4,d22_5]).
14866benzene(d22,[d22_9,d22_10,d22_11,d22_12,d22_7,d22_8]).
14867ring_size_6(d22,[d22_6,d22_1,d22_2,d22_3,d22_4,d22_5]).
14868ring_size_6(d22,[d22_9,d22_10,d22_11,d22_12,d22_7,d22_8]).
14869ring_size_5(d22,[d22_7,d22_12,d22_4,d22_3,d22_13]).
14870nitro(d22,[d22_1,d22_15,d22_16,d22_17]).
14871benzene(d23,[d23_6,d23_1,d23_2,d23_3,d23_4,d23_5]).
14872benzene(d23,[d23_9,d23_10,d23_5,d23_4,d23_7,d23_8]).
14873benzene(d23,[d23_8,d23_14,d23_13,d23_12,d23_11,d23_7]).
14874benzene(d23,[d23_18,d23_13,d23_12,d23_15,d23_16,d23_17]).
14875carbon_5_aromatic_ring(d23,[d23_20,d23_18,d23_13,d23_14,d23_19]).
14876ring_size_6(d23,[d23_6,d23_1,d23_2,d23_3,d23_4,d23_5]).
14877ring_size_6(d23,[d23_9,d23_10,d23_5,d23_4,d23_7,d23_8]).
14878ring_size_6(d23,[d23_8,d23_14,d23_13,d23_12,d23_11,d23_7]).
14879ring_size_6(d23,[d23_18,d23_13,d23_12,d23_15,d23_16,d23_17]).
14880ring_size_5(d23,[d23_20,d23_18,d23_13,d23_14,d23_19]).
14881nitro(d23,[d23_20,d23_32,d23_33,d23_34]).
14882anthracene(d23,[[d23_9,d23_10,d23_5,d23_4,d23_7,d23_8],[d23_8,d23_14,d23_13,d23_12,d23_11,d23_7],[d23_18,d23_13,d23_12,d23_15,d23_16,d23_17]]).
14883benzene(d29,[d29_6,d29_1,d29_2,d29_3,d29_4,d29_5]).
14884benzene(d29,[d29_9,d29_10,d29_11,d29_12,d29_7,d29_8]).
14885ring_size_6(d29,[d29_6,d29_1,d29_2,d29_3,d29_4,d29_5]).
14886ring_size_6(d29,[d29_9,d29_10,d29_11,d29_12,d29_7,d29_8]).
14887ring_size_5(d29,[d29_7,d29_12,d29_4,d29_3,d29_13]).
14888nitro(d29,[d29_1,d29_14,d29_15,d29_16]).
14889nitro(d29,[d29_9,d29_17,d29_18,d29_19]).
14890nitro(d29,[d29_11,d29_20,d29_21,d29_22]).
14891benzene(d30,[d30_6,d30_1,d30_2,d30_3,d30_4,d30_5]).
14892benzene(d30,[d30_9,d30_10,d30_4,d30_3,d30_7,d30_8]).
14893benzene(d30,[d30_8,d30_14,d30_13,d30_12,d30_11,d30_7]).
14894benzene(d30,[d30_18,d30_13,d30_12,d30_15,d30_16,d30_17]).
14895carbon_5_aromatic_ring(d30,[d30_5,d30_19,d30_20,d30_10,d30_4]).
14896ring_size_6(d30,[d30_6,d30_1,d30_2,d30_3,d30_4,d30_5]).
14897ring_size_6(d30,[d30_9,d30_10,d30_4,d30_3,d30_7,d30_8]).
14898ring_size_6(d30,[d30_8,d30_14,d30_13,d30_12,d30_11,d30_7]).
14899ring_size_6(d30,[d30_18,d30_13,d30_12,d30_15,d30_16,d30_17]).
14900ring_size_5(d30,[d30_5,d30_19,d30_20,d30_10,d30_4]).
14901nitro(d30,[d30_19,d30_32,d30_33,d30_34]).
14902anthracene(d30,[[d30_9,d30_10,d30_4,d30_3,d30_7,d30_8],[d30_8,d30_14,d30_13,d30_12,d30_11,d30_7],[d30_18,d30_13,d30_12,d30_15,d30_16,d30_17]]).
14903benzene(d32,[d32_6,d32_1,d32_2,d32_3,d32_4,d32_5]).
14904benzene(d32,[d32_15,d32_10,d32_11,d32_12,d32_13,d32_14]).
14905ring_size_6(d32,[d32_6,d32_1,d32_2,d32_3,d32_4,d32_5]).
14906ring_size_6(d32,[d32_15,d32_10,d32_11,d32_12,d32_13,d32_14]).
14907nitro(d32,[d32_15,d32_19,d32_23,d32_24]).
14908nitro(d32,[d32_13,d32_20,d32_25,d32_26]).
14909nitro(d32,[d32_6,d32_21,d32_29,d32_30]).
14910nitro(d32,[d32_1,d32_22,d32_27,d32_28]).
14911benzene(d33,[d33_6,d33_1,d33_2,d33_3,d33_4,d33_5]).
14912benzene(d33,[d33_15,d33_10,d33_11,d33_12,d33_13,d33_14]).
14913ring_size_6(d33,[d33_6,d33_1,d33_2,d33_3,d33_4,d33_5]).
14914ring_size_6(d33,[d33_15,d33_10,d33_11,d33_12,d33_13,d33_14]).
14915ring_size_5(d33,[d33_4,d33_15,d33_10,d33_19,d33_3]).
14916nitro(d33,[d33_1,d33_22,d33_23,d33_24]).
14917benzene(d35,[d35_6,d35_1,d35_2,d35_3,d35_4,d35_5]).
14918benzene(d35,[d35_15,d35_10,d35_11,d35_12,d35_13,d35_14]).
14919ring_size_6(d35,[d35_6,d35_1,d35_2,d35_3,d35_4,d35_5]).
14920ring_size_6(d35,[d35_15,d35_10,d35_11,d35_12,d35_13,d35_14]).
14921ring_size_5(d35,[d35_4,d35_15,d35_10,d35_19,d35_3]).
14922nitro(d35,[d35_1,d35_22,d35_24,d35_25]).
14923benzene(d37,[d37_6,d37_1,d37_2,d37_3,d37_4,d37_5]).
14924benzene(d37,[d37_22,d37_15,d37_18,d37_19,d37_20,d37_21]).
14925ring_size_6(d37,[d37_6,d37_1,d37_2,d37_3,d37_4,d37_5]).
14926ring_size_6(d37,[d37_22,d37_15,d37_18,d37_19,d37_20,d37_21]).
14927nitro(d37,[d37_1,d37_28,d37_29,d37_30]).
14928benzene(d44,[d44_6,d44_1,d44_2,d44_3,d44_4,d44_5]).
14929benzene(d44,[d44_8,d44_14,d44_13,d44_12,d44_11,d44_7]).
14930carbon_6_ring(d44,[d44_9,d44_10,d44_5,d44_4,d44_7,d44_8]).
14931ring_size_6(d44,[d44_6,d44_1,d44_2,d44_3,d44_4,d44_5]).
14932ring_size_6(d44,[d44_9,d44_10,d44_5,d44_4,d44_7,d44_8]).
14933ring_size_6(d44,[d44_8,d44_14,d44_13,d44_12,d44_11,d44_7]).
14934nitro(d44,[d44_13,d44_15,d44_16,d44_17]).
14935benzene(d47,[d47_6,d47_1,d47_2,d47_3,d47_4,d47_5]).
14936benzene(d47,[d47_9,d47_10,d47_11,d47_16,d47_15,d47_14]).
14937carbon_6_ring(d47,[d47_9,d47_10,d47_4,d47_3,d47_7,d47_8]).
14938carbon_6_ring(d47,[d47_5,d47_13,d47_12,d47_11,d47_10,d47_4]).
14939ring_size_6(d47,[d47_6,d47_1,d47_2,d47_3,d47_4,d47_5]).
14940ring_size_6(d47,[d47_9,d47_10,d47_4,d47_3,d47_7,d47_8]).
14941ring_size_6(d47,[d47_5,d47_13,d47_12,d47_11,d47_10,d47_4]).
14942ring_size_6(d47,[d47_9,d47_10,d47_11,d47_16,d47_15,d47_14]).
14943nitro(d47,[d47_15,d47_17,d47_19,d47_20]).
14944nitro(d47,[d47_1,d47_18,d47_21,d47_22]).
14945benzene(d74,[d74_6,d74_1,d74_2,d74_3,d74_4,d74_5]).
14946benzene(d74,[d74_4,d74_13,d74_12,d74_11,d74_10,d74_3]).
14947benzene(d74,[d74_22,d74_17,d74_18,d74_19,d74_20,d74_21]).
14948benzene(d74,[d74_28,d74_21,d74_20,d74_25,d74_26,d74_27]).
14949ring_size_6(d74,[d74_6,d74_1,d74_2,d74_3,d74_4,d74_5]).
14950ring_size_6(d74,[d74_4,d74_13,d74_12,d74_11,d74_10,d74_3]).
14951ring_size_6(d74,[d74_22,d74_17,d74_18,d74_19,d74_20,d74_21]).
14952ring_size_6(d74,[d74_28,d74_21,d74_20,d74_25,d74_26,d74_27]).
14953ring_size_5(d74,[d74_5,d74_17,d74_18,d74_13,d74_4]).
14954nitro(d74,[d74_26,d74_32,d74_33,d74_34]).
14955benzene(d81,[d81_6,d81_1,d81_2,d81_3,d81_4,d81_5]).
14956ring_size_6(d81,[d81_6,d81_1,d81_2,d81_3,d81_4,d81_5]).
14957nitro(d81,[d81_5,d81_11,d81_13,d81_14]).
14958nitro(d81,[d81_3,d81_12,d81_15,d81_16]).
14959benzene(d85,[d85_6,d85_1,d85_2,d85_3,d85_4,d85_5]).
14960benzene(d85,[d85_9,d85_10,d85_5,d85_4,d85_7,d85_8]).
14961benzene(d85,[d85_8,d85_14,d85_13,d85_12,d85_11,d85_7]).
14962benzene(d85,[d85_18,d85_13,d85_12,d85_15,d85_16,d85_17]).
14963carbon_5_aromatic_ring(d85,[d85_9,d85_19,d85_20,d85_14,d85_8]).
14964ring_size_6(d85,[d85_6,d85_1,d85_2,d85_3,d85_4,d85_5]).
14965ring_size_6(d85,[d85_9,d85_10,d85_5,d85_4,d85_7,d85_8]).
14966ring_size_6(d85,[d85_8,d85_14,d85_13,d85_12,d85_11,d85_7]).
14967ring_size_6(d85,[d85_18,d85_13,d85_12,d85_15,d85_16,d85_17]).
14968ring_size_5(d85,[d85_9,d85_19,d85_20,d85_14,d85_8]).
14969nitro(d85,[d85_19,d85_32,d85_33,d85_34]).
14970anthracene(d85,[[d85_9,d85_10,d85_5,d85_4,d85_7,d85_8],[d85_8,d85_14,d85_13,d85_12,d85_11,d85_7],[d85_18,d85_13,d85_12,d85_15,d85_16,d85_17]]).
14971benzene(d91,[d91_9,d91_10,d91_4,d91_3,d91_7,d91_8]).
14972benzene(d91,[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14]).
14973benzene(d91,[d91_9,d91_14,d91_13,d91_12,d91_11,d91_8]).
14974benzene(d91,[d91_20,d91_15,d91_14,d91_13,d91_18,d91_19]).
14975carbon_6_ring(d91,[d91_6,d91_1,d91_2,d91_3,d91_4,d91_5]).
14976ring_size_6(d91,[d91_6,d91_1,d91_2,d91_3,d91_4,d91_5]).
14977ring_size_6(d91,[d91_9,d91_10,d91_4,d91_3,d91_7,d91_8]).
14978ring_size_6(d91,[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14]).
14979ring_size_6(d91,[d91_9,d91_14,d91_13,d91_12,d91_11,d91_8]).
14980ring_size_6(d91,[d91_20,d91_15,d91_14,d91_13,d91_18,d91_19]).
14981nitro(d91,[d91_18,d91_21,d91_22,d91_23]).
14982phenanthrene(d91,[[d91_9,d91_10,d91_4,d91_3,d91_7,d91_8],[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14],[d91_20,d91_15,d91_14,d91_13,d91_18,d91_19]]).
14983ball3(d91,[[d91_9,d91_14,d91_13,d91_12,d91_11,d91_8],[d91_9,d91_10,d91_4,d91_3,d91_7,d91_8],[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14]]).
14984ball3(d91,[[d91_9,d91_14,d91_13,d91_12,d91_11,d91_8],[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14],[d91_20,d91_15,d91_14,d91_13,d91_18,d91_19]]).
14985benzene(d92,[d92_6,d92_1,d92_2,d92_3,d92_4,d92_5]).
14986benzene(d92,[d92_9,d92_10,d92_11,d92_16,d92_15,d92_14]).
14987carbon_6_ring(d92,[d92_9,d92_10,d92_4,d92_3,d92_7,d92_8]).
14988carbon_6_ring(d92,[d92_5,d92_13,d92_12,d92_11,d92_10,d92_4]).
14989ring_size_6(d92,[d92_6,d92_1,d92_2,d92_3,d92_4,d92_5]).
14990ring_size_6(d92,[d92_9,d92_10,d92_4,d92_3,d92_7,d92_8]).
14991ring_size_6(d92,[d92_5,d92_13,d92_12,d92_11,d92_10,d92_4]).
14992ring_size_6(d92,[d92_9,d92_10,d92_11,d92_16,d92_15,d92_14]).
14993nitro(d92,[d92_15,d92_17,d92_18,d92_19]).
14994benzene(d93,[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5]).
14995benzene(d93,[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3]).
14996benzene(d93,[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]).
14997benzene(d93,[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4]).
14998benzene(d93,[d93_27,d93_18,d93_17,d93_24,d93_25,d93_26]).
14999ring_size_6(d93,[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5]).
15000ring_size_6(d93,[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3]).
15001ring_size_6(d93,[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]).
15002ring_size_6(d93,[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4]).
15003ring_size_6(d93,[d93_27,d93_18,d93_17,d93_24,d93_25,d93_26]).
15004nitro(d93,[d93_19,d93_32,d93_33,d93_34]).
15005phenanthrene(d93,[[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5],[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3],[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]]).
15006phenanthrene(d93,[[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5],[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4],[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]]).
15007phenanthrene(d93,[[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5],[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4],[d93_27,d93_18,d93_17,d93_24,d93_25,d93_26]]).
15008ball3(d93,[[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5],[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4],[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3]]).
15009ball3(d93,[[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4],[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3],[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]]).
15010benzene(d97,[d97_6,d97_1,d97_2,d97_3,d97_4,d97_5]).
15011benzene(d97,[d97_15,d97_10,d97_11,d97_12,d97_13,d97_14]).
15012ring_size_6(d97,[d97_6,d97_1,d97_2,d97_3,d97_4,d97_5]).
15013ring_size_6(d97,[d97_15,d97_10,d97_11,d97_12,d97_13,d97_14]).
15014ring_size_5(d97,[d97_4,d97_15,d97_10,d97_19,d97_3]).
15015nitro(d97,[d97_1,d97_26,d97_27,d97_28]).
15016benzene(d99,[d99_6,d99_1,d99_2,d99_3,d99_4,d99_5]).
15017benzene(d99,[d99_9,d99_10,d99_4,d99_3,d99_7,d99_8]).
15018carbon_5_aromatic_ring(d99,[d99_5,d99_11,d99_12,d99_10,d99_4]).
15019ring_size_6(d99,[d99_6,d99_1,d99_2,d99_3,d99_4,d99_5]).
15020ring_size_6(d99,[d99_9,d99_10,d99_4,d99_3,d99_7,d99_8]).
15021ring_size_5(d99,[d99_5,d99_11,d99_12,d99_10,d99_4]).
15022nitro(d99,[d99_11,d99_13,d99_14,d99_15]).
15023benzene(d102,[d102_6,d102_1,d102_2,d102_3,d102_4,d102_5]).
15024benzene(d102,[d102_9,d102_10,d102_11,d102_12,d102_13,d102_14]).
15025ring_size_6(d102,[d102_6,d102_1,d102_2,d102_3,d102_4,d102_5]).
15026ring_size_6(d102,[d102_9,d102_10,d102_11,d102_12,d102_13,d102_14]).
15027ring_size_5(d102,[d102_9,d102_14,d102_4,d102_3,d102_17]).
15028nitro(d102,[d102_11,d102_19,d102_29,d102_30]).
15029nitro(d102,[d102_13,d102_20,d102_27,d102_28]).
15030nitro(d102,[d102_5,d102_21,d102_25,d102_26]).
15031nitro(d102,[d102_1,d102_22,d102_23,d102_24]).
15032benzene(d103,[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5]).
15033benzene(d103,[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3]).
15034benzene(d103,[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]).
15035benzene(d103,[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4]).
15036ring_size_6(d103,[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5]).
15037ring_size_6(d103,[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3]).
15038ring_size_6(d103,[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]).
15039ring_size_6(d103,[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4]).
15040nitro(d103,[d103_22,d103_26,d103_27,d103_28]).
15041phenanthrene(d103,[[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5],[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3],[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]]).
15042phenanthrene(d103,[[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5],[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4],[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]]).
15043ball3(d103,[[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5],[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4],[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3]]).
15044ball3(d103,[[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4],[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3],[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]]).
15045benzene(d106,[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5]).
15046benzene(d106,[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3]).
15047benzene(d106,[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]).
15048benzene(d106,[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4]).
15049ring_size_6(d106,[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5]).
15050ring_size_6(d106,[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3]).
15051ring_size_6(d106,[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]).
15052ring_size_6(d106,[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4]).
15053nitro(d106,[d106_22,d106_25,d106_27,d106_28]).
15054phenanthrene(d106,[[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5],[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3],[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]]).
15055phenanthrene(d106,[[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5],[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4],[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]]).
15056ball3(d106,[[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5],[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4],[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3]]).
15057ball3(d106,[[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4],[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3],[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]]).
15058benzene(d108,[d108_6,d108_1,d108_2,d108_3,d108_4,d108_5]).
15059benzene(d108,[d108_9,d108_10,d108_11,d108_12,d108_4,d108_3]).
15060benzene(d108,[d108_19,d108_14,d108_15,d108_16,d108_17,d108_18]).
15061ring_size_6(d108,[d108_6,d108_1,d108_2,d108_3,d108_4,d108_5]).
15062ring_size_6(d108,[d108_9,d108_10,d108_11,d108_12,d108_4,d108_3]).
15063ring_size_6(d108,[d108_19,d108_14,d108_15,d108_16,d108_17,d108_18]).
15064ring_size_5(d108,[d108_5,d108_14,d108_15,d108_12,d108_4]).
15065nitro(d108,[d108_9,d108_24,d108_25,d108_26]).
15066benzene(d118,[d118_9,d118_10,d118_4,d118_3,d118_7,d118_8]).
15067benzene(d118,[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14]).
15068benzene(d118,[d118_9,d118_14,d118_13,d118_12,d118_11,d118_8]).
15069benzene(d118,[d118_20,d118_15,d118_14,d118_13,d118_18,d118_19]).
15070carbon_6_ring(d118,[d118_6,d118_1,d118_2,d118_3,d118_4,d118_5]).
15071ring_size_6(d118,[d118_6,d118_1,d118_2,d118_3,d118_4,d118_5]).
15072ring_size_6(d118,[d118_9,d118_10,d118_4,d118_3,d118_7,d118_8]).
15073ring_size_6(d118,[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14]).
15074ring_size_6(d118,[d118_9,d118_14,d118_13,d118_12,d118_11,d118_8]).
15075ring_size_6(d118,[d118_20,d118_15,d118_14,d118_13,d118_18,d118_19]).
15076nitro(d118,[d118_18,d118_21,d118_22,d118_23]).
15077phenanthrene(d118,[[d118_9,d118_10,d118_4,d118_3,d118_7,d118_8],[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14],[d118_20,d118_15,d118_14,d118_13,d118_18,d118_19]]).
15078ball3(d118,[[d118_9,d118_14,d118_13,d118_12,d118_11,d118_8],[d118_9,d118_10,d118_4,d118_3,d118_7,d118_8],[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14]]).
15079ball3(d118,[[d118_9,d118_14,d118_13,d118_12,d118_11,d118_8],[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14],[d118_20,d118_15,d118_14,d118_13,d118_18,d118_19]]).
15080benzene(d121,[d121_6,d121_1,d121_2,d121_3,d121_4,d121_5]).
15081benzene(d121,[d121_9,d121_10,d121_11,d121_12,d121_4,d121_3]).
15082benzene(d121,[d121_19,d121_14,d121_15,d121_16,d121_17,d121_18]).
15083ring_size_6(d121,[d121_6,d121_1,d121_2,d121_3,d121_4,d121_5]).
15084ring_size_6(d121,[d121_9,d121_10,d121_11,d121_12,d121_4,d121_3]).
15085ring_size_6(d121,[d121_19,d121_14,d121_15,d121_16,d121_17,d121_18]).
15086ring_size_5(d121,[d121_5,d121_14,d121_15,d121_12,d121_4]).
15087nitro(d121,[d121_11,d121_24,d121_27,d121_28]).
15088nitro(d121,[d121_10,d121_25,d121_29,d121_30]).
15089nitro(d121,[d121_1,d121_26,d121_31,d121_32]).
15090benzene(d134,[d134_6,d134_1,d134_2,d134_3,d134_4,d134_5]).
15091benzene(d134,[d134_5,d134_13,d134_12,d134_11,d134_10,d134_4]).
15092benzene(d134,[d134_9,d134_10,d134_11,d134_16,d134_15,d134_14]).
15093carbon_6_ring(d134,[d134_9,d134_10,d134_4,d134_3,d134_7,d134_8]).
15094ring_size_6(d134,[d134_6,d134_1,d134_2,d134_3,d134_4,d134_5]).
15095ring_size_6(d134,[d134_9,d134_10,d134_4,d134_3,d134_7,d134_8]).
15096ring_size_6(d134,[d134_5,d134_13,d134_12,d134_11,d134_10,d134_4]).
15097ring_size_6(d134,[d134_9,d134_10,d134_11,d134_16,d134_15,d134_14]).
15098nitro(d134,[d134_15,d134_27,d134_29,d134_30]).
15099nitro(d134,[d134_1,d134_28,d134_31,d134_32]).
15100benzene(d145,[d145_6,d145_1,d145_2,d145_3,d145_4,d145_5]).
15101benzene(d145,[d145_16,d145_11,d145_12,d145_13,d145_14,d145_15]).
15102ring_size_6(d145,[d145_6,d145_1,d145_2,d145_3,d145_4,d145_5]).
15103ring_size_6(d145,[d145_16,d145_11,d145_12,d145_13,d145_14,d145_15]).
15104nitro(d145,[d145_1,d145_22,d145_23,d145_24]).
15105benzene(d158,[d158_6,d158_1,d158_2,d158_3,d158_4,d158_5]).
15106benzene(d158,[d158_15,d158_10,d158_11,d158_12,d158_13,d158_14]).
15107ring_size_6(d158,[d158_6,d158_1,d158_2,d158_3,d158_4,d158_5]).
15108ring_size_6(d158,[d158_15,d158_10,d158_11,d158_12,d158_13,d158_14]).
15109ring_size_5(d158,[d158_4,d158_15,d158_10,d158_19,d158_3]).
15110nitro(d158,[d158_1,d158_22,d158_23,d158_24]).
15111benzene(d161,[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5]).
15112benzene(d161,[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3]).
15113benzene(d161,[d161_20,d161_15,d161_12,d161_11,d161_18,d161_19]).
15114benzene(d161,[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4]).
15115benzene(d161,[d161_26,d161_17,d161_16,d161_23,d161_24,d161_25]).
15116ring_size_6(d161,[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5]).
15117ring_size_6(d161,[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3]).
15118ring_size_6(d161,[d161_20,d161_15,d161_12,d161_11,d161_18,d161_19]).
15119ring_size_6(d161,[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4]).
15120ring_size_6(d161,[d161_26,d161_17,d161_16,d161_23,d161_24,d161_25]).
15121nitro(d161,[d161_20,d161_31,d161_33,d161_34]).
15122nitro(d161,[d161_2,d161_32,d161_35,d161_36]).
15123anthracene(d161,[[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3],[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4],[d161_26,d161_17,d161_16,d161_23,d161_24,d161_25]]).
15124phenanthrene(d161,[[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5],[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4],[d161_20,d161_15,d161_12,d161_11,d161_18,d161_19]]).
15125phenanthrene(d161,[[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5],[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4],[d161_26,d161_17,d161_16,d161_23,d161_24,d161_25]]).
15126ball3(d161,[[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3],[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5],[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4]]).
15127ball3(d161,[[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3],[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4],[d161_20,d161_15,d161_12,d161_11,d161_18,d161_19]]).
15128benzene(d162,[d162_6,d162_1,d162_2,d162_3,d162_4,d162_5]).
15129benzene(d162,[d162_15,d162_10,d162_11,d162_12,d162_13,d162_14]).
15130ring_size_6(d162,[d162_6,d162_1,d162_2,d162_3,d162_4,d162_5]).
15131ring_size_6(d162,[d162_15,d162_10,d162_11,d162_12,d162_13,d162_14]).
15132nitro(d162,[d162_14,d162_19,d162_27,d162_28]).
15133nitro(d162,[d162_13,d162_20,d162_29,d162_30]).
15134nitro(d162,[d162_6,d162_21,d162_25,d162_26]).
15135nitro(d162,[d162_1,d162_22,d162_23,d162_24]).
15136benzene(d167,[d167_6,d167_1,d167_2,d167_3,d167_4,d167_5]).
15137benzene(d167,[d167_9,d167_10,d167_11,d167_12,d167_4,d167_3]).
15138benzene(d167,[d167_22,d167_15,d167_12,d167_11,d167_20,d167_21]).
15139benzene(d167,[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4]).
15140ring_size_6(d167,[d167_6,d167_1,d167_2,d167_3,d167_4,d167_5]).
15141ring_size_6(d167,[d167_9,d167_10,d167_11,d167_12,d167_4,d167_3]).
15142ring_size_6(d167,[d167_22,d167_15,d167_12,d167_11,d167_20,d167_21]).
15143ring_size_6(d167,[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4]).
15144nitro(d167,[d167_22,d167_25,d167_27,d167_28]).
15145nitro(d167,[d167_2,d167_26,d167_29,d167_30]).
15146phenanthrene(d167,[[d167_6,d167_1,d167_2,d167_3,d167_4,d167_5],[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4],[d167_22,d167_15,d167_12,d167_11,d167_20,d167_21]]).
15147ball3(d167,[[d167_9,d167_10,d167_11,d167_12,d167_4,d167_3],[d167_6,d167_1,d167_2,d167_3,d167_4,d167_5],[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4]]).
15148ball3(d167,[[d167_9,d167_10,d167_11,d167_12,d167_4,d167_3],[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4],[d167_22,d167_15,d167_12,d167_11,d167_20,d167_21]]).
15149benzene(d170,[d170_6,d170_1,d170_2,d170_3,d170_4,d170_5]).
15150benzene(d170,[d170_18,d170_13,d170_12,d170_15,d170_16,d170_17]).
15151ring_size_6(d170,[d170_6,d170_1,d170_2,d170_3,d170_4,d170_5]).
15152ring_size_6(d170,[d170_4,d170_14,d170_13,d170_12,d170_11,d170_3]).
15153ring_size_6(d170,[d170_18,d170_13,d170_12,d170_15,d170_16,d170_17]).
15154nitro(d170,[d170_18,d170_24,d170_25,d170_26]).
15155benzene(d176,[d176_6,d176_1,d176_2,d176_3,d176_4,d176_5]).
15156ring_size_6(d176,[d176_6,d176_1,d176_2,d176_3,d176_4,d176_5]).
15157ring_size_5(d176,[d176_4,d176_14,d176_11,d176_10,d176_3]).
15158nitro(d176,[d176_1,d176_17,d176_18,d176_19]).
15159benzene(d180,[d180_6,d180_1,d180_2,d180_3,d180_4,d180_5]).
15160benzene(d180,[d180_9,d180_10,d180_6,d180_5,d180_7,d180_8]).
15161benzene(d180,[d180_8,d180_14,d180_13,d180_12,d180_11,d180_7]).
15162benzene(d180,[d180_18,d180_12,d180_11,d180_15,d180_16,d180_17]).
15163benzene(d180,[d180_22,d180_16,d180_15,d180_19,d180_20,d180_21]).
15164carbon_6_ring(d180,[d180_7,d180_11,d180_15,d180_19,d180_4,d180_5]).
15165ring_size_6(d180,[d180_6,d180_1,d180_2,d180_3,d180_4,d180_5]).
15166ring_size_6(d180,[d180_9,d180_10,d180_6,d180_5,d180_7,d180_8]).
15167ring_size_6(d180,[d180_8,d180_14,d180_13,d180_12,d180_11,d180_7]).
15168ring_size_6(d180,[d180_18,d180_12,d180_11,d180_15,d180_16,d180_17]).
15169ring_size_6(d180,[d180_7,d180_11,d180_15,d180_19,d180_4,d180_5]).
15170ring_size_6(d180,[d180_22,d180_16,d180_15,d180_19,d180_20,d180_21]).
15171nitro(d180,[d180_22,d180_23,d180_25,d180_26]).
15172nitro(d180,[d180_3,d180_24,d180_27,d180_28]).
15173phenanthrene(d180,[[d180_9,d180_10,d180_6,d180_5,d180_7,d180_8],[d180_8,d180_14,d180_13,d180_12,d180_11,d180_7],[d180_18,d180_12,d180_11,d180_15,d180_16,d180_17]]).
15174benzene(d2,[d2_6,d2_1,d2_2,d2_3,d2_4,d2_5]).
15175hetero_aromatic_6_ring(d2,[d2_4,d2_13,d2_12,d2_11,d2_10,d2_3]).
15176ring_size_6(d2,[d2_6,d2_1,d2_2,d2_3,d2_4,d2_5]).
15177ring_size_6(d2,[d2_4,d2_13,d2_12,d2_11,d2_10,d2_3]).
15178nitro(d2,[d2_2,d2_17,d2_18,d2_19]).
15179benzene(d17,[d17_6,d17_1,d17_2,d17_3,d17_4,d17_5]).
15180ring_size_6(d17,[d17_6,d17_1,d17_2,d17_3,d17_4,d17_5]).
15181nitro(d17,[d17_4,d17_10,d17_11,d17_12]).
15182benzene(d42,[d42_6,d42_1,d42_2,d42_3,d42_4,d42_5]).
15183hetero_aromatic_5_ring(d42,[d42_9,d42_4,d42_3,d42_7,d42_8]).
15184ring_size_6(d42,[d42_6,d42_1,d42_2,d42_3,d42_4,d42_5]).
15185ring_size_5(d42,[d42_9,d42_4,d42_3,d42_7,d42_8]).
15186nitro(d42,[d42_6,d42_11,d42_12,d42_13]).
15187benzene(d70,[d70_6,d70_1,d70_2,d70_3,d70_4,d70_5]).
15188ring_size_6(d70,[d70_6,d70_1,d70_2,d70_3,d70_4,d70_5]).
15189ring_size_5(d70,[d70_4,d70_12,d70_11,d70_10,d70_3]).
15190nitro(d70,[d70_6,d70_16,d70_17,d70_18]).
15191benzene(d77,[d77_6,d77_1,d77_2,d77_3,d77_4,d77_5]).
15192benzene(d77,[d77_16,d77_11,d77_12,d77_13,d77_14,d77_15]).
15193ring_size_6(d77,[d77_6,d77_1,d77_2,d77_3,d77_4,d77_5]).
15194ring_size_6(d77,[d77_16,d77_11,d77_12,d77_13,d77_14,d77_15]).
15195nitro(d77,[d77_6,d77_22,d77_23,d77_24]).
15196benzene(d89,[d89_6,d89_1,d89_2,d89_3,d89_4,d89_5]).
15197hetero_aromatic_5_ring(d89,[d89_9,d89_4,d89_3,d89_7,d89_8]).
15198ring_size_6(d89,[d89_6,d89_1,d89_2,d89_3,d89_4,d89_5]).
15199ring_size_5(d89,[d89_9,d89_4,d89_3,d89_7,d89_8]).
15200nitro(d89,[d89_2,d89_11,d89_12,d89_13]).
15201benzene(d98,[d98_6,d98_1,d98_2,d98_3,d98_4,d98_5]).
15202hetero_aromatic_6_ring(d98,[d98_4,d98_13,d98_12,d98_11,d98_10,d98_3]).
15203ring_size_6(d98,[d98_6,d98_1,d98_2,d98_3,d98_4,d98_5]).
15204ring_size_6(d98,[d98_4,d98_13,d98_12,d98_11,d98_10,d98_3]).
15205nitro(d98,[d98_5,d98_17,d98_18,d98_19]).
15206benzene(d111,[d111_6,d111_1,d111_2,d111_3,d111_4,d111_5]).
15207ring_size_6(d111,[d111_6,d111_1,d111_2,d111_3,d111_4,d111_5]).
15208nitro(d111,[d111_2,d111_14,d111_15,d111_16]).
15209benzene(d114,[d114_6,d114_1,d114_2,d114_3,d114_4,d114_5]).
15210benzene(d114,[d114_16,d114_11,d114_12,d114_13,d114_14,d114_15]).
15211ring_size_6(d114,[d114_6,d114_1,d114_2,d114_3,d114_4,d114_5]).
15212ring_size_6(d114,[d114_16,d114_11,d114_12,d114_13,d114_14,d114_15]).
15213nitro(d114,[d114_1,d114_22,d114_23,d114_24]).
15214benzene(d119,[d119_6,d119_1,d119_2,d119_3,d119_4,d119_5]).
15215benzene(d119,[d119_16,d119_11,d119_12,d119_13,d119_14,d119_15]).
15216ring_size_6(d119,[d119_6,d119_1,d119_2,d119_3,d119_4,d119_5]).
15217ring_size_6(d119,[d119_16,d119_11,d119_12,d119_13,d119_14,d119_15]).
15218nitro(d119,[d119_16,d119_20,d119_25,d119_26]).
15219nitro(d119,[d119_14,d119_21,d119_27,d119_28]).
15220nitro(d119,[d119_5,d119_22,d119_23,d119_24]).
15221benzene(d120,[d120_6,d120_1,d120_2,d120_3,d120_4,d120_5]).
15222hetero_aromatic_5_ring(d120,[d120_9,d120_4,d120_3,d120_7,d120_8]).
15223ring_size_6(d120,[d120_6,d120_1,d120_2,d120_3,d120_4,d120_5]).
15224ring_size_5(d120,[d120_9,d120_4,d120_3,d120_7,d120_8]).
15225nitro(d120,[d120_6,d120_11,d120_12,d120_13]).
15226benzene(d130,[d130_6,d130_1,d130_2,d130_3,d130_4,d130_5]).
15227ring_size_6(d130,[d130_6,d130_1,d130_2,d130_3,d130_4,d130_5]).
15228nitro(d130,[d130_4,d130_16,d130_17,d130_18]).
15229benzene(d131,[d131_6,d131_1,d131_2,d131_3,d131_4,d131_5]).
15230benzene(d131,[d131_21,d131_16,d131_17,d131_18,d131_19,d131_20]).
15231ring_size_6(d131,[d131_6,d131_1,d131_2,d131_3,d131_4,d131_5]).
15232ring_size_6(d131,[d131_21,d131_16,d131_17,d131_18,d131_19,d131_20]).
15233nitro(d131,[d131_2,d131_27,d131_28,d131_29]).
15234benzene(d132,[d132_6,d132_1,d132_2,d132_3,d132_4,d132_5]).
15235ring_size_6(d132,[d132_6,d132_1,d132_2,d132_3,d132_4,d132_5]).
15236nitro(d132,[d132_4,d132_14,d132_15,d132_16]).
15237benzene(d138,[d138_6,d138_1,d138_2,d138_3,d138_4,d138_5]).
15238hetero_aromatic_5_ring(d138,[d138_9,d138_4,d138_3,d138_7,d138_8]).
15239ring_size_6(d138,[d138_6,d138_1,d138_2,d138_3,d138_4,d138_5]).
15240ring_size_5(d138,[d138_9,d138_4,d138_3,d138_7,d138_8]).
15241nitro(d138,[d138_1,d138_11,d138_12,d138_13]).
15242benzene(d141,[d141_6,d141_1,d141_2,d141_3,d141_4,d141_5]).
15243ring_size_6(d141,[d141_6,d141_1,d141_2,d141_3,d141_4,d141_5]).
15244nitro(d141,[d141_5,d141_10,d141_13,d141_14]).
15245benzene(d144,[d144_6,d144_1,d144_2,d144_3,d144_4,d144_5]).
15246ring_size_6(d144,[d144_6,d144_1,d144_2,d144_3,d144_4,d144_5]).
15247nitro(d144,[d144_5,d144_10,d144_13,d144_14]).
15248benzene(d147,[d147_6,d147_1,d147_2,d147_3,d147_4,d147_5]).
15249hetero_aromatic_5_ring(d147,[d147_9,d147_4,d147_3,d147_7,d147_8]).
15250ring_size_6(d147,[d147_6,d147_1,d147_2,d147_3,d147_4,d147_5]).
15251ring_size_5(d147,[d147_9,d147_4,d147_3,d147_7,d147_8]).
15252nitro(d147,[d147_6,d147_11,d147_12,d147_13]).
15253benzene(d186,[d186_6,d186_1,d186_2,d186_3,d186_4,d186_5]).
15254ring_size_6(d186,[d186_6,d186_1,d186_2,d186_3,d186_4,d186_5]).
15255ring_size_5(d186,[d186_4,d186_12,d186_11,d186_10,d186_3]).
15256nitro(d186,[d186_6,d186_18,d186_19,d186_20]).
15257benzene(d188,[d188_6,d188_1,d188_2,d188_3,d188_4,d188_5]).
15258benzene(d188,[d188_16,d188_11,d188_12,d188_13,d188_14,d188_15]).
15259ring_size_6(d188,[d188_6,d188_1,d188_2,d188_3,d188_4,d188_5]).
15260ring_size_6(d188,[d188_16,d188_11,d188_12,d188_13,d188_14,d188_15]).
15261ring_size_5(d188,[d188_4,d188_16,d188_11,d188_20,d188_3]).
15262nitro(d188,[d188_14,d188_22,d188_23,d188_24]).
15263benzene(d3,[d3_6,d3_1,d3_2,d3_3,d3_4,d3_5]).
15264hetero_aromatic_6_ring(d3,[d3_4,d3_13,d3_12,d3_11,d3_10,d3_3]).
15265ring_size_6(d3,[d3_6,d3_1,d3_2,d3_3,d3_4,d3_5]).
15266ring_size_6(d3,[d3_4,d3_13,d3_12,d3_11,d3_10,d3_3]).
15267nitro(d3,[d3_5,d3_17,d3_18,d3_19]).
15268benzene(d5,[d5_6,d5_1,d5_2,d5_3,d5_4,d5_5]).
15269ring_size_6(d5,[d5_6,d5_1,d5_2,d5_3,d5_4,d5_5]).
15270nitro(d5,[d5_5,d5_10,d5_13,d5_14]).
15271benzene(d7,[d7_6,d7_1,d7_2,d7_3,d7_4,d7_5]).
15272benzene(d7,[d7_17,d7_12,d7_13,d7_14,d7_15,d7_16]).
15273ring_size_6(d7,[d7_6,d7_1,d7_2,d7_3,d7_4,d7_5]).
15274ring_size_6(d7,[d7_17,d7_12,d7_13,d7_14,d7_15,d7_16]).
15275nitro(d7,[d7_15,d7_25,d7_26,d7_27]).
15276benzene(d9,[d9_6,d9_1,d9_2,d9_3,d9_4,d9_5]).
15277hetero_aromatic_5_ring(d9,[d9_9,d9_3,d9_4,d9_7,d9_8]).
15278ring_size_6(d9,[d9_6,d9_1,d9_2,d9_3,d9_4,d9_5]).
15279ring_size_5(d9,[d9_9,d9_3,d9_4,d9_7,d9_8]).
15280nitro(d9,[d9_6,d9_10,d9_11,d9_12]).
15281benzene(d14,[d14_6,d14_1,d14_2,d14_3,d14_4,d14_5]).
15282hetero_aromatic_5_ring(d14,[d14_9,d14_3,d14_4,d14_7,d14_8]).
15283ring_size_6(d14,[d14_6,d14_1,d14_2,d14_3,d14_4,d14_5]).
15284ring_size_5(d14,[d14_9,d14_3,d14_4,d14_7,d14_8]).
15285nitro(d14,[d14_1,d14_11,d14_12,d14_13]).
15286benzene(d19,[d19_6,d19_1,d19_2,d19_3,d19_4,d19_5]).
15287hetero_aromatic_6_ring(d19,[d19_4,d19_13,d19_12,d19_11,d19_10,d19_3]).
15288ring_size_6(d19,[d19_6,d19_1,d19_2,d19_3,d19_4,d19_5]).
15289ring_size_6(d19,[d19_4,d19_13,d19_12,d19_11,d19_10,d19_3]).
15290nitro(d19,[d19_6,d19_17,d19_18,d19_19]).
15291benzene(d34,[d34_6,d34_1,d34_2,d34_3,d34_4,d34_5]).
15292benzene(d34,[d34_4,d34_14,d34_13,d34_12,d34_11,d34_3]).
15293ring_size_6(d34,[d34_6,d34_1,d34_2,d34_3,d34_4,d34_5]).
15294ring_size_6(d34,[d34_4,d34_14,d34_13,d34_12,d34_11,d34_3]).
15295nitro(d34,[d34_13,d34_18,d34_19,d34_20]).
15296benzene(d36,[d36_6,d36_1,d36_2,d36_3,d36_4,d36_5]).
15297benzene(d36,[d36_4,d36_14,d36_13,d36_12,d36_11,d36_3]).
15298ring_size_6(d36,[d36_6,d36_1,d36_2,d36_3,d36_4,d36_5]).
15299ring_size_6(d36,[d36_4,d36_14,d36_13,d36_12,d36_11,d36_3]).
15300nitro(d36,[d36_13,d36_21,d36_22,d36_23]).
15301benzene(d38,[d38_6,d38_1,d38_2,d38_3,d38_4,d38_5]).
15302benzene(d38,[d38_17,d38_12,d38_13,d38_14,d38_15,d38_16]).
15303ring_size_6(d38,[d38_6,d38_1,d38_2,d38_3,d38_4,d38_5]).
15304ring_size_6(d38,[d38_17,d38_12,d38_13,d38_14,d38_15,d38_16]).
15305nitro(d38,[d38_15,d38_22,d38_23,d38_24]).
15306benzene(d39,[d39_6,d39_1,d39_2,d39_3,d39_4,d39_5]).
15307hetero_aromatic_6_ring(d39,[d39_9,d39_10,d39_11,d39_12,d39_4,d39_3]).
15308ring_size_6(d39,[d39_6,d39_1,d39_2,d39_3,d39_4,d39_5]).
15309ring_size_6(d39,[d39_9,d39_10,d39_11,d39_12,d39_4,d39_3]).
15310nitro(d39,[d39_2,d39_16,d39_17,d39_18]).
15311benzene(d40,[d40_6,d40_1,d40_2,d40_3,d40_4,d40_5]).
15312benzene(d40,[d40_4,d40_14,d40_13,d40_12,d40_11,d40_3]).
15313ring_size_6(d40,[d40_6,d40_1,d40_2,d40_3,d40_4,d40_5]).
15314ring_size_6(d40,[d40_4,d40_14,d40_13,d40_12,d40_11,d40_3]).
15315nitro(d40,[d40_14,d40_18,d40_19,d40_20]).
15316benzene(d55,[d55_6,d55_1,d55_2,d55_3,d55_4,d55_5]).
15317benzene(d55,[d55_4,d55_14,d55_13,d55_12,d55_11,d55_3]).
15318ring_size_6(d55,[d55_6,d55_1,d55_2,d55_3,d55_4,d55_5]).
15319ring_size_6(d55,[d55_4,d55_14,d55_13,d55_12,d55_11,d55_3]).
15320nitro(d55,[d55_13,d55_21,d55_22,d55_23]).
15321benzene(d62,[d62_6,d62_1,d62_2,d62_3,d62_4,d62_5]).
15322ring_size_6(d62,[d62_6,d62_1,d62_2,d62_3,d62_4,d62_5]).
15323nitro(d62,[d62_1,d62_13,d62_14,d62_15]).
15324benzene(d65,[d65_6,d65_1,d65_2,d65_3,d65_4,d65_5]).
15325benzene(d65,[d65_4,d65_14,d65_13,d65_12,d65_11,d65_3]).
15326ring_size_6(d65,[d65_6,d65_1,d65_2,d65_3,d65_4,d65_5]).
15327ring_size_6(d65,[d65_4,d65_14,d65_13,d65_12,d65_11,d65_3]).
15328nitro(d65,[d65_14,d65_17,d65_19,d65_20]).
15329nitro(d65,[d65_12,d65_18,d65_21,d65_22]).
15330benzene(d66,[d66_6,d66_1,d66_2,d66_3,d66_4,d66_5]).
15331benzene(d66,[d66_16,d66_11,d66_12,d66_13,d66_14,d66_15]).
15332ring_size_6(d66,[d66_6,d66_1,d66_2,d66_3,d66_4,d66_5]).
15333ring_size_6(d66,[d66_16,d66_11,d66_12,d66_13,d66_14,d66_15]).
15334nitro(d66,[d66_6,d66_22,d66_23,d66_24]).
15335benzene(d73,[d73_6,d73_1,d73_2,d73_3,d73_4,d73_5]).
15336benzene(d73,[d73_16,d73_11,d73_12,d73_13,d73_14,d73_15]).
15337ring_size_6(d73,[d73_6,d73_1,d73_2,d73_3,d73_4,d73_5]).
15338ring_size_6(d73,[d73_16,d73_11,d73_12,d73_13,d73_14,d73_15]).
15339nitro(d73,[d73_5,d73_22,d73_23,d73_24]).
15340benzene(d76,[d76_6,d76_1,d76_2,d76_3,d76_4,d76_5]).
15341ring_size_6(d76,[d76_6,d76_1,d76_2,d76_3,d76_4,d76_5]).
15342nitro(d76,[d76_5,d76_11,d76_13,d76_14]).
15343benzene(d78,[d78_6,d78_1,d78_2,d78_3,d78_4,d78_5]).
15344benzene(d78,[d78_16,d78_11,d78_12,d78_13,d78_14,d78_15]).
15345ring_size_6(d78,[d78_6,d78_1,d78_2,d78_3,d78_4,d78_5]).
15346ring_size_6(d78,[d78_16,d78_11,d78_12,d78_13,d78_14,d78_15]).
15347nitro(d78,[d78_14,d78_25,d78_26,d78_27]).
15348benzene(d84,[d84_6,d84_1,d84_2,d84_3,d84_4,d84_5]).
15349ring_size_6(d84,[d84_6,d84_1,d84_2,d84_3,d84_4,d84_5]).
15350nitro(d84,[d84_2,d84_16,d84_17,d84_18]).
15351benzene(d88,[d88_6,d88_1,d88_2,d88_3,d88_4,d88_5]).
15352ring_size_6(d88,[d88_6,d88_1,d88_2,d88_3,d88_4,d88_5]).
15353nitro(d88,[d88_2,d88_17,d88_18,d88_19]).
15354benzene(d100,[d100_6,d100_1,d100_2,d100_3,d100_4,d100_5]).
15355benzene(d100,[d100_16,d100_11,d100_12,d100_13,d100_14,d100_15]).
15356ring_size_6(d100,[d100_6,d100_1,d100_2,d100_3,d100_4,d100_5]).
15357ring_size_6(d100,[d100_16,d100_11,d100_12,d100_13,d100_14,d100_15]).
15358nitro(d100,[d100_6,d100_22,d100_23,d100_24]).
15359benzene(d110,[d110_6,d110_1,d110_2,d110_3,d110_4,d110_5]).
15360benzene(d110,[d110_15,d110_10,d110_11,d110_12,d110_13,d110_14]).
15361ring_size_6(d110,[d110_6,d110_1,d110_2,d110_3,d110_4,d110_5]).
15362ring_size_6(d110,[d110_15,d110_10,d110_11,d110_12,d110_13,d110_14]).
15363nitro(d110,[d110_15,d110_19,d110_25,d110_26]).
15364nitro(d110,[d110_13,d110_20,d110_27,d110_28]).
15365nitro(d110,[d110_5,d110_21,d110_23,d110_24]).
15366nitro(d110,[d110_3,d110_22,d110_29,d110_30]).
15367benzene(d113,[d113_6,d113_1,d113_2,d113_3,d113_4,d113_5]).
15368ring_size_6(d113,[d113_6,d113_1,d113_2,d113_3,d113_4,d113_5]).
15369nitro(d113,[d113_4,d113_11,d113_13,d113_14]).
15370nitro(d113,[d113_2,d113_12,d113_15,d113_16]).
15371benzene(d116,[d116_6,d116_1,d116_2,d116_3,d116_4,d116_5]).
15372ring_size_6(d116,[d116_6,d116_1,d116_2,d116_3,d116_4,d116_5]).
15373nitro(d116,[d116_5,d116_11,d116_13,d116_14]).
15374benzene(d123,[d123_6,d123_1,d123_2,d123_3,d123_4,d123_5]).
15375benzene(d123,[d123_16,d123_11,d123_12,d123_13,d123_14,d123_15]).
15376ring_size_6(d123,[d123_6,d123_1,d123_2,d123_3,d123_4,d123_5]).
15377ring_size_6(d123,[d123_16,d123_11,d123_12,d123_13,d123_14,d123_15]).
15378nitro(d123,[d123_14,d123_28,d123_29,d123_30]).
15379benzene(d124,[d124_6,d124_1,d124_2,d124_3,d124_4,d124_5]).
15380ring_size_6(d124,[d124_6,d124_1,d124_2,d124_3,d124_4,d124_5]).
15381nitro(d124,[d124_5,d124_10,d124_13,d124_14]).
15382benzene(d129,[d129_6,d129_1,d129_2,d129_3,d129_4,d129_5]).
15383ring_size_6(d129,[d129_6,d129_1,d129_2,d129_3,d129_4,d129_5]).
15384nitro(d129,[d129_4,d129_15,d129_17,d129_18]).
15385nitro(d129,[d129_2,d129_16,d129_19,d129_20]).
15386benzene(d133,[d133_6,d133_1,d133_2,d133_3,d133_4,d133_5]).
15387benzene(d133,[d133_16,d133_11,d133_10,d133_13,d133_14,d133_15]).
15388ring_size_6(d133,[d133_6,d133_1,d133_2,d133_3,d133_4,d133_5]).
15389ring_size_6(d133,[d133_9,d133_10,d133_11,d133_12,d133_4,d133_3]).
15390ring_size_6(d133,[d133_16,d133_11,d133_10,d133_13,d133_14,d133_15]).
15391nitro(d133,[d133_15,d133_18,d133_23,d133_24]).
15392benzene(d135,[d135_6,d135_1,d135_2,d135_3,d135_4,d135_5]).
15393ring_size_6(d135,[d135_6,d135_1,d135_2,d135_3,d135_4,d135_5]).
15394nitro(d135,[d135_5,d135_10,d135_11,d135_12]).
15395benzene(d139,[d139_6,d139_1,d139_2,d139_3,d139_4,d139_5]).
15396ring_size_6(d139,[d139_6,d139_1,d139_2,d139_3,d139_4,d139_5]).
15397nitro(d139,[d139_4,d139_13,d139_15,d139_16]).
15398benzene(d142,[d142_6,d142_1,d142_2,d142_3,d142_4,d142_5]).
15399benzene(d142,[d142_16,d142_11,d142_10,d142_13,d142_14,d142_15]).
15400ring_size_6(d142,[d142_6,d142_1,d142_2,d142_3,d142_4,d142_5]).
15401ring_size_6(d142,[d142_9,d142_10,d142_11,d142_12,d142_4,d142_3]).
15402ring_size_6(d142,[d142_16,d142_11,d142_10,d142_13,d142_14,d142_15]).
15403nitro(d142,[d142_6,d142_19,d142_20,d142_21]).
15404benzene(d143,[d143_6,d143_1,d143_2,d143_3,d143_4,d143_5]).
15405benzene(d143,[d143_17,d143_12,d143_13,d143_14,d143_15,d143_16]).
15406ring_size_6(d143,[d143_6,d143_1,d143_2,d143_3,d143_4,d143_5]).
15407ring_size_6(d143,[d143_17,d143_12,d143_13,d143_14,d143_15,d143_16]).
15408nitro(d143,[d143_4,d143_23,d143_24,d143_25]).
15409hetero_aromatic_5_ring(d150,[d150_5,d150_1,d150_2,d150_3,d150_4]).
15410ring_size_5(d150,[d150_5,d150_1,d150_2,d150_3,d150_4]).
15411nitro(d150,[d150_1,d150_6,d150_7,d150_8]).
15412benzene(d154,[d154_6,d154_1,d154_2,d154_3,d154_4,d154_5]).
15413hetero_aromatic_5_ring(d154,[d154_9,d154_4,d154_3,d154_7,d154_8]).
15414ring_size_6(d154,[d154_6,d154_1,d154_2,d154_3,d154_4,d154_5]).
15415ring_size_5(d154,[d154_9,d154_4,d154_3,d154_7,d154_8]).
15416nitro(d154,[d154_8,d154_10,d154_11,d154_12]).
15417benzene(d155,[d155_6,d155_1,d155_2,d155_3,d155_4,d155_5]).
15418ring_size_6(d155,[d155_6,d155_1,d155_2,d155_3,d155_4,d155_5]).
15419nitro(d155,[d155_4,d155_15,d155_17,d155_18]).
15420nitro(d155,[d155_2,d155_16,d155_19,d155_20]).
15421benzene(d156,[d156_6,d156_1,d156_2,d156_3,d156_4,d156_5]).
15422ring_size_6(d156,[d156_6,d156_1,d156_2,d156_3,d156_4,d156_5]).
15423ring_size_5(d156,[d156_4,d156_12,d156_11,d156_10,d156_3]).
15424nitro(d156,[d156_1,d156_18,d156_19,d156_20]).
15425benzene(d160,[d160_6,d160_1,d160_2,d160_3,d160_4,d160_5]).
15426ring_size_6(d160,[d160_6,d160_1,d160_2,d160_3,d160_4,d160_5]).
15427nitro(d160,[d160_2,d160_13,d160_17,d160_18]).
15428nitro(d160,[d160_6,d160_14,d160_15,d160_16]).
15429benzene(d168,[d168_6,d168_1,d168_2,d168_3,d168_4,d168_5]).
15430ring_size_6(d168,[d168_6,d168_1,d168_2,d168_3,d168_4,d168_5]).
15431nitro(d168,[d168_2,d168_16,d168_17,d168_18]).
15432benzene(d175,[d175_6,d175_1,d175_2,d175_3,d175_4,d175_5]).
15433benzene(d175,[d175_16,d175_11,d175_10,d175_13,d175_14,d175_15]).
15434ring_size_6(d175,[d175_6,d175_1,d175_2,d175_3,d175_4,d175_5]).
15435ring_size_6(d175,[d175_9,d175_10,d175_11,d175_12,d175_4,d175_3]).
15436ring_size_6(d175,[d175_16,d175_11,d175_10,d175_13,d175_14,d175_15]).
15437nitro(d175,[d175_14,d175_17,d175_18,d175_19]).
15438benzene(d179,[d179_6,d179_1,d179_2,d179_3,d179_4,d179_5]).
15439benzene(d179,[d179_21,d179_16,d179_17,d179_18,d179_19,d179_20]).
15440ring_size_6(d179,[d179_6,d179_1,d179_2,d179_3,d179_4,d179_5]).
15441ring_size_6(d179,[d179_21,d179_16,d179_17,d179_18,d179_19,d179_20]).
15442nitro(d179,[d179_2,d179_26,d179_27,d179_28]).
15443nitro(d179,[d179_19,d179_29,d179_30,d179_31]).
15444benzene(d181,[d181_6,d181_1,d181_2,d181_3,d181_4,d181_5]).
15445ring_size_6(d181,[d181_6,d181_1,d181_2,d181_3,d181_4,d181_5]).
15446nitro(d181,[d181_4,d181_12,d181_13,d181_14]).
15447benzene(d182,[d182_6,d182_1,d182_2,d182_3,d182_4,d182_5]).
15448hetero_aromatic_6_ring(d182,[d182_4,d182_13,d182_12,d182_11,d182_10,d182_3]).
15449ring_size_6(d182,[d182_6,d182_1,d182_2,d182_3,d182_4,d182_5]).
15450ring_size_6(d182,[d182_4,d182_13,d182_12,d182_11,d182_10,d182_3]).
15451nitro(d182,[d182_2,d182_20,d182_21,d182_22]).
15452benzene(d185,[d185_6,d185_1,d185_2,d185_3,d185_4,d185_5]).
15453ring_size_6(d185,[d185_6,d185_1,d185_2,d185_3,d185_4,d185_5]).
15454nitro(d185,[d185_3,d185_11,d185_15,d185_16]).
15455nitro(d185,[d185_2,d185_12,d185_13,d185_14]).
15456benzene(d190,[d190_6,d190_1,d190_2,d190_3,d190_4,d190_5]).
15457hetero_aromatic_5_ring(d190,[d190_9,d190_4,d190_3,d190_7,d190_8]).
15458ring_size_6(d190,[d190_6,d190_1,d190_2,d190_3,d190_4,d190_5]).
15459ring_size_5(d190,[d190_9,d190_4,d190_3,d190_7,d190_8]).
15460nitro(d190,[d190_6,d190_10,d190_11,d190_12]).
15461benzene(d191,[d191_6,d191_1,d191_2,d191_3,d191_4,d191_5]).
15462benzene(d191,[d191_9,d191_10,d191_5,d191_4,d191_7,d191_8]).
15463benzene(d191,[d191_8,d191_14,d191_13,d191_12,d191_11,d191_7]).
15464benzene(d191,[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4]).
15465carbon_5_aromatic_ring(d191,[d191_18,d191_16,d191_11,d191_12,d191_17]).
15466ring_size_6(d191,[d191_6,d191_1,d191_2,d191_3,d191_4,d191_5]).
15467ring_size_6(d191,[d191_9,d191_10,d191_5,d191_4,d191_7,d191_8]).
15468ring_size_6(d191,[d191_8,d191_14,d191_13,d191_12,d191_11,d191_7]).
15469ring_size_6(d191,[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4]).
15470ring_size_5(d191,[d191_18,d191_16,d191_11,d191_12,d191_17]).
15471nitro(d191,[d191_18,d191_28,d191_29,d191_30]).
15472phenanthrene(d191,[[d191_8,d191_14,d191_13,d191_12,d191_11,d191_7],[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4],[d191_6,d191_1,d191_2,d191_3,d191_4,d191_5]]).
15473ball3(d191,[[d191_9,d191_10,d191_5,d191_4,d191_7,d191_8],[d191_8,d191_14,d191_13,d191_12,d191_11,d191_7],[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4]]).
15474ball3(d191,[[d191_9,d191_10,d191_5,d191_4,d191_7,d191_8],[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4],[d191_6,d191_1,d191_2,d191_3,d191_4,d191_5]]).
15475benzene(d194,[d194_6,d194_1,d194_2,d194_3,d194_4,d194_5]).
15476ring_size_6(d194,[d194_6,d194_1,d194_2,d194_3,d194_4,d194_5]).
15477nitro(d194,[d194_2,d194_11,d194_14,d194_15]).
15478benzene(d197,[d197_6,d197_1,d197_2,d197_3,d197_4,d197_5]).
15479hetero_aromatic_5_ring(d197,[d197_9,d197_4,d197_3,d197_7,d197_8]).
15480ring_size_6(d197,[d197_6,d197_1,d197_2,d197_3,d197_4,d197_5]).
15481ring_size_5(d197,[d197_9,d197_4,d197_3,d197_7,d197_8]).
15482nitro(d197,[d197_8,d197_11,d197_12,d197_13]).
15483benzene(e1,[e1_6,e1_1,e1_2,e1_3,e1_4,e1_5]).
15484benzene(e1,[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3]).
15485benzene(e1,[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]).
15486benzene(e1,[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22]).
15487benzene(e1,[e1_28,e1_21,e1_18,e1_17,e1_26,e1_27]).
15488ring_size_6(e1,[e1_6,e1_1,e1_2,e1_3,e1_4,e1_5]).
15489ring_size_6(e1,[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3]).
15490ring_size_6(e1,[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]).
15491ring_size_6(e1,[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22]).
15492ring_size_6(e1,[e1_28,e1_21,e1_18,e1_17,e1_26,e1_27]).
15493nitro(e1,[e1_11,e1_32,e1_33,e1_34]).
15494anthracene(e1,[[e1_6,e1_1,e1_2,e1_3,e1_4,e1_5],[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3],[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]]).
15495phenanthrene(e1,[[e1_6,e1_1,e1_2,e1_3,e1_4,e1_5],[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3],[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22]]).
15496ball3(e1,[[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3],[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22],[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]]).
15497ball3(e1,[[e1_28,e1_21,e1_18,e1_17,e1_26,e1_27],[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22],[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]]).
15498benzene(e2,[e2_6,e2_1,e2_2,e2_3,e2_4,e2_5]).
15499benzene(e2,[e2_9,e2_10,e2_4,e2_3,e2_7,e2_8]).
15500benzene(e2,[e2_9,e2_10,e2_17,e2_16,e2_15,e2_14]).
15501benzene(e2,[e2_20,e2_15,e2_14,e2_13,e2_18,e2_19]).
15502carbon_6_ring(e2,[e2_9,e2_14,e2_13,e2_12,e2_11,e2_8]).
15503ring_size_6(e2,[e2_6,e2_1,e2_2,e2_3,e2_4,e2_5]).
15504ring_size_6(e2,[e2_9,e2_10,e2_4,e2_3,e2_7,e2_8]).
15505ring_size_6(e2,[e2_9,e2_10,e2_17,e2_16,e2_15,e2_14]).
15506ring_size_6(e2,[e2_9,e2_14,e2_13,e2_12,e2_11,e2_8]).
15507ring_size_6(e2,[e2_20,e2_15,e2_14,e2_13,e2_18,e2_19]).
15508nitro(e2,[e2_7,e2_21,e2_22,e2_23]).
15509phenanthrene(e2,[[e2_9,e2_10,e2_4,e2_3,e2_7,e2_8],[e2_9,e2_10,e2_17,e2_16,e2_15,e2_14],[e2_20,e2_15,e2_14,e2_13,e2_18,e2_19]]).
15510benzene(e27,[e27_6,e27_1,e27_2,e27_3,e27_4,e27_5]).
15511benzene(e27,[e27_5,e27_13,e27_12,e27_11,e27_10,e27_4]).
15512benzene(e27,[e27_29,e27_20,e27_18,e27_17,e27_27,e27_28]).
15513benzene(e27,[e27_23,e27_19,e27_18,e27_20,e27_21,e27_22]).
15514carbon_6_ring(e27,[e27_4,e27_10,e27_19,e27_18,e27_17,e27_3]).
15515ring_size_6(e27,[e27_6,e27_1,e27_2,e27_3,e27_4,e27_5]).
15516ring_size_6(e27,[e27_5,e27_13,e27_12,e27_11,e27_10,e27_4]).
15517ring_size_6(e27,[e27_4,e27_10,e27_19,e27_18,e27_17,e27_3]).
15518ring_size_6(e27,[e27_29,e27_20,e27_18,e27_17,e27_27,e27_28]).
15519ring_size_6(e27,[e27_23,e27_19,e27_18,e27_20,e27_21,e27_22]).
15520nitro(e27,[e27_29,e27_32,e27_33,e27_34]).
15521hetero_aromatic_5_ring(f1,[f1_5,f1_1,f1_2,f1_3,f1_4]).
15522ring_size_5(f1,[f1_5,f1_1,f1_2,f1_3,f1_4]).
15523nitro(f1,[f1_4,f1_8,f1_10,f1_9]).
15524carbon_5_aromatic_ring(f2,[f2_5,f2_1,f2_2,f2_3,f2_4]).
15525ring_size_5(f2,[f2_5,f2_1,f2_2,f2_3,f2_4]).
15526nitro(f2,[f2_1,f2_9,f2_10,f2_11]).
15527hetero_aromatic_5_ring(f3,[f3_5,f3_1,f3_2,f3_3,f3_4]).
15528ring_size_5(f3,[f3_5,f3_1,f3_2,f3_3,f3_4]).
15529nitro(f3,[f3_4,f3_8,f3_10,f3_9]).
15530hetero_aromatic_5_ring(f4,[f4_5,f4_1,f4_2,f4_3,f4_4]).
15531ring_size_5(f4,[f4_5,f4_1,f4_2,f4_3,f4_4]).
15532ring_size_5(f4,[f4_22,f4_18,f4_15,f4_17,f4_19]).
15533nitro(f4,[f4_4,f4_8,f4_10,f4_9]).
15534hetero_aromatic_5_ring(f5,[f5_5,f5_1,f5_2,f5_3,f5_4]).
15535ring_size_5(f5,[f5_5,f5_1,f5_2,f5_3,f5_4]).
15536ring_size_5(f5,[f5_9,f5_10,f5_6,f5_7,f5_8]).
15537nitro(f5,[f5_4,f5_16,f5_17,f5_18]).
15538hetero_aromatic_5_ring(f6,[f6_5,f6_1,f6_2,f6_3,f6_4]).
15539ring_size_5(f6,[f6_5,f6_1,f6_2,f6_3,f6_4]).
15540ring_size_5(f6,[f6_20,f6_16,f6_14,f6_15,f6_17]).
15541nitro(f6,[f6_4,f6_8,f6_10,f6_9]).
15542benzene(d189,[d189_6,d189_1,d189_2,d189_3,d189_4,d189_5]).
15543benzene(d189,[d189_9,d189_10,d189_11,d189_12,d189_4,d189_3]).
15544ring_size_6(d189,[d189_6,d189_1,d189_2,d189_3,d189_4,d189_5]).
15545ring_size_6(d189,[d189_9,d189_10,d189_11,d189_12,d189_4,d189_3]).
15546nitro(d189,[d189_12,d189_15,d189_21,d189_22]).
15547nitro(d189,[d189_10,d189_16,d189_23,d189_24]).
15548nitro(d189,[d189_5,d189_17,d189_19,d189_20]).
15549nitro(d189,[d189_1,d189_18,d189_25,d189_26]).
15550benzene(d192,[d192_6,d192_1,d192_2,d192_3,d192_4,d192_5]).
15551benzene(d192,[d192_4,d192_14,d192_13,d192_12,d192_11,d192_3]).
15552benzene(d192,[d192_19,d192_14,d192_13,d192_16,d192_17,d192_18]).
15553benzene(d192,[d192_25,d192_17,d192_16,d192_22,d192_23,d192_24]).
15554ring_size_6(d192,[d192_6,d192_1,d192_2,d192_3,d192_4,d192_5]).
15555ring_size_6(d192,[d192_4,d192_14,d192_13,d192_12,d192_11,d192_3]).
15556ring_size_6(d192,[d192_19,d192_14,d192_13,d192_16,d192_17,d192_18]).
15557ring_size_6(d192,[d192_25,d192_17,d192_16,d192_22,d192_23,d192_24]).
15558nitro(d192,[d192_12,d192_30,d192_31,d192_32]).
15559phenanthrene(d192,[[d192_6,d192_1,d192_2,d192_3,d192_4,d192_5],[d192_4,d192_14,d192_13,d192_12,d192_11,d192_3],[d192_19,d192_14,d192_13,d192_16,d192_17,d192_18]]).
15560benzene(d193,[d193_6,d193_1,d193_2,d193_3,d193_4,d193_5]).
15561benzene(d193,[d193_4,d193_14,d193_13,d193_12,d193_11,d193_3]).
15562benzene(d193,[d193_19,d193_14,d193_13,d193_16,d193_17,d193_18]).
15563benzene(d193,[d193_25,d193_17,d193_16,d193_22,d193_23,d193_24]).
15564ring_size_6(d193,[d193_6,d193_1,d193_2,d193_3,d193_4,d193_5]).
15565ring_size_6(d193,[d193_4,d193_14,d193_13,d193_12,d193_11,d193_3]).
15566ring_size_6(d193,[d193_19,d193_14,d193_13,d193_16,d193_17,d193_18]).
15567ring_size_6(d193,[d193_25,d193_17,d193_16,d193_22,d193_23,d193_24]).
15568nitro(d193,[d193_24,d193_30,d193_31,d193_32]).
15569phenanthrene(d193,[[d193_6,d193_1,d193_2,d193_3,d193_4,d193_5],[d193_4,d193_14,d193_13,d193_12,d193_11,d193_3],[d193_19,d193_14,d193_13,d193_16,d193_17,d193_18]]).
15570benzene(d195,[d195_6,d195_1,d195_2,d195_3,d195_4,d195_5]).
15571ring_size_6(d195,[d195_6,d195_1,d195_2,d195_3,d195_4,d195_5]).
15572nitro(d195,[d195_2,d195_12,d195_13,d195_14]).
15573benzene(d196,[d196_6,d196_1,d196_2,d196_3,d196_4,d196_5]).
15574benzene(d196,[d196_16,d196_11,d196_12,d196_13,d196_14,d196_15]).
15575ring_size_6(d196,[d196_6,d196_1,d196_2,d196_3,d196_4,d196_5]).
15576ring_size_6(d196,[d196_16,d196_11,d196_12,d196_13,d196_14,d196_15]).
15577ring_size_5(d196,[d196_4,d196_16,d196_11,d196_19,d196_3]).
15578nitro(d196,[d196_15,d196_22,d196_23,d196_24]).
15579benzene(e3,[e3_6,e3_1,e3_2,e3_3,e3_4,e3_5]).
15580ring_size_6(e3,[e3_6,e3_1,e3_2,e3_3,e3_4,e3_5]).
15581ring_size_5(e3,[e3_4,e3_12,e3_11,e3_10,e3_3]).
15582nitro(e3,[e3_6,e3_17,e3_18,e3_19]).
15583benzene(e4,[e4_6,e4_1,e4_2,e4_3,e4_4,e4_5]).
15584hetero_aromatic_5_ring(e4,[e4_9,e4_4,e4_3,e4_7,e4_8]).
15585ring_size_6(e4,[e4_6,e4_1,e4_2,e4_3,e4_4,e4_5]).
15586ring_size_5(e4,[e4_9,e4_4,e4_3,e4_7,e4_8]).
15587nitro(e4,[e4_6,e4_11,e4_12,e4_13]).
15588benzene(e5,[e5_6,e5_1,e5_2,e5_3,e5_4,e5_5]).
15589ring_size_6(e5,[e5_6,e5_1,e5_2,e5_3,e5_4,e5_5]).
15590nitro(e5,[e5_5,e5_12,e5_13,e5_14]).
15591benzene(e6,[e6_6,e6_1,e6_2,e6_3,e6_4,e6_5]).
15592hetero_aromatic_5_ring(e6,[e6_9,e6_4,e6_3,e6_7,e6_8]).
15593ring_size_6(e6,[e6_6,e6_1,e6_2,e6_3,e6_4,e6_5]).
15594ring_size_5(e6,[e6_9,e6_4,e6_3,e6_7,e6_8]).
15595nitro(e6,[e6_2,e6_11,e6_12,e6_13]).
15596benzene(e7,[e7_6,e7_1,e7_2,e7_3,e7_4,e7_5]).
15597hetero_aromatic_5_ring(e7,[e7_9,e7_4,e7_3,e7_7,e7_8]).
15598ring_size_6(e7,[e7_6,e7_1,e7_2,e7_3,e7_4,e7_5]).
15599ring_size_5(e7,[e7_9,e7_4,e7_3,e7_7,e7_8]).
15600nitro(e7,[e7_5,e7_10,e7_11,e7_12]).
15601benzene(e8,[e8_6,e8_1,e8_2,e8_3,e8_4,e8_5]).
15602hetero_aromatic_5_ring(e8,[e8_9,e8_4,e8_3,e8_7,e8_8]).
15603ring_size_6(e8,[e8_6,e8_1,e8_2,e8_3,e8_4,e8_5]).
15604ring_size_5(e8,[e8_9,e8_4,e8_3,e8_7,e8_8]).
15605nitro(e8,[e8_6,e8_10,e8_11,e8_12]).
15606benzene(e9,[e9_6,e9_1,e9_2,e9_3,e9_4,e9_5]).
15607ring_size_6(e9,[e9_6,e9_1,e9_2,e9_3,e9_4,e9_5]).
15608nitro(e9,[e9_5,e9_11,e9_13,e9_14]).
15609benzene(e10,[e10_6,e10_1,e10_2,e10_3,e10_4,e10_5]).
15610hetero_aromatic_5_ring(e10,[e10_9,e10_4,e10_3,e10_7,e10_8]).
15611ring_size_6(e10,[e10_6,e10_1,e10_2,e10_3,e10_4,e10_5]).
15612ring_size_5(e10,[e10_9,e10_4,e10_3,e10_7,e10_8]).
15613nitro(e10,[e10_2,e10_10,e10_11,e10_12]).
15614benzene(e11,[e11_6,e11_1,e11_2,e11_3,e11_4,e11_5]).
15615ring_size_6(e11,[e11_6,e11_1,e11_2,e11_3,e11_4,e11_5]).
15616nitro(e11,[e11_5,e11_10,e11_11,e11_12]).
15617benzene(e12,[e12_6,e12_1,e12_2,e12_3,e12_4,e12_5]).
15618ring_size_6(e12,[e12_6,e12_1,e12_2,e12_3,e12_4,e12_5]).
15619nitro(e12,[e12_5,e12_10,e12_11,e12_12]).
15620nitro(e12,[e12_4,e12_14,e12_15,e12_16]).
15621benzene(e13,[e13_6,e13_1,e13_2,e13_3,e13_4,e13_5]).
15622ring_size_6(e13,[e13_6,e13_1,e13_2,e13_3,e13_4,e13_5]).
15623nitro(e13,[e13_5,e13_10,e13_11,e13_12]).
15624benzene(e14,[e14_6,e14_1,e14_2,e14_3,e14_4,e14_5]).
15625ring_size_6(e14,[e14_6,e14_1,e14_2,e14_3,e14_4,e14_5]).
15626nitro(e14,[e14_5,e14_9,e14_10,e14_11]).
15627benzene(e15,[e15_6,e15_1,e15_2,e15_3,e15_4,e15_5]).
15628benzene(e15,[e15_4,e15_14,e15_13,e15_12,e15_11,e15_3]).
15629benzene(e15,[e15_19,e15_13,e15_12,e15_16,e15_17,e15_18]).
15630benzene(e15,[e15_25,e15_19,e15_18,e15_22,e15_23,e15_24]).
15631ring_size_6(e15,[e15_6,e15_1,e15_2,e15_3,e15_4,e15_5]).
15632ring_size_6(e15,[e15_4,e15_14,e15_13,e15_12,e15_11,e15_3]).
15633ring_size_6(e15,[e15_19,e15_13,e15_12,e15_16,e15_17,e15_18]).
15634ring_size_6(e15,[e15_25,e15_19,e15_18,e15_22,e15_23,e15_24]).
15635nitro(e15,[e15_11,e15_30,e15_31,e15_32]).
15636anthracene(e15,[[e15_6,e15_1,e15_2,e15_3,e15_4,e15_5],[e15_4,e15_14,e15_13,e15_12,e15_11,e15_3],[e15_19,e15_13,e15_12,e15_16,e15_17,e15_18]]).
15637benzene(e16,[e16_6,e16_1,e16_2,e16_3,e16_4,e16_5]).
15638ring_size_6(e16,[e16_6,e16_1,e16_2,e16_3,e16_4,e16_5]).
15639nitro(e16,[e16_5,e16_9,e16_10,e16_11]).
15640benzene(e17,[e17_6,e17_1,e17_2,e17_3,e17_4,e17_5]).
15641benzene(e17,[e17_4,e17_14,e17_13,e17_12,e17_11,e17_3]).
15642benzene(e17,[e17_19,e17_13,e17_12,e17_16,e17_17,e17_18]).
15643ring_size_6(e17,[e17_6,e17_1,e17_2,e17_3,e17_4,e17_5]).
15644ring_size_6(e17,[e17_4,e17_14,e17_13,e17_12,e17_11,e17_3]).
15645ring_size_6(e17,[e17_19,e17_13,e17_12,e17_16,e17_17,e17_18]).
15646nitro(e17,[e17_14,e17_24,e17_25,e17_26]).
15647anthracene(e17,[[e17_6,e17_1,e17_2,e17_3,e17_4,e17_5],[e17_4,e17_14,e17_13,e17_12,e17_11,e17_3],[e17_19,e17_13,e17_12,e17_16,e17_17,e17_18]]).
15648benzene(e18,[e18_6,e18_1,e18_2,e18_3,e18_4,e18_5]).
15649ring_size_6(e18,[e18_6,e18_1,e18_2,e18_3,e18_4,e18_5]).
15650nitro(e18,[e18_5,e18_9,e18_10,e18_11]).
15651benzene(e19,[e19_6,e19_1,e19_2,e19_3,e19_4,e19_5]).
15652benzene(e19,[e19_9,e19_10,e19_4,e19_3,e19_7,e19_8]).
15653carbon_6_ring(e19,[e19_9,e19_14,e19_13,e19_12,e19_11,e19_8]).
15654ring_size_6(e19,[e19_6,e19_1,e19_2,e19_3,e19_4,e19_5]).
15655ring_size_6(e19,[e19_9,e19_10,e19_4,e19_3,e19_7,e19_8]).
15656ring_size_6(e19,[e19_9,e19_14,e19_13,e19_12,e19_11,e19_8]).
15657nitro(e19,[e19_10,e19_15,e19_16,e19_17]).
15658benzene(e20,[e20_6,e20_1,e20_2,e20_3,e20_4,e20_5]).
15659benzene(e20,[e20_9,e20_10,e20_4,e20_3,e20_7,e20_8]).
15660carbon_6_ring(e20,[e20_9,e20_14,e20_13,e20_12,e20_11,e20_8]).
15661ring_size_6(e20,[e20_6,e20_1,e20_2,e20_3,e20_4,e20_5]).
15662ring_size_6(e20,[e20_9,e20_10,e20_4,e20_3,e20_7,e20_8]).
15663ring_size_6(e20,[e20_9,e20_14,e20_13,e20_12,e20_11,e20_8]).
15664nitro(e20,[e20_10,e20_15,e20_16,e20_17]).
15665benzene(e21,[e21_9,e21_10,e21_4,e21_3,e21_7,e21_8]).
15666benzene(e21,[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14]).
15667benzene(e21,[e21_9,e21_14,e21_13,e21_12,e21_11,e21_8]).
15668benzene(e21,[e21_20,e21_15,e21_14,e21_13,e21_18,e21_19]).
15669carbon_6_ring(e21,[e21_6,e21_1,e21_2,e21_3,e21_4,e21_5]).
15670ring_size_6(e21,[e21_6,e21_1,e21_2,e21_3,e21_4,e21_5]).
15671ring_size_6(e21,[e21_9,e21_10,e21_4,e21_3,e21_7,e21_8]).
15672ring_size_6(e21,[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14]).
15673ring_size_6(e21,[e21_9,e21_14,e21_13,e21_12,e21_11,e21_8]).
15674ring_size_6(e21,[e21_20,e21_15,e21_14,e21_13,e21_18,e21_19]).
15675nitro(e21,[e21_7,e21_21,e21_22,e21_23]).
15676phenanthrene(e21,[[e21_9,e21_10,e21_4,e21_3,e21_7,e21_8],[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14],[e21_20,e21_15,e21_14,e21_13,e21_18,e21_19]]).
15677ball3(e21,[[e21_9,e21_14,e21_13,e21_12,e21_11,e21_8],[e21_9,e21_10,e21_4,e21_3,e21_7,e21_8],[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14]]).
15678ball3(e21,[[e21_9,e21_14,e21_13,e21_12,e21_11,e21_8],[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14],[e21_20,e21_15,e21_14,e21_13,e21_18,e21_19]]).
15679benzene(e22,[e22_9,e22_10,e22_4,e22_3,e22_7,e22_8]).
15680benzene(e22,[e22_9,e22_14,e22_13,e22_12,e22_11,e22_8]).
15681benzene(e22,[e22_18,e22_14,e22_13,e22_15,e22_16,e22_17]).
15682carbon_6_ring(e22,[e22_6,e22_1,e22_2,e22_3,e22_4,e22_5]).
15683ring_size_6(e22,[e22_6,e22_1,e22_2,e22_3,e22_4,e22_5]).
15684ring_size_6(e22,[e22_9,e22_10,e22_4,e22_3,e22_7,e22_8]).
15685ring_size_6(e22,[e22_9,e22_14,e22_13,e22_12,e22_11,e22_8]).
15686ring_size_6(e22,[e22_18,e22_14,e22_13,e22_15,e22_16,e22_17]).
15687nitro(e22,[e22_7,e22_19,e22_20,e22_21]).
15688benzene(e23,[e23_6,e23_1,e23_2,e23_3,e23_4,e23_5]).
15689benzene(e23,[e23_9,e23_10,e23_4,e23_3,e23_7,e23_8]).
15690benzene(e23,[e23_9,e23_14,e23_13,e23_12,e23_11,e23_8]).
15691carbon_6_ring(e23,[e23_18,e23_14,e23_13,e23_15,e23_16,e23_17]).
15692ring_size_6(e23,[e23_6,e23_1,e23_2,e23_3,e23_4,e23_5]).
15693ring_size_6(e23,[e23_9,e23_10,e23_4,e23_3,e23_7,e23_8]).
15694ring_size_6(e23,[e23_9,e23_14,e23_13,e23_12,e23_11,e23_8]).
15695ring_size_6(e23,[e23_18,e23_14,e23_13,e23_15,e23_16,e23_17]).
15696nitro(e23,[e23_7,e23_19,e23_20,e23_21]).
15697anthracene(e23,[[e23_9,e23_14,e23_13,e23_12,e23_11,e23_8],[e23_9,e23_10,e23_4,e23_3,e23_7,e23_8],[e23_6,e23_1,e23_2,e23_3,e23_4,e23_5]]).
15698benzene(e24,[e24_6,e24_1,e24_17,e24_16,e24_15,e24_14]).
15699benzene(e24,[e24_3,e24_2,e24_22,e24_23,e24_24,e24_25]).
15700benzene(e24,[e24_9,e24_10,e24_5,e24_4,e24_7,e24_8]).
15701carbon_6_ring(e24,[e24_6,e24_1,e24_2,e24_3,e24_4,e24_5]).
15702ring_size_6(e24,[e24_6,e24_1,e24_2,e24_3,e24_4,e24_5]).
15703ring_size_6(e24,[e24_6,e24_1,e24_17,e24_16,e24_15,e24_14]).
15704ring_size_6(e24,[e24_3,e24_2,e24_22,e24_23,e24_24,e24_25]).
15705ring_size_6(e24,[e24_9,e24_10,e24_5,e24_4,e24_7,e24_8]).
15706nitro(e24,[e24_10,e24_30,e24_31,e24_32]).
15707benzene(e25,[e25_9,e25_10,e25_4,e25_3,e25_7,e25_8]).
15708benzene(e25,[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14]).
15709benzene(e25,[e25_9,e25_14,e25_13,e25_12,e25_11,e25_8]).
15710benzene(e25,[e25_20,e25_15,e25_14,e25_13,e25_18,e25_19]).
15711carbon_6_ring(e25,[e25_6,e25_1,e25_2,e25_3,e25_4,e25_5]).
15712ring_size_6(e25,[e25_6,e25_1,e25_2,e25_3,e25_4,e25_5]).
15713ring_size_6(e25,[e25_9,e25_10,e25_4,e25_3,e25_7,e25_8]).
15714ring_size_6(e25,[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14]).
15715ring_size_6(e25,[e25_9,e25_14,e25_13,e25_12,e25_11,e25_8]).
15716ring_size_6(e25,[e25_20,e25_15,e25_14,e25_13,e25_18,e25_19]).
15717nitro(e25,[e25_7,e25_21,e25_22,e25_23]).
15718phenanthrene(e25,[[e25_9,e25_10,e25_4,e25_3,e25_7,e25_8],[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14],[e25_20,e25_15,e25_14,e25_13,e25_18,e25_19]]).
15719ball3(e25,[[e25_9,e25_14,e25_13,e25_12,e25_11,e25_8],[e25_9,e25_10,e25_4,e25_3,e25_7,e25_8],[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14]]).
15720ball3(e25,[[e25_9,e25_14,e25_13,e25_12,e25_11,e25_8],[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14],[e25_20,e25_15,e25_14,e25_13,e25_18,e25_19]]).
15721benzene(e26,[e26_6,e26_1,e26_2,e26_3,e26_4,e26_5]).
15722benzene(e26,[e26_9,e26_10,e26_4,e26_3,e26_7,e26_8]).
15723benzene(e26,[e26_9,e26_14,e26_13,e26_12,e26_11,e26_8]).
15724benzene(e26,[e26_18,e26_14,e26_13,e26_15,e26_16,e26_17]).
15725ring_size_6(e26,[e26_6,e26_1,e26_2,e26_3,e26_4,e26_5]).
15726ring_size_6(e26,[e26_9,e26_10,e26_4,e26_3,e26_7,e26_8]).
15727ring_size_6(e26,[e26_9,e26_14,e26_13,e26_12,e26_11,e26_8]).
15728ring_size_6(e26,[e26_18,e26_14,e26_13,e26_15,e26_16,e26_17]).
15729nitro(e26,[e26_7,e26_31,e26_32,e26_33]).
15730anthracene(e26,[[e26_9,e26_14,e26_13,e26_12,e26_11,e26_8],[e26_9,e26_10,e26_4,e26_3,e26_7,e26_8],[e26_6,e26_1,e26_2,e26_3,e26_4,e26_5]]).
15731
15732
15733methyl(d10,[d10_9,d10_17,d10_24,d10_25,d10_26]).
15734methyl(d166,[d166_29,d166_31,d166_32,d166_33,d166_34]).
15735methyl(d178,[d178_11,d178_15,d178_16,d178_17,d178_18]).
15736methyl(d8,[d8_26,d8_27,d8_28,d8_29,d8_30]).
15737methyl(d97,[d97_12,d97_22,d97_23,d97_24,d97_25]).
15738methyl(d158,[d158_26,d158_27,d158_30,d158_31,d158_32]).
15739methyl(d42,[d42_8,d42_10,d42_18,d42_19,d42_20]).
15740methyl(d89,[d89_7,d89_10,d89_18,d89_19,d89_20]).
15741methyl(d120,[d120_7,d120_10,d120_18,d120_19,d120_20]).
15742methyl(d130,[d130_11,d130_12,d130_13,d130_14,d130_15]).
15743methyl(d138,[d138_8,d138_10,d138_18,d138_19,d138_20]).
15744methyl(d147,[d147_8,d147_10,d147_17,d147_18,d147_19]).
15745methyl(d7,[d7_16,d7_21,d7_22,d7_23,d7_24]).
15746methyl(d14,[d14_9,d14_10,d14_18,d14_19,d14_20]).
15747methyl(d36,[d36_12,d36_17,d36_18,d36_19,d36_20]).
15748methyl(d39,[d39_19,d39_20,d39_21,d39_22,d39_23]).
15749methyl(d55,[d55_14,d55_17,d55_18,d55_19,d55_20]).
15750methyl(d78,[d78_5,d78_21,d78_22,d78_23,d78_24]).
15751methyl(d88,[d88_11,d88_12,d88_13,d88_14,d88_15]).
15752methyl(d123,[d123_15,d123_19,d123_20,d123_21,d123_22]).
15753methyl(d123,[d123_5,d123_24,d123_25,d123_26,d123_27]).
15754methyl(d150,[d150_4,d150_12,d150_19,d150_20,d150_21]).
15755methyl(d155,[d155_10,d155_11,d155_12,d155_13,d155_14]).
15756methyl(d168,[d168_11,d168_12,d168_13,d168_14,d168_15]).
15757methyl(d182,[d182_11,d182_16,d182_17,d182_18,d182_19]).
15758methyl(d197,[d197_7,d197_10,d197_18,d197_19,d197_20]).
15759methyl(e3,[e3_10,e3_13,e3_14,e3_15,e3_16]).
15760methyl(e4,[e4_7,e4_10,e4_19,e4_20,e4_21]).
15761methyl(e6,[e6_7,e6_10,e6_19,e6_20,e6_21]).
15762%end(model(s1)).