26:-use_module(library(phil)). 27:- if(current_predicate(use_rendering/1)). 28:- use_rendering(c3). 29:- use_rendering(lpad). 30:- endif. 31
32:-phil. 33
34:- set_hplp(verbosity,1). 35
37:- set_hplp(megaex_bottom,4). 38:- set_hplp(initial_clauses_per_megaex,1). 39:- set_hplp(rate,0.95). 40:- set_hplp(max_layer,3). 41:- set_hplp(min_probability,0.00001). 42
44:- set_hplp(algorithmType,dphil). 46:- set_hplp(maxIter_phil,1000).
47:- set_hplp(epsilon_deep,0.0001). 48:- set_hplp(epsilon_deep_fraction,0.00001). 49
51:- set_hplp(regularized,yes). 52:- set_hplp(regularizationType,2). 53:- set_hplp(gamma,10). 54:- set_hplp(gammaCount,0). 55
57:- set_hplp(adam_params,[0.001,0.9,0.999,1e-8]). 59:- set_hplp(batch_strategy,minibatch(100)).
62
63
64bg([]).
65
66
67:-style_check(-singleton). 68
69:- begin_in. 70
71active:0.357487776332185:-bond(B,C,1), hidden_1(B,C).
72active:0.340898624195916:-benzene(D), hidden_2(D).
73active:0.582734573004553:-benzene(E), hidden_3(E).
74active:0.941825686550751:-benzene(F), hidden_4(F).
75active:0.228004056442919:-carbon_6_ring(G), hidden_5(G).
76active:0.494183046826314:-nitro(H).
77hidden_1(B,C):0.736264184849565:-bond(C,I,7), hidden_1_1(B,C,I).
78hidden_1(B,C):0.168787562371174:-bond(J,B,7), hidden_1_2(C,J,B).
79hidden_1(B,C):0.454410799028266:-bond(C,K,7), hidden_1_3(B,C,K).
80hidden_1(B,C):0.446754478916273:-bond(L,B,7), hidden_1_4(C,L,B).
81hidden_1(B,C):0.424631963375601 :- atm(B,c,194,M).
82hidden_1(B,C):0.652562538902137 :- atm(C,c,194,M), hidden_1_5(B,C,M).
83hidden_2(D):0.7502632997666 :- ring_size_6(D).
84hidden_3(E):0.23603140768291 :- ring_size_6(E).
85hidden_4(F):0.396377413924317 :- ring_size_6(F).
86hidden_5(G):0.184361401388437 :- ring_size_6(G).
87hidden_1_1(B,C,I):0.500542906002477 :- bond(I,N,1), hidden_1_1_1(B,C,I,N).
88hidden_1_2(C,J,B):0.349644341358827 :- bond(J,O,7), hidden_1_2_1(C,B,J,O).
89hidden_1_3(B,C,K):0.494469676195735 :- bond(K,P,7), hidden_1_3_1(B,C,K,P).
90hidden_1_3(B,C,K):0.85520849094512 :- bond(K,Q,1), hidden_1_3_2(B,C,K,Q).
91hidden_1_3(B,C,K):0.548991457402319 :- atm(K,c,22,R), hidden_1_3_3(B,C,K,R).
92hidden_1_4(C,L,B):0.288358421277717 :- bond(L,S,1), hidden_1_4_1(C,B,L,S).
93hidden_1_4(C,L,B):0.338499280201951 :- atm(L,c,22,R).
94hidden_1_5(B,C,M):0.287247194271313 :- atm(I,c,29,M).
95hidden_1_1_1(B,C,I,N):0.96605990761734 :- bond(N,T,7), hidden_1_1_1_1(B,C,I,N,T).
96hidden_1_1_1(B,C,I,N):0.268883642866368 :- bond(N,U,7), hidden_1_1_1_2(B,C,I,N,U).
97hidden_1_2_1(C,B,J,O):0.550948227638125 :- bond(O,V,7), hidden_1_2_1_1(C,B,J,O,V).
98hidden_1_2_1(C,B,J,O):0.080582214186416 :- bond(O,W,1).
99hidden_1_3_1(B,C,K,P):0.382835498937712 :- bond(P,X,7), hidden_1_3_1_1(B,C,K,P,X).
100hidden_1_3_1(B,C,K,P):0.993650592148131 :- bond(P,Y,1).
101hidden_1_3_2(B,C,K,Q):0.26973723073878 :- atm(Q,h,3,Z), hidden_1_3_2_1(B,C,K,Q,Z).
102hidden_1_3_3(B,C,K,R):0.457890035281585 :- atm(P,c,22,R).
103hidden_1_4_1(C,B,L,S):0.305704410269012 :- atm(S,h,3,Z).
104hidden_1_1_1_1(B,C,I,N,T):0.81033625055707 :- bond(T,J,1).
105hidden_1_1_1_2(B,C,I,N,U):0.166583284840457 :- bond(U,A1,7), hidden_1_1_1_2_1(B,C,I,N,U,A1).
106hidden_1_1_1_2(B,C,I,N,U):0.16308490069504 :- bond(U,B1,1), hidden_1_1_1_2_2(B,C,I,N,U,B1).
107hidden_1_1_1_2(B,C,I,N,U):0.12477486268781 :- atm(U,c,22,R), hidden_1_1_1_2_3(B,C,I,N,U,R).
108hidden_1_2_1_1(C,B,J,O,V):0.382971044879496 :- bond(V,C1,7), hidden_1_2_1_1_1(C,B,J,O,V,C1).
109hidden_1_2_1_1(C,B,J,O,V):0.573270498746699 :- bond(V,D1,1).
110hidden_1_3_1_1(B,C,K,P,X):0.38576406030942 :- bond(X,E1,7), hidden_1_3_1_1_1(B,C,K,P,X,E1).
111hidden_1_3_1_1(B,C,K,P,X):0.163798109233059 :- bond(X,F1,1).
112hidden_1_3_2_1(B,C,K,Q,Z):0.646181883923972 :- atm(Y,h,3,Z).
113hidden_1_1_1_2_1(B,C,I,N,U,A1):0.928736601752103 :- bond(A1,G1,7), hidden_1_1_1_2_1_1(B,C,I,N,U,A1,G1).
114hidden_1_1_1_2_1(B,C,I,N,U,A1):0.430455614581996 :- bond(A1,H1,1).
115hidden_1_1_1_2_2(B,C,I,N,U,B1):0.436883752803264 :- atm(B1,h,3,Z), hidden_1_1_1_2_2_1(B,C,I,N,U,B1,Z).
116hidden_1_1_1_2_3(B,C,I,N,U,R):0.500564898398079 :- atm(A1,c,22,R).
117hidden_1_2_1_1_1(C,B,J,O,V,C1):0.781724261054953 :- bond(C1,L,7).
118hidden_1_3_1_1_1(B,C,K,P,X,E1):0.495282954688513 :- bond(E1,I,7).
119hidden_1_1_1_2_1_1(B,C,I,N,U,A1,G1):0.505780545318464 :- bond(G1,I1,7), hidden_1_1_1_2_1_1_1(B,C,I,N,U,A1,G1,I1).
120hidden_1_1_1_2_1_1(B,C,I,N,U,A1,G1):0.598684319132542 :- bond(G1,J1,1), hidden_1_1_1_2_1_1_2(B,C,I,N,U,A1,G1,J1).
121hidden_1_1_1_2_2_1(B,C,I,N,U,B1,Z):0.569279871917298 :- atm(H1,h,3,Z).
122hidden_1_1_1_2_1_1_1(B,C,I,N,U,A1,G1,I1):0.491281948987711 :- bond(I1,T,7).
123hidden_1_1_1_2_1_1_2(B,C,I,N,U,A1,G1,J1):0.762356467970208 :- bond(J1,K1,2), hidden_1_1_1_2_1_1_2_1(B,C,I,N,U,A1,G1,J1,K1).
124hidden_1_1_1_2_1_1_2(B,C,I,N,U,A1,G1,J1):0.029862922211226 :- bond(J1,L1,2), hidden_1_1_1_2_1_1_2_2(B,C,I,N,U,A1,G1,J1,L1).
125hidden_1_1_1_2_1_1_2(B,C,I,N,U,A1,G1,J1):0.195239813730009 :- atm(J1,n,38,M1).
126hidden_1_1_1_2_1_1_2_1(B,C,I,N,U,A1,G1,J1,K1):0.156138181567595 :- atm(K1,o,40,N1).
127hidden_1_1_1_2_1_1_2_2(B,C,I,N,U,A1,G1,J1,L1):0.377647837402305 :- atm(L1,o,40,O1).
128
129:- end_in. 130:-style_check(-singleton). 131
132
133fold(1,[d18,d26,d28,d51,d63,d67,d107,d127,d137,d151,d174,d178,d85,d92,
134 d38,d84,d100,d116,d160]).
135fold(2,[d10,d61,d86,d94,d105,d128,d173,d183,d29,
136 d42,d147,d186,d3,d5,d39,d78,d142,d182,d185]).
137fold(3,[d46,d52,d57,d80,d82,d125,d152,d169,d21,d22,d108,d180,
138 d119,d34,d65,d66,d143,d154,d181]).
139fold(4,[d1,d12,d20,d31,d83,d115,d164,d165,d166,d184,d16,d99,d102,d145,d161,d170,
140 d114,d19,d133]).
141fold(5,[d6,d15,d69,d71,d87,d95,d104,d109,d177,d187,d44,d93,d97,d106,
142 d132,d141,d73,d76,d113]).
143fold(6,[d25,d45,d54,d58,d75,d101,d140,d149,d159,d171,d8,d47,d121,d134,
144 d70,d77,d111,d62,d179]).
145fold(7,[d13,d24,d43,d64,d72,d79,d90,d122,d126,d163,d172,d30,d37,
146 d2,d17,d120,d130,d131,d129]).
147fold(8,[d11,d27,d53,d56,d68,d146,d33,d74,
148 d188,d7,d9,d14,d36,d40,d123,d135,d150,d155,d175]).
149fold(9,[d4,d41,d49,d50,d59,d96,d117,d136,d153,d23,d32,d158,d167,d176,
150 d98,d88,d124,d139,d168]).
151fold(10,[d48,d60,d112,d148,d157,d35,d81,d91,d103,d118,d162,
152 d89,d138,d144,d55,d110,d156]).
153
154output(active/0).
155
156input(ind1/1).
157input(inda/1).
158input(act/1).
159input(lumo/1).
160input(logp/2).
161input(bond/3).
162input(atm/4).
163input(benzene/1).
164input(carbon_5_aromatic_ring/1).
165input(carbon_6_ring/1).
166input(hetero_aromatic_6_ring/1).
167input(hetero_aromatic_5_ring/1).
168input(ring_size_6/1).
169input(ring_size_5/1).
170input(nitro/1).
171input(methyl/1).
172input(anthracene/1).
173input(phenanthrene/1).
174input(ball3/1).
175
176modeh(1,active).
177
178modeb(1,lumo(-energy)).
179modeb(1,logp(-hydrophob)).
180modeb(*,atm(-atomid,-#element,-#int,-charge)).
181modeb(*,bond(-atomid,-atomid,-#int)).
182modeb(1,(+charge) >= (#charge)).
183modeb(1,(+charge) =< (#charge)).
184modeb(1,(+charge)= #charge).
185modeb(1,(+hydrophob) >= (#hydrophob)).
186modeb(1,(+hydrophob) =< (#hydrophob)).
187modeb(1,(+hydrophob)= #hydrophob).
188modeb(1,(+energy) >= (#energy)).
189modeb(1,(+energy) =< (#energy)).
190modeb(1,(+energy)= #energy).
191
192modeb(*,benzene(-ring)).
193modeb(*,carbon_5_aromatic_ring(-ring)).
194modeb(*,carbon_6_ring(-ring)).
195modeb(*,hetero_aromatic_6_ring(-ring)).
196modeb(*,hetero_aromatic_5_ring(-ring)).
197modeb(*,ring_size_6(-ring)).
198modeb(*,ring_size_5(-ring)).
199modeb(*,nitro(-ring)).
200modeb(*,methyl(-ring)).
201modeb(*,anthracene(-ringlist)).
202modeb(*,phenanthrene(-ringlist)).
203modeb(*,ball3(-ringlist)).
204
205modeb(*,member(-ring,+ringlist)).
206modeb(1,member(+ring,+ringlist)).
207
208
209lookahead(logp(B),[(B=_C)]).
210lookahead(logp(B),[>=(B,_C)]).
211lookahead(logp(B),[=<(B,_C)]).
212lookahead(lumo(B),[(B=_C)]).
213lookahead(lumo(B),[>=(B,_C)]).
214lookahead(lumo(B),[=<(B,_C)]).
218
219determination(active/0,lumo/1).
220determination(active/0,logp/2).
221determination(active/0,bond/3).
222determination(active/0,atm/4).
223determination(active/0,benzene/1).
224determination(active/0,carbon_5_aromatic_ring/1).
225determination(active/0,carbon_6_ring/1).
226determination(active/0,hetero_aromatic_6_ring/1).
227determination(active/0,hetero_aromatic_5_ring/1).
228determination(active/0,ring_size_6/1).
229determination(active/0,ring_size_5/1).
230determination(active/0,nitro/1).
231determination(active/0,methyl/1).
232determination(active/0,anthracene/1).
233determination(active/0,phenanthrene/1).
234determination(active/0,ball3/1).
235
236
237
240active(d18).
241active(d26).
242active(d28).
243active(d51).
244active(d63).
245active(d67).
246active(d107).
247active(d127).
248active(d137).
249active(d151).
250active(d174).
251active(d178).
252active(d85).
253active(d92).
254
255neg(active(d38)).
256neg(active(d84)).
257neg(active(d100)).
258neg(active(d116)).
259neg(active(d160)).
260
262active(d10).
263active(d61).
264active(d86).
265active(d94).
266active(d105).
267active(d128).
268active(d173).
269active(d183).
270active(d29).
271
272neg(active(d42)).
273neg(active(d147)).
274neg(active(d186)).
275neg(active(d3)).
276neg(active(d5)).
277neg(active(d39)).
278neg(active(d78)).
279neg(active(d142)).
280neg(active(d182)).
281neg(active(d185)).
282
284
285active(d46).
286active(d52).
287active(d57).
288active(d80).
289active(d82).
290active(d125).
291active(d152).
292active(d169).
293active(d21).
294active(d22).
295active(d108).
296active(d180).
297
298neg(active(d119)).
299neg(active(d34)).
300neg(active(d65)).
301neg(active(d66)).
302neg(active(d143)).
303neg(active(d154)).
304neg(active(d181)).
305
307active(d1).
308active(d12).
309active(d20).
310active(d31).
311active(d83).
312active(d115).
313active(d164).
314active(d165).
315active(d166).
316active(d184).
317active(d16).
318active(d99).
319active(d102).
320active(d145).
321active(d161).
322active(d170).
323
324neg(active(d114)).
325neg(active(d19)).
326neg(active(d133)).
327
329active(d6).
330active(d15).
331active(d69).
332active(d71).
333active(d87).
334active(d95).
335active(d104).
336active(d109).
337active(d177).
338active(d187).
339active(d44).
340active(d93).
341active(d97).
342active(d106).
343
344neg(active(d132)).
345neg(active(d141)).
346neg(active(d73)).
347neg(active(d76)).
348neg(active(d113)).
349
351active(d25).
352active(d45).
353active(d54).
354active(d58).
355active(d75).
356active(d101).
357active(d140).
358active(d149).
359active(d159).
360active(d171).
361active(d8).
362active(d47).
363active(d121).
364active(d134).
365
366neg(active(d70)).
367neg(active(d77)).
368neg(active(d111)).
369neg(active(d62)).
370neg(active(d179)).
371
373active(d13).
374active(d24).
375active(d43).
376active(d64).
377active(d72).
378active(d79).
379active(d90).
380active(d122).
381active(d126).
382active(d163).
383active(d172).
384active(d30).
385active(d37).
386
387neg(active(d2)).
388neg(active(d17)).
389neg(active(d120)).
390neg(active(d130)).
391neg(active(d131)).
392neg(active(d129)).
393
395active(d11).
396active(d27).
397active(d53).
398active(d56).
399active(d68).
400active(d146).
401active(d33).
402active(d74).
403
404neg(active(d188)).
405neg(active(d7)).
406neg(active(d9)).
407neg(active(d14)).
408neg(active(d36)).
409neg(active(d40)).
410neg(active(d123)).
411neg(active(d135)).
412neg(active(d150)).
413neg(active(d155)).
414neg(active(d175)).
415
417active(d4).
418active(d41).
419active(d49).
420active(d50).
421active(d59).
422active(d96).
423active(d117).
424active(d136).
425active(d153).
426active(d23).
427active(d32).
428active(d158).
429active(d167).
430active(d176).
431
432neg(active(d98)).
433neg(active(d88)).
434neg(active(d124)).
435neg(active(d139)).
436neg(active(d168)).
437
439active(d48).
440active(d60).
441active(d112).
442active(d148).
443active(d157).
444active(d35).
445active(d81).
446active(d91).
447active(d103).
448active(d118).
449active(d162).
450
451neg(active(d89)).
452neg(active(d138)).
453neg(active(d144)).
454neg(active(d55)).
455neg(active(d110)).
456neg(active(d156)).
457
458
459atm(d1,d1_1,c,22,-0.117).
460atm(d1,d1_2,c,22,-0.117).
461atm(d1,d1_3,c,22,-0.117).
462atm(d1,d1_4,c,195,-0.087).
463atm(d1,d1_5,c,195,0.013).
464atm(d1,d1_6,c,22,-0.117).
465atm(d1,d1_7,h,3,0.142).
466atm(d1,d1_8,h,3,0.143).
467atm(d1,d1_9,h,3,0.142).
468atm(d1,d1_10,h,3,0.142).
469atm(d1,d1_11,c,27,-0.087).
470atm(d1,d1_12,c,27,0.013).
471atm(d1,d1_13,c,22,-0.117).
472atm(d1,d1_14,c,22,-0.117).
473atm(d1,d1_15,h,3,0.143).
474atm(d1,d1_16,h,3,0.143).
475atm(d1,d1_17,c,22,-0.117).
476atm(d1,d1_18,c,22,-0.117).
477atm(d1,d1_19,c,22,-0.117).
478atm(d1,d1_20,c,22,-0.117).
479atm(d1,d1_21,h,3,0.142).
480atm(d1,d1_22,h,3,0.143).
481atm(d1,d1_23,h,3,0.142).
482atm(d1,d1_24,n,38,0.812).
483atm(d1,d1_25,o,40,-0.388).
484atm(d1,d1_26,o,40,-0.388).
485
486bond(d1,d1_1,d1_2,7).
487bond(d1,d1_2,d1_3,7).
488bond(d1,d1_3,d1_4,7).
489bond(d1,d1_4,d1_5,7).
490bond(d1,d1_5,d1_6,7).
491bond(d1,d1_6,d1_1,7).
492bond(d1,d1_1,d1_7,1).
493bond(d1,d1_2,d1_8,1).
494bond(d1,d1_3,d1_9,1).
495bond(d1,d1_6,d1_10,1).
496bond(d1,d1_4,d1_11,7).
497bond(d1,d1_11,d1_12,7).
498bond(d1,d1_12,d1_13,7).
499bond(d1,d1_13,d1_14,7).
500bond(d1,d1_14,d1_5,7).
501bond(d1,d1_13,d1_15,1).
502bond(d1,d1_14,d1_16,1).
503bond(d1,d1_11,d1_17,7).
504bond(d1,d1_17,d1_18,7).
505bond(d1,d1_18,d1_19,7).
506bond(d1,d1_19,d1_20,7).
507bond(d1,d1_20,d1_12,7).
508bond(d1,d1_17,d1_21,1).
509bond(d1,d1_18,d1_22,1).
510bond(d1,d1_20,d1_23,1).
511bond(d1,d1_24,d1_19,1).
512bond(d1,d1_24,d1_25,2).
513bond(d1,d1_24,d1_26,2).
514atm(d10,d10_1,c,22,-0.119).
515atm(d10,d10_2,c,22,-0.119).
516atm(d10,d10_3,c,22,-0.119).
517atm(d10,d10_4,c,29,0.011).
518atm(d10,d10_5,c,22,-0.119).
519atm(d10,d10_6,c,22,-0.118).
520atm(d10,d10_7,c,22,-0.119).
521atm(d10,d10_8,c,22,-0.119).
522atm(d10,d10_9,c,22,-0.168).
523atm(d10,d10_10,c,22,-0.119).
524atm(d10,d10_11,c,22,-0.118).
525atm(d10,d10_12,c,29,0.011).
526atm(d10,d10_13,c,10,0.011).
527atm(d10,d10_14,n,38,0.812).
528atm(d10,d10_15,o,40,-0.388).
529atm(d10,d10_16,o,40,-0.388).
530atm(d10,d10_17,c,10,0.011).
531atm(d10,d10_18,h,3,0.142).
532atm(d10,d10_19,h,3,0.142).
533atm(d10,d10_20,h,3,0.142).
534atm(d10,d10_21,h,3,0.142).
535atm(d10,d10_22,h,3,0.142).
536atm(d10,d10_23,h,3,0.142).
537atm(d10,d10_24,h,3,0.061).
538atm(d10,d10_25,h,3,0.061).
539atm(d10,d10_26,h,3,0.061).
540atm(d10,d10_27,h,3,0.061).
541atm(d10,d10_28,h,3,0.061).
542
543bond(d10,d10_1,d10_2,7).
544bond(d10,d10_2,d10_3,7).
545bond(d10,d10_3,d10_4,7).
546bond(d10,d10_4,d10_5,7).
547bond(d10,d10_5,d10_6,7).
548bond(d10,d10_6,d10_1,7).
549bond(d10,d10_7,d10_8,7).
550bond(d10,d10_8,d10_9,7).
551bond(d10,d10_9,d10_10,7).
552bond(d10,d10_10,d10_11,7).
553bond(d10,d10_11,d10_12,7).
554bond(d10,d10_12,d10_7,7).
555bond(d10,d10_4,d10_12,1).
556bond(d10,d10_3,d10_13,1).
557bond(d10,d10_13,d10_7,1).
558bond(d10,d10_1,d10_14,1).
559bond(d10,d10_14,d10_15,2).
560bond(d10,d10_14,d10_16,2).
561bond(d10,d10_9,d10_17,1).
562bond(d10,d10_2,d10_18,1).
563bond(d10,d10_5,d10_19,1).
564bond(d10,d10_6,d10_20,1).
565bond(d10,d10_8,d10_21,1).
566bond(d10,d10_10,d10_22,1).
567bond(d10,d10_11,d10_23,1).
568bond(d10,d10_17,d10_24,1).
569bond(d10,d10_17,d10_25,1).
570bond(d10,d10_17,d10_26,1).
571bond(d10,d10_13,d10_27,1).
572bond(d10,d10_13,d10_28,1).
573atm(d100,d100_1,c,22,-0.128).
574atm(d100,d100_2,c,22,-0.128).
575atm(d100,d100_3,c,22,-0.128).
576atm(d100,d100_4,c,29,0.002).
577atm(d100,d100_5,c,22,-0.128).
578atm(d100,d100_6,c,22,-0.128).
579atm(d100,d100_7,h,3,0.132).
580atm(d100,d100_8,h,3,0.132).
581atm(d100,d100_9,h,3,0.132).
582atm(d100,d100_10,h,3,0.132).
583atm(d100,d100_11,c,29,0.002).
584atm(d100,d100_12,c,22,-0.128).
585atm(d100,d100_13,c,22,-0.128).
586atm(d100,d100_14,c,22,-0.128).
587atm(d100,d100_15,c,22,0.202).
588atm(d100,d100_16,c,22,-0.128).
589atm(d100,d100_17,h,3,0.132).
590atm(d100,d100_18,h,3,0.132).
591atm(d100,d100_19,h,3,0.132).
592atm(d100,d100_20,h,3,0.132).
593atm(d100,d100_21,n,32,-0.779).
594atm(d100,d100_22,n,38,0.801).
595atm(d100,d100_23,o,40,-0.398).
596atm(d100,d100_24,o,40,-0.398).
597atm(d100,d100_25,h,1,0.332).
598atm(d100,d100_26,h,1,0.332).
599
600bond(d100,d100_1,d100_2,7).
601bond(d100,d100_2,d100_3,7).
602bond(d100,d100_3,d100_4,7).
603bond(d100,d100_4,d100_5,7).
604bond(d100,d100_5,d100_6,7).
605bond(d100,d100_6,d100_1,7).
606bond(d100,d100_1,d100_7,1).
607bond(d100,d100_2,d100_8,1).
608bond(d100,d100_3,d100_9,1).
609bond(d100,d100_5,d100_10,1).
610bond(d100,d100_11,d100_12,7).
611bond(d100,d100_12,d100_13,7).
612bond(d100,d100_13,d100_14,7).
613bond(d100,d100_14,d100_15,7).
614bond(d100,d100_15,d100_16,7).
615bond(d100,d100_16,d100_11,7).
616bond(d100,d100_12,d100_17,1).
617bond(d100,d100_13,d100_18,1).
618bond(d100,d100_14,d100_19,1).
619bond(d100,d100_16,d100_20,1).
620bond(d100,d100_4,d100_11,1).
621bond(d100,d100_15,d100_21,1).
622bond(d100,d100_6,d100_22,1).
623bond(d100,d100_22,d100_23,2).
624bond(d100,d100_22,d100_24,2).
625bond(d100,d100_21,d100_25,1).
626bond(d100,d100_21,d100_26,1).
627atm(d101,d101_1,c,22,-0.121).
628atm(d101,d101_2,c,22,-0.121).
629atm(d101,d101_3,c,27,0.009).
630atm(d101,d101_4,c,27,-0.091).
631atm(d101,d101_5,c,27,0.009).
632atm(d101,d101_6,c,22,-0.122).
633atm(d101,d101_7,c,22,-0.121).
634atm(d101,d101_8,c,22,-0.121).
635atm(d101,d101_9,c,27,0.009).
636atm(d101,d101_10,c,27,-0.091).
637atm(d101,d101_11,c,27,0.009).
638atm(d101,d101_12,c,22,0.009).
639atm(d101,d101_13,c,22,0.009).
640atm(d101,d101_14,c,22,-0.121).
641atm(d101,d101_15,c,22,-0.121).
642atm(d101,d101_16,c,22,-0.122).
643atm(d101,d101_17,c,10,-0.091).
644atm(d101,d101_18,c,10,-0.091).
645atm(d101,d101_19,c,10,-0.091).
646atm(d101,d101_20,c,10,-0.091).
647atm(d101,d101_21,n,38,0.808).
648atm(d101,d101_22,o,40,-0.392).
649atm(d101,d101_23,o,40,-0.392).
650atm(d101,d101_24,h,3,0.138).
651atm(d101,d101_25,h,3,0.138).
652atm(d101,d101_26,h,3,0.138).
653atm(d101,d101_27,h,3,0.138).
654atm(d101,d101_28,h,3,0.138).
655atm(d101,d101_29,h,3,0.138).
656atm(d101,d101_30,h,3,0.138).
657atm(d101,d101_31,h,3,0.059).
658atm(d101,d101_32,h,3,0.059).
659atm(d101,d101_33,h,3,0.059).
660atm(d101,d101_34,h,3,0.059).
661atm(d101,d101_35,h,3,0.059).
662atm(d101,d101_36,h,3,0.059).
663atm(d101,d101_37,h,3,0.059).
664atm(d101,d101_38,h,3,0.059).
665
666bond(d101,d101_1,d101_2,7).
667bond(d101,d101_2,d101_3,7).
668bond(d101,d101_3,d101_4,7).
669bond(d101,d101_4,d101_5,7).
670bond(d101,d101_5,d101_6,7).
671bond(d101,d101_6,d101_1,7).
672bond(d101,d101_3,d101_7,7).
673bond(d101,d101_7,d101_8,7).
674bond(d101,d101_8,d101_9,7).
675bond(d101,d101_9,d101_10,7).
676bond(d101,d101_10,d101_4,7).
677bond(d101,d101_10,d101_11,7).
678bond(d101,d101_11,d101_12,7).
679bond(d101,d101_12,d101_13,7).
680bond(d101,d101_13,d101_5,7).
681bond(d101,d101_9,d101_14,7).
682bond(d101,d101_14,d101_15,7).
683bond(d101,d101_15,d101_16,7).
684bond(d101,d101_16,d101_11,7).
685bond(d101,d101_12,d101_17,1).
686bond(d101,d101_17,d101_18,1).
687bond(d101,d101_18,d101_19,1).
688bond(d101,d101_19,d101_20,1).
689bond(d101,d101_20,d101_13,1).
690bond(d101,d101_14,d101_21,1).
691bond(d101,d101_21,d101_22,2).
692bond(d101,d101_21,d101_23,2).
693bond(d101,d101_1,d101_24,1).
694bond(d101,d101_2,d101_25,1).
695bond(d101,d101_6,d101_26,1).
696bond(d101,d101_7,d101_27,1).
697bond(d101,d101_8,d101_28,1).
698bond(d101,d101_15,d101_29,1).
699bond(d101,d101_16,d101_30,1).
700bond(d101,d101_20,d101_31,1).
701bond(d101,d101_20,d101_32,1).
702bond(d101,d101_19,d101_33,1).
703bond(d101,d101_19,d101_34,1).
704bond(d101,d101_17,d101_35,1).
705bond(d101,d101_17,d101_36,1).
706bond(d101,d101_18,d101_37,1).
707bond(d101,d101_18,d101_38,1).
708atm(d102,d102_1,c,22,-0.119).
709atm(d102,d102_2,c,22,-0.119).
710atm(d102,d102_3,c,22,0.111).
711atm(d102,d102_4,c,29,0.011).
712atm(d102,d102_5,c,22,-0.119).
713atm(d102,d102_6,c,22,-0.119).
714atm(d102,d102_7,h,3,0.141).
715atm(d102,d102_8,h,3,0.141).
716atm(d102,d102_9,c,22,0.111).
717atm(d102,d102_10,c,22,-0.119).
718atm(d102,d102_11,c,22,-0.119).
719atm(d102,d102_12,c,22,-0.119).
720atm(d102,d102_13,c,22,-0.119).
721atm(d102,d102_14,c,29,0.011).
722atm(d102,d102_15,h,3,0.141).
723atm(d102,d102_16,h,3,0.141).
724atm(d102,d102_17,c,14,0.56).
725atm(d102,d102_18,o,40,-0.54).
726atm(d102,d102_19,n,38,0.81).
727atm(d102,d102_20,n,38,0.81).
728atm(d102,d102_21,n,38,0.81).
729atm(d102,d102_22,n,38,0.81).
730atm(d102,d102_23,o,40,-0.39).
731atm(d102,d102_24,o,40,-0.389).
732atm(d102,d102_25,o,40,-0.389).
733atm(d102,d102_26,o,40,-0.389).
734atm(d102,d102_27,o,40,-0.389).
735atm(d102,d102_28,o,40,-0.39).
736atm(d102,d102_29,o,40,-0.39).
737atm(d102,d102_30,o,40,-0.39).
738
739bond(d102,d102_1,d102_2,7).
740bond(d102,d102_2,d102_3,7).
741bond(d102,d102_3,d102_4,7).
742bond(d102,d102_4,d102_5,7).
743bond(d102,d102_5,d102_6,7).
744bond(d102,d102_6,d102_1,7).
745bond(d102,d102_2,d102_7,1).
746bond(d102,d102_6,d102_8,1).
747bond(d102,d102_9,d102_10,7).
748bond(d102,d102_10,d102_11,7).
749bond(d102,d102_11,d102_12,7).
750bond(d102,d102_12,d102_13,7).
751bond(d102,d102_13,d102_14,7).
752bond(d102,d102_14,d102_9,7).
753bond(d102,d102_10,d102_15,1).
754bond(d102,d102_12,d102_16,1).
755bond(d102,d102_4,d102_14,1).
756bond(d102,d102_3,d102_17,1).
757bond(d102,d102_17,d102_9,1).
758bond(d102,d102_17,d102_18,2).
759bond(d102,d102_11,d102_19,1).
760bond(d102,d102_13,d102_20,1).
761bond(d102,d102_5,d102_21,1).
762bond(d102,d102_1,d102_22,1).
763bond(d102,d102_22,d102_23,2).
764bond(d102,d102_22,d102_24,2).
765bond(d102,d102_21,d102_25,2).
766bond(d102,d102_21,d102_26,2).
767bond(d102,d102_20,d102_27,2).
768bond(d102,d102_20,d102_28,2).
769bond(d102,d102_19,d102_29,2).
770bond(d102,d102_19,d102_30,2).
771atm(d103,d103_1,c,22,-0.118).
772atm(d103,d103_2,c,22,-0.118).
773atm(d103,d103_3,c,27,0.012).
774atm(d103,d103_4,c,27,-0.088).
775atm(d103,d103_5,c,27,0.012).
776atm(d103,d103_6,c,22,-0.118).
777atm(d103,d103_7,h,3,0.141).
778atm(d103,d103_8,h,3,0.142).
779atm(d103,d103_9,h,3,0.142).
780atm(d103,d103_10,c,22,-0.118).
781atm(d103,d103_11,c,22,-0.118).
782atm(d103,d103_12,c,27,0.012).
783atm(d103,d103_13,c,27,-0.088).
784atm(d103,d103_14,h,3,0.141).
785atm(d103,d103_15,h,3,0.142).
786atm(d103,d103_16,c,27,0.012).
787atm(d103,d103_17,c,22,-0.118).
788atm(d103,d103_18,c,22,-0.118).
789atm(d103,d103_19,h,3,0.141).
790atm(d103,d103_20,h,3,0.142).
791atm(d103,d103_21,c,22,-0.118).
792atm(d103,d103_22,c,22,-0.118).
793atm(d103,d103_23,c,22,-0.118).
794atm(d103,d103_24,h,3,0.142).
795atm(d103,d103_25,h,3,0.142).
796atm(d103,d103_26,n,38,0.811).
797atm(d103,d103_27,o,40,-0.389).
798atm(d103,d103_28,o,40,-0.389).
799
800bond(d103,d103_1,d103_2,7).
801bond(d103,d103_2,d103_3,7).
802bond(d103,d103_3,d103_4,7).
803bond(d103,d103_4,d103_5,7).
804bond(d103,d103_5,d103_6,7).
805bond(d103,d103_6,d103_1,7).
806bond(d103,d103_1,d103_7,1).
807bond(d103,d103_2,d103_8,1).
808bond(d103,d103_6,d103_9,1).
809bond(d103,d103_3,d103_10,7).
810bond(d103,d103_10,d103_11,7).
811bond(d103,d103_11,d103_12,7).
812bond(d103,d103_12,d103_13,7).
813bond(d103,d103_13,d103_4,7).
814bond(d103,d103_10,d103_14,1).
815bond(d103,d103_11,d103_15,1).
816bond(d103,d103_13,d103_16,7).
817bond(d103,d103_16,d103_17,7).
818bond(d103,d103_17,d103_18,7).
819bond(d103,d103_18,d103_5,7).
820bond(d103,d103_17,d103_19,1).
821bond(d103,d103_18,d103_20,1).
822bond(d103,d103_12,d103_21,7).
823bond(d103,d103_21,d103_22,7).
824bond(d103,d103_22,d103_23,7).
825bond(d103,d103_23,d103_16,7).
826bond(d103,d103_21,d103_24,1).
827bond(d103,d103_23,d103_25,1).
828bond(d103,d103_22,d103_26,1).
829bond(d103,d103_26,d103_27,2).
830bond(d103,d103_26,d103_28,2).
831atm(d104,d104_1,c,22,-0.121).
832atm(d104,d104_2,c,22,-0.121).
833atm(d104,d104_3,c,27,0.009).
834atm(d104,d104_4,c,27,-0.091).
835atm(d104,d104_5,c,27,0.009).
836atm(d104,d104_6,c,22,-0.122).
837atm(d104,d104_7,c,22,-0.121).
838atm(d104,d104_8,c,22,-0.121).
839atm(d104,d104_9,c,27,0.009).
840atm(d104,d104_10,c,27,-0.091).
841atm(d104,d104_11,c,27,0.009).
842atm(d104,d104_12,c,22,0.009).
843atm(d104,d104_13,c,22,0.009).
844atm(d104,d104_14,c,22,-0.121).
845atm(d104,d104_15,c,22,-0.121).
846atm(d104,d104_16,c,22,-0.122).
847atm(d104,d104_17,c,10,-0.091).
848atm(d104,d104_18,c,10,-0.091).
849atm(d104,d104_19,c,10,-0.091).
850atm(d104,d104_20,c,10,-0.091).
851atm(d104,d104_21,n,38,0.808).
852atm(d104,d104_22,o,40,-0.392).
853atm(d104,d104_23,o,40,-0.392).
854atm(d104,d104_24,h,3,0.138).
855atm(d104,d104_25,h,3,0.138).
856atm(d104,d104_26,h,3,0.138).
857atm(d104,d104_27,h,3,0.138).
858atm(d104,d104_28,h,3,0.138).
859atm(d104,d104_29,h,3,0.138).
860atm(d104,d104_30,h,3,0.138).
861atm(d104,d104_31,h,3,0.059).
862atm(d104,d104_32,h,3,0.059).
863atm(d104,d104_33,h,3,0.059).
864atm(d104,d104_34,h,3,0.059).
865atm(d104,d104_35,h,3,0.059).
866atm(d104,d104_36,h,3,0.059).
867atm(d104,d104_37,h,3,0.059).
868atm(d104,d104_38,h,3,0.059).
869
870bond(d104,d104_1,d104_2,7).
871bond(d104,d104_2,d104_3,7).
872bond(d104,d104_3,d104_4,7).
873bond(d104,d104_4,d104_5,7).
874bond(d104,d104_5,d104_6,7).
875bond(d104,d104_6,d104_1,7).
876bond(d104,d104_3,d104_7,7).
877bond(d104,d104_7,d104_8,7).
878bond(d104,d104_8,d104_9,7).
879bond(d104,d104_9,d104_10,7).
880bond(d104,d104_10,d104_4,7).
881bond(d104,d104_10,d104_11,7).
882bond(d104,d104_11,d104_12,7).
883bond(d104,d104_12,d104_13,7).
884bond(d104,d104_13,d104_5,7).
885bond(d104,d104_9,d104_14,7).
886bond(d104,d104_14,d104_15,7).
887bond(d104,d104_15,d104_16,7).
888bond(d104,d104_16,d104_11,7).
889bond(d104,d104_12,d104_17,1).
890bond(d104,d104_17,d104_18,1).
891bond(d104,d104_18,d104_19,1).
892bond(d104,d104_19,d104_20,1).
893bond(d104,d104_20,d104_13,1).
894bond(d104,d104_16,d104_21,1).
895bond(d104,d104_21,d104_22,2).
896bond(d104,d104_21,d104_23,2).
897bond(d104,d104_1,d104_24,1).
898bond(d104,d104_2,d104_25,1).
899bond(d104,d104_6,d104_26,1).
900bond(d104,d104_7,d104_27,1).
901bond(d104,d104_8,d104_28,1).
902bond(d104,d104_14,d104_29,1).
903bond(d104,d104_15,d104_30,1).
904bond(d104,d104_20,d104_31,1).
905bond(d104,d104_20,d104_32,1).
906bond(d104,d104_19,d104_33,1).
907bond(d104,d104_19,d104_34,1).
908bond(d104,d104_17,d104_35,1).
909bond(d104,d104_17,d104_36,1).
910bond(d104,d104_18,d104_37,1).
911bond(d104,d104_18,d104_38,1).
912atm(d105,d105_1,c,22,-0.084).
913atm(d105,d105_2,c,22,-0.084).
914atm(d105,d105_3,c,22,-0.084).
915atm(d105,d105_4,c,27,-0.054).
916atm(d105,d105_5,c,27,0.046).
917atm(d105,d105_6,c,22,-0.084).
918atm(d105,d105_7,h,3,0.176).
919atm(d105,d105_8,h,3,0.176).
920atm(d105,d105_9,h,3,0.176).
921atm(d105,d105_10,c,27,-0.054).
922atm(d105,d105_11,c,27,0.435).
923atm(d105,d105_12,n,35,-0.725).
924atm(d105,d105_13,c,22,-0.084).
925atm(d105,d105_14,h,3,0.176).
926atm(d105,d105_15,c,22,-0.084).
927atm(d105,d105_16,c,22,-0.084).
928atm(d105,d105_17,c,22,0.296).
929atm(d105,d105_18,n,35,-0.725).
930atm(d105,d105_19,h,3,0.176).
931atm(d105,d105_20,h,3,0.176).
932atm(d105,d105_21,h,3,0.176).
933atm(d105,d105_22,n,38,0.845).
934atm(d105,d105_23,o,40,-0.354).
935atm(d105,d105_24,o,40,-0.354).
936
937bond(d105,d105_1,d105_2,7).
938bond(d105,d105_2,d105_3,7).
939bond(d105,d105_3,d105_4,7).
940bond(d105,d105_4,d105_5,7).
941bond(d105,d105_5,d105_6,7).
942bond(d105,d105_6,d105_1,7).
943bond(d105,d105_1,d105_7,1).
944bond(d105,d105_2,d105_8,1).
945bond(d105,d105_6,d105_9,1).
946bond(d105,d105_4,d105_10,7).
947bond(d105,d105_10,d105_11,7).
948bond(d105,d105_11,d105_12,7).
949bond(d105,d105_12,d105_13,7).
950bond(d105,d105_13,d105_5,7).
951bond(d105,d105_13,d105_14,1).
952bond(d105,d105_10,d105_15,7).
953bond(d105,d105_15,d105_16,7).
954bond(d105,d105_16,d105_17,7).
955bond(d105,d105_17,d105_18,7).
956bond(d105,d105_18,d105_11,7).
957bond(d105,d105_15,d105_19,1).
958bond(d105,d105_16,d105_20,1).
959bond(d105,d105_17,d105_21,1).
960bond(d105,d105_3,d105_22,1).
961bond(d105,d105_22,d105_23,2).
962bond(d105,d105_22,d105_24,2).
963atm(d106,d106_1,c,22,-0.119).
964atm(d106,d106_2,c,22,-0.119).
965atm(d106,d106_3,c,27,0.011).
966atm(d106,d106_4,c,27,-0.089).
967atm(d106,d106_5,c,27,0.011).
968atm(d106,d106_6,c,22,-0.119).
969atm(d106,d106_7,h,3,0.141).
970atm(d106,d106_8,h,3,0.142).
971atm(d106,d106_9,h,3,0.142).
972atm(d106,d106_10,c,22,-0.119).
973atm(d106,d106_11,c,22,-0.119).
974atm(d106,d106_12,c,27,0.011).
975atm(d106,d106_13,c,27,-0.089).
976atm(d106,d106_14,h,3,0.141).
977atm(d106,d106_15,h,3,0.142).
978atm(d106,d106_16,c,27,0.011).
979atm(d106,d106_17,c,22,0.262).
980atm(d106,d106_18,c,22,-0.119).
981atm(d106,d106_19,h,3,0.141).
982atm(d106,d106_20,c,22,-0.119).
983atm(d106,d106_21,c,22,-0.119).
984atm(d106,d106_22,c,22,-0.119).
985atm(d106,d106_23,h,3,0.142).
986atm(d106,d106_24,h,3,0.142).
987atm(d106,d106_25,n,38,0.812).
988atm(d106,d106_26,o,45,-0.638).
989atm(d106,d106_27,o,40,-0.388).
990atm(d106,d106_28,o,40,-0.388).
991atm(d106,d106_29,h,8,0.412).
992
993bond(d106,d106_1,d106_2,7).
994bond(d106,d106_2,d106_3,7).
995bond(d106,d106_3,d106_4,7).
996bond(d106,d106_4,d106_5,7).
997bond(d106,d106_5,d106_6,7).
998bond(d106,d106_6,d106_1,7).
999bond(d106,d106_1,d106_7,1).
1000bond(d106,d106_2,d106_8,1).
1001bond(d106,d106_6,d106_9,1).
1002bond(d106,d106_3,d106_10,7).
1003bond(d106,d106_10,d106_11,7).
1004bond(d106,d106_11,d106_12,7).
1005bond(d106,d106_12,d106_13,7).
1006bond(d106,d106_13,d106_4,7).
1007bond(d106,d106_10,d106_14,1).
1008bond(d106,d106_11,d106_15,1).
1009bond(d106,d106_13,d106_16,7).
1010bond(d106,d106_16,d106_17,7).
1011bond(d106,d106_17,d106_18,7).
1012bond(d106,d106_18,d106_5,7).
1013bond(d106,d106_18,d106_19,1).
1014bond(d106,d106_12,d106_20,7).
1015bond(d106,d106_20,d106_21,7).
1016bond(d106,d106_21,d106_22,7).
1017bond(d106,d106_22,d106_16,7).
1018bond(d106,d106_20,d106_23,1).
1019bond(d106,d106_21,d106_24,1).
1020bond(d106,d106_22,d106_25,1).
1021bond(d106,d106_17,d106_26,1).
1022bond(d106,d106_25,d106_27,2).
1023bond(d106,d106_25,d106_28,2).
1024bond(d106,d106_26,d106_29,1).
1025atm(d107,d107_1,c,22,-0.115).
1026atm(d107,d107_2,c,22,-0.115).
1027atm(d107,d107_3,c,27,0.015).
1028atm(d107,d107_4,c,27,-0.085).
1029atm(d107,d107_5,c,28,0.015).
1030atm(d107,d107_6,c,22,-0.115).
1031atm(d107,d107_7,h,3,0.145).
1032atm(d107,d107_8,h,3,0.145).
1033atm(d107,d107_9,c,22,-0.115).
1034atm(d107,d107_10,c,22,-0.115).
1035atm(d107,d107_11,c,22,-0.115).
1036atm(d107,d107_12,c,29,0.015).
1037atm(d107,d107_13,h,3,0.145).
1038atm(d107,d107_14,c,28,0.015).
1039atm(d107,d107_15,c,28,0.015).
1040atm(d107,d107_16,c,22,-0.115).
1041atm(d107,d107_17,c,22,-0.115).
1042atm(d107,d107_18,c,22,-0.115).
1043atm(d107,d107_19,c,22,-0.115).
1044atm(d107,d107_20,h,3,0.146).
1045atm(d107,d107_21,h,3,0.145).
1046atm(d107,d107_22,h,3,0.145).
1047atm(d107,d107_23,h,3,0.145).
1048atm(d107,d107_24,n,38,0.816).
1049atm(d107,d107_25,n,38,0.816).
1050atm(d107,d107_26,n,38,0.816).
1051atm(d107,d107_27,o,40,-0.384).
1052atm(d107,d107_28,o,40,-0.384).
1053atm(d107,d107_29,o,40,-0.384).
1054atm(d107,d107_30,o,40,-0.384).
1055atm(d107,d107_31,o,40,-0.384).
1056atm(d107,d107_32,o,40,-0.384).
1057
1058bond(d107,d107_1,d107_2,7).
1059bond(d107,d107_2,d107_3,7).
1060bond(d107,d107_3,d107_4,7).
1061bond(d107,d107_4,d107_5,7).
1062bond(d107,d107_5,d107_6,7).
1063bond(d107,d107_6,d107_1,7).
1064bond(d107,d107_2,d107_7,1).
1065bond(d107,d107_6,d107_8,1).
1066bond(d107,d107_3,d107_9,7).
1067bond(d107,d107_9,d107_10,7).
1068bond(d107,d107_10,d107_11,7).
1069bond(d107,d107_11,d107_12,7).
1070bond(d107,d107_12,d107_4,7).
1071bond(d107,d107_11,d107_13,1).
1072bond(d107,d107_14,d107_15,7).
1073bond(d107,d107_15,d107_16,7).
1074bond(d107,d107_16,d107_17,7).
1075bond(d107,d107_17,d107_18,7).
1076bond(d107,d107_18,d107_19,7).
1077bond(d107,d107_19,d107_14,7).
1078bond(d107,d107_16,d107_20,1).
1079bond(d107,d107_17,d107_21,1).
1080bond(d107,d107_18,d107_22,1).
1081bond(d107,d107_19,d107_23,1).
1082bond(d107,d107_14,d107_5,1).
1083bond(d107,d107_15,d107_12,1).
1084bond(d107,d107_10,d107_24,1).
1085bond(d107,d107_9,d107_25,1).
1086bond(d107,d107_1,d107_26,1).
1087bond(d107,d107_26,d107_27,2).
1088bond(d107,d107_26,d107_28,2).
1089bond(d107,d107_25,d107_29,2).
1090bond(d107,d107_25,d107_30,2).
1091bond(d107,d107_24,d107_31,2).
1092bond(d107,d107_24,d107_32,2).
1093atm(d108,d108_1,c,22,-0.122).
1094atm(d108,d108_2,c,22,-0.122).
1095atm(d108,d108_3,c,27,0.008).
1096atm(d108,d108_4,c,27,-0.092).
1097atm(d108,d108_5,c,28,0.008).
1098atm(d108,d108_6,c,22,-0.122).
1099atm(d108,d108_7,h,3,0.139).
1100atm(d108,d108_8,h,3,0.139).
1101atm(d108,d108_9,c,22,-0.122).
1102atm(d108,d108_10,c,22,-0.122).
1103atm(d108,d108_11,c,22,-0.122).
1104atm(d108,d108_12,c,29,0.008).
1105atm(d108,d108_13,h,3,0.138).
1106atm(d108,d108_14,c,28,0.008).
1107atm(d108,d108_15,c,28,0.008).
1108atm(d108,d108_16,c,22,-0.122).
1109atm(d108,d108_17,c,22,-0.122).
1110atm(d108,d108_18,c,22,-0.122).
1111atm(d108,d108_19,c,22,-0.122).
1112atm(d108,d108_20,h,3,0.138).
1113atm(d108,d108_21,h,3,0.138).
1114atm(d108,d108_22,h,3,0.138).
1115atm(d108,d108_23,h,3,0.138).
1116atm(d108,d108_24,n,38,0.809).
1117atm(d108,d108_25,o,40,-0.391).
1118atm(d108,d108_26,o,40,-0.391).
1119atm(d108,d108_27,h,3,0.138).
1120atm(d108,d108_28,h,3,0.139).
1121
1122bond(d108,d108_1,d108_2,7).
1123bond(d108,d108_2,d108_3,7).
1124bond(d108,d108_3,d108_4,7).
1125bond(d108,d108_4,d108_5,7).
1126bond(d108,d108_5,d108_6,7).
1127bond(d108,d108_6,d108_1,7).
1128bond(d108,d108_2,d108_7,1).
1129bond(d108,d108_6,d108_8,1).
1130bond(d108,d108_3,d108_9,7).
1131bond(d108,d108_9,d108_10,7).
1132bond(d108,d108_10,d108_11,7).
1133bond(d108,d108_11,d108_12,7).
1134bond(d108,d108_12,d108_4,7).
1135bond(d108,d108_11,d108_13,1).
1136bond(d108,d108_14,d108_15,7).
1137bond(d108,d108_15,d108_16,7).
1138bond(d108,d108_16,d108_17,7).
1139bond(d108,d108_17,d108_18,7).
1140bond(d108,d108_18,d108_19,7).
1141bond(d108,d108_19,d108_14,7).
1142bond(d108,d108_16,d108_20,1).
1143bond(d108,d108_17,d108_21,1).
1144bond(d108,d108_18,d108_22,1).
1145bond(d108,d108_19,d108_23,1).
1146bond(d108,d108_14,d108_5,1).
1147bond(d108,d108_15,d108_12,1).
1148bond(d108,d108_9,d108_24,1).
1149bond(d108,d108_24,d108_25,2).
1150bond(d108,d108_24,d108_26,2).
1151bond(d108,d108_1,d108_27,1).
1152bond(d108,d108_10,d108_28,1).
1153atm(d109,d109_1,c,22,-0.113).
1154atm(d109,d109_2,c,22,-0.113).
1155atm(d109,d109_3,c,22,-0.113).
1156atm(d109,d109_4,c,29,0.017).
1157atm(d109,d109_5,c,27,-0.083).
1158atm(d109,d109_6,c,27,0.017).
1159atm(d109,d109_7,c,29,0.017).
1160atm(d109,d109_8,c,27,-0.083).
1161atm(d109,d109_9,c,27,-0.083).
1162atm(d109,d109_10,c,27,-0.083).
1163atm(d109,d109_11,c,27,0.017).
1164atm(d109,d109_12,c,22,-0.113).
1165atm(d109,d109_13,c,22,-0.113).
1166atm(d109,d109_14,c,27,0.017).
1167atm(d109,d109_15,c,27,0.017).
1168atm(d109,d109_16,c,22,-0.113).
1169atm(d109,d109_17,c,22,-0.113).
1170atm(d109,d109_18,c,22,-0.113).
1171atm(d109,d109_19,c,22,-0.113).
1172atm(d109,d109_20,c,22,-0.113).
1173atm(d109,d109_21,c,22,-0.113).
1174atm(d109,d109_22,c,22,-0.113).
1175atm(d109,d109_23,n,38,0.818).
1176atm(d109,d109_24,n,38,0.818).
1177atm(d109,d109_25,o,40,-0.382).
1178atm(d109,d109_26,o,40,-0.382).
1179atm(d109,d109_27,o,40,-0.382).
1180atm(d109,d109_28,o,40,-0.382).
1181atm(d109,d109_29,h,3,0.148).
1182atm(d109,d109_30,h,3,0.148).
1183atm(d109,d109_31,h,3,0.148).
1184atm(d109,d109_32,h,3,0.147).
1185atm(d109,d109_33,h,3,0.147).
1186atm(d109,d109_34,h,3,0.148).
1187atm(d109,d109_35,h,3,0.148).
1188atm(d109,d109_36,h,3,0.148).
1189atm(d109,d109_37,h,3,0.148).
1190atm(d109,d109_38,h,3,0.148).
1191
1192bond(d109,d109_1,d109_2,7).
1193bond(d109,d109_2,d109_3,7).
1194bond(d109,d109_3,d109_4,7).
1195bond(d109,d109_4,d109_5,7).
1196bond(d109,d109_5,d109_6,7).
1197bond(d109,d109_6,d109_1,7).
1198bond(d109,d109_4,d109_7,1).
1199bond(d109,d109_7,d109_8,7).
1200bond(d109,d109_8,d109_9,7).
1201bond(d109,d109_9,d109_10,7).
1202bond(d109,d109_10,d109_5,7).
1203bond(d109,d109_8,d109_11,7).
1204bond(d109,d109_11,d109_12,7).
1205bond(d109,d109_12,d109_13,7).
1206bond(d109,d109_13,d109_14,7).
1207bond(d109,d109_14,d109_9,7).
1208bond(d109,d109_10,d109_15,7).
1209bond(d109,d109_15,d109_16,7).
1210bond(d109,d109_16,d109_17,7).
1211bond(d109,d109_17,d109_6,7).
1212bond(d109,d109_14,d109_18,7).
1213bond(d109,d109_18,d109_19,7).
1214bond(d109,d109_19,d109_15,7).
1215bond(d109,d109_7,d109_20,7).
1216bond(d109,d109_20,d109_21,7).
1217bond(d109,d109_21,d109_22,7).
1218bond(d109,d109_22,d109_11,7).
1219bond(d109,d109_22,d109_23,1).
1220bond(d109,d109_1,d109_24,1).
1221bond(d109,d109_23,d109_25,2).
1222bond(d109,d109_23,d109_26,2).
1223bond(d109,d109_24,d109_27,2).
1224bond(d109,d109_24,d109_28,2).
1225bond(d109,d109_2,d109_29,1).
1226bond(d109,d109_3,d109_30,1).
1227bond(d109,d109_12,d109_31,1).
1228bond(d109,d109_13,d109_32,1).
1229bond(d109,d109_16,d109_33,1).
1230bond(d109,d109_17,d109_34,1).
1231bond(d109,d109_18,d109_35,1).
1232bond(d109,d109_19,d109_36,1).
1233bond(d109,d109_20,d109_37,1).
1234bond(d109,d109_21,d109_38,1).
1235atm(d11,d11_1,c,22,-0.117).
1236atm(d11,d11_2,c,22,-0.117).
1237atm(d11,d11_3,c,22,-0.117).
1238atm(d11,d11_4,c,195,-0.087).
1239atm(d11,d11_5,c,195,0.013).
1240atm(d11,d11_6,c,22,-0.117).
1241atm(d11,d11_7,h,3,0.142).
1242atm(d11,d11_8,h,3,0.143).
1243atm(d11,d11_9,h,3,0.142).
1244atm(d11,d11_10,h,3,0.142).
1245atm(d11,d11_11,c,27,-0.087).
1246atm(d11,d11_12,c,27,0.013).
1247atm(d11,d11_13,c,22,-0.117).
1248atm(d11,d11_14,c,22,-0.117).
1249atm(d11,d11_15,h,3,0.143).
1250atm(d11,d11_16,c,22,-0.117).
1251atm(d11,d11_17,c,22,-0.117).
1252atm(d11,d11_18,c,22,-0.117).
1253atm(d11,d11_19,c,22,-0.117).
1254atm(d11,d11_20,h,3,0.143).
1255atm(d11,d11_21,h,3,0.142).
1256atm(d11,d11_22,h,3,0.143).
1257atm(d11,d11_23,h,3,0.142).
1258atm(d11,d11_24,n,38,0.812).
1259atm(d11,d11_25,o,40,-0.388).
1260atm(d11,d11_26,o,40,-0.388).
1261
1262bond(d11,d11_1,d11_2,7).
1263bond(d11,d11_2,d11_3,7).
1264bond(d11,d11_3,d11_4,7).
1265bond(d11,d11_4,d11_5,7).
1266bond(d11,d11_5,d11_6,7).
1267bond(d11,d11_6,d11_1,7).
1268bond(d11,d11_1,d11_7,1).
1269bond(d11,d11_2,d11_8,1).
1270bond(d11,d11_3,d11_9,1).
1271bond(d11,d11_6,d11_10,1).
1272bond(d11,d11_4,d11_11,7).
1273bond(d11,d11_11,d11_12,7).
1274bond(d11,d11_12,d11_13,7).
1275bond(d11,d11_13,d11_14,7).
1276bond(d11,d11_14,d11_5,7).
1277bond(d11,d11_13,d11_15,1).
1278bond(d11,d11_11,d11_16,7).
1279bond(d11,d11_16,d11_17,7).
1280bond(d11,d11_17,d11_18,7).
1281bond(d11,d11_18,d11_19,7).
1282bond(d11,d11_19,d11_12,7).
1283bond(d11,d11_16,d11_20,1).
1284bond(d11,d11_17,d11_21,1).
1285bond(d11,d11_19,d11_22,1).
1286bond(d11,d11_18,d11_23,1).
1287bond(d11,d11_24,d11_14,1).
1288bond(d11,d11_25,d11_24,2).
1289bond(d11,d11_26,d11_24,2).
1290atm(d110,d110_1,c,22,-0.113).
1291atm(d110,d110_2,c,22,-0.113).
1292atm(d110,d110_3,c,22,-0.113).
1293atm(d110,d110_4,c,29,0.017).
1294atm(d110,d110_5,c,22,-0.113).
1295atm(d110,d110_6,c,22,-0.113).
1296atm(d110,d110_7,h,3,0.147).
1297atm(d110,d110_8,h,3,0.147).
1298atm(d110,d110_9,h,3,0.147).
1299atm(d110,d110_10,c,29,0.017).
1300atm(d110,d110_11,c,22,-0.113).
1301atm(d110,d110_12,c,22,-0.113).
1302atm(d110,d110_13,c,22,-0.113).
1303atm(d110,d110_14,c,22,-0.113).
1304atm(d110,d110_15,c,22,-0.113).
1305atm(d110,d110_16,h,3,0.147).
1306atm(d110,d110_17,h,3,0.147).
1307atm(d110,d110_18,h,3,0.147).
1308atm(d110,d110_19,n,38,0.818).
1309atm(d110,d110_20,n,38,0.818).
1310atm(d110,d110_21,n,38,0.818).
1311atm(d110,d110_22,n,38,0.818).
1312atm(d110,d110_23,o,40,-0.382).
1313atm(d110,d110_24,o,40,-0.382).
1314atm(d110,d110_25,o,40,-0.382).
1315atm(d110,d110_26,o,40,-0.383).
1316atm(d110,d110_27,o,40,-0.383).
1317atm(d110,d110_28,o,40,-0.382).
1318atm(d110,d110_29,o,40,-0.382).
1319atm(d110,d110_30,o,40,-0.382).
1320
1321bond(d110,d110_1,d110_2,7).
1322bond(d110,d110_2,d110_3,7).
1323bond(d110,d110_3,d110_4,7).
1324bond(d110,d110_4,d110_5,7).
1325bond(d110,d110_5,d110_6,7).
1326bond(d110,d110_6,d110_1,7).
1327bond(d110,d110_1,d110_7,1).
1328bond(d110,d110_2,d110_8,1).
1329bond(d110,d110_6,d110_9,1).
1330bond(d110,d110_10,d110_11,7).
1331bond(d110,d110_11,d110_12,7).
1332bond(d110,d110_12,d110_13,7).
1333bond(d110,d110_13,d110_14,7).
1334bond(d110,d110_14,d110_15,7).
1335bond(d110,d110_15,d110_10,7).
1336bond(d110,d110_11,d110_16,1).
1337bond(d110,d110_12,d110_17,1).
1338bond(d110,d110_14,d110_18,1).
1339bond(d110,d110_4,d110_10,1).
1340bond(d110,d110_15,d110_19,1).
1341bond(d110,d110_13,d110_20,1).
1342bond(d110,d110_5,d110_21,1).
1343bond(d110,d110_3,d110_22,1).
1344bond(d110,d110_21,d110_23,2).
1345bond(d110,d110_21,d110_24,2).
1346bond(d110,d110_19,d110_25,2).
1347bond(d110,d110_19,d110_26,2).
1348bond(d110,d110_20,d110_27,2).
1349bond(d110,d110_20,d110_28,2).
1350bond(d110,d110_22,d110_29,2).
1351bond(d110,d110_22,d110_30,2).
1352atm(d111,d111_1,c,22,-0.122).
1353atm(d111,d111_2,c,22,-0.122).
1354atm(d111,d111_3,c,22,-0.122).
1355atm(d111,d111_4,c,22,-0.122).
1356atm(d111,d111_5,c,22,0.008).
1357atm(d111,d111_6,c,22,-0.122).
1358atm(d111,d111_7,h,3,0.138).
1359atm(d111,d111_8,h,3,0.138).
1360atm(d111,d111_9,h,3,0.138).
1361atm(d111,d111_10,c,14,0.238).
1362atm(d111,d111_11,o,41,-0.421).
1363atm(d111,d111_12,h,3,0.208).
1364atm(d111,d111_13,h,3,0.138).
1365atm(d111,d111_14,n,38,0.809).
1366atm(d111,d111_15,o,40,-0.392).
1367atm(d111,d111_16,o,40,-0.392).
1368
1369bond(d111,d111_1,d111_2,7).
1370bond(d111,d111_2,d111_3,7).
1371bond(d111,d111_3,d111_4,7).
1372bond(d111,d111_4,d111_5,7).
1373bond(d111,d111_5,d111_6,7).
1374bond(d111,d111_6,d111_1,7).
1375bond(d111,d111_1,d111_7,1).
1376bond(d111,d111_3,d111_8,1).
1377bond(d111,d111_6,d111_9,1).
1378bond(d111,d111_5,d111_10,1).
1379bond(d111,d111_10,d111_11,2).
1380bond(d111,d111_10,d111_12,1).
1381bond(d111,d111_4,d111_13,1).
1382bond(d111,d111_2,d111_14,1).
1383bond(d111,d111_14,d111_15,2).
1384bond(d111,d111_14,d111_16,2).
1385atm(d112,d112_1,c,22,-0.125).
1386atm(d112,d112_2,c,22,-0.125).
1387atm(d112,d112_3,c,27,0.005).
1388atm(d112,d112_4,c,27,0.005).
1389atm(d112,d112_5,c,22,0.005).
1390atm(d112,d112_6,c,22,-0.124).
1391atm(d112,d112_7,h,3,0.136).
1392atm(d112,d112_8,h,3,0.136).
1393atm(d112,d112_9,h,3,0.136).
1394atm(d112,d112_10,c,22,-0.125).
1395atm(d112,d112_11,c,22,-0.124).
1396atm(d112,d112_12,c,22,-0.125).
1397atm(d112,d112_13,c,22,0.005).
1398atm(d112,d112_14,h,3,0.136).
1399atm(d112,d112_15,h,3,0.136).
1400atm(d112,d112_16,c,10,-0.095).
1401atm(d112,d112_17,c,10,-0.095).
1402atm(d112,d112_18,h,3,0.055).
1403atm(d112,d112_19,h,3,0.055).
1404atm(d112,d112_20,h,3,0.055).
1405atm(d112,d112_21,h,3,0.055).
1406atm(d112,d112_22,n,38,0.806).
1407atm(d112,d112_23,o,40,-0.394).
1408atm(d112,d112_24,o,40,-0.394).
1409
1410bond(d112,d112_1,d112_2,7).
1411bond(d112,d112_2,d112_3,7).
1412bond(d112,d112_3,d112_4,7).
1413bond(d112,d112_4,d112_5,7).
1414bond(d112,d112_5,d112_6,7).
1415bond(d112,d112_6,d112_1,7).
1416bond(d112,d112_1,d112_7,1).
1417bond(d112,d112_2,d112_8,1).
1418bond(d112,d112_6,d112_9,1).
1419bond(d112,d112_3,d112_10,7).
1420bond(d112,d112_10,d112_11,7).
1421bond(d112,d112_11,d112_12,7).
1422bond(d112,d112_12,d112_13,7).
1423bond(d112,d112_13,d112_4,7).
1424bond(d112,d112_10,d112_14,1).
1425bond(d112,d112_11,d112_15,1).
1426bond(d112,d112_5,d112_16,1).
1427bond(d112,d112_16,d112_17,1).
1428bond(d112,d112_16,d112_18,1).
1429bond(d112,d112_16,d112_19,1).
1430bond(d112,d112_17,d112_13,1).
1431bond(d112,d112_17,d112_20,1).
1432bond(d112,d112_17,d112_21,1).
1433bond(d112,d112_12,d112_22,1).
1434bond(d112,d112_22,d112_23,2).
1435bond(d112,d112_22,d112_24,2).
1436atm(d113,d113_1,c,22,-0.12).
1437atm(d113,d113_2,c,22,-0.12).
1438atm(d113,d113_3,c,22,-0.12).
1439atm(d113,d113_4,c,22,-0.12).
1440atm(d113,d113_5,c,22,0.21).
1441atm(d113,d113_6,c,22,-0.12).
1442atm(d113,d113_7,h,3,0.14).
1443atm(d113,d113_8,h,3,0.14).
1444atm(d113,d113_9,h,3,0.14).
1445atm(d113,d113_10,n,32,-0.77).
1446atm(d113,d113_11,n,38,0.81).
1447atm(d113,d113_12,n,38,0.81).
1448atm(d113,d113_13,o,40,-0.39).
1449atm(d113,d113_14,o,40,-0.39).
1450atm(d113,d113_15,o,40,-0.39).
1451atm(d113,d113_16,o,40,-0.39).
1452atm(d113,d113_17,h,1,0.34).
1453atm(d113,d113_18,h,1,0.34).
1454
1455bond(d113,d113_1,d113_2,7).
1456bond(d113,d113_2,d113_3,7).
1457bond(d113,d113_3,d113_4,7).
1458bond(d113,d113_4,d113_5,7).
1459bond(d113,d113_5,d113_6,7).
1460bond(d113,d113_6,d113_1,7).
1461bond(d113,d113_1,d113_7,1).
1462bond(d113,d113_3,d113_8,1).
1463bond(d113,d113_6,d113_9,1).
1464bond(d113,d113_5,d113_10,1).
1465bond(d113,d113_4,d113_11,1).
1466bond(d113,d113_2,d113_12,1).
1467bond(d113,d113_11,d113_13,2).
1468bond(d113,d113_11,d113_14,2).
1469bond(d113,d113_12,d113_15,2).
1470bond(d113,d113_12,d113_16,2).
1471bond(d113,d113_10,d113_17,1).
1472bond(d113,d113_10,d113_18,1).
1473atm(d114,d114_1,c,22,-0.128).
1474atm(d114,d114_2,c,22,-0.128).
1475atm(d114,d114_3,c,22,-0.128).
1476atm(d114,d114_4,c,29,0.002).
1477atm(d114,d114_5,c,22,-0.128).
1478atm(d114,d114_6,c,22,-0.128).
1479atm(d114,d114_7,h,3,0.132).
1480atm(d114,d114_8,h,3,0.132).
1481atm(d114,d114_9,h,3,0.132).
1482atm(d114,d114_10,h,3,0.132).
1483atm(d114,d114_11,c,29,0.002).
1484atm(d114,d114_12,c,22,-0.128).
1485atm(d114,d114_13,c,22,-0.128).
1486atm(d114,d114_14,c,22,-0.128).
1487atm(d114,d114_15,c,22,-0.128).
1488atm(d114,d114_16,c,22,0.202).
1489atm(d114,d114_17,h,3,0.132).
1490atm(d114,d114_18,h,3,0.132).
1491atm(d114,d114_19,h,3,0.132).
1492atm(d114,d114_20,h,3,0.132).
1493atm(d114,d114_21,n,32,-0.779).
1494atm(d114,d114_22,n,38,0.801).
1495atm(d114,d114_23,o,40,-0.398).
1496atm(d114,d114_24,o,40,-0.398).
1497atm(d114,d114_25,h,1,0.332).
1498atm(d114,d114_26,h,1,0.332).
1499
1500bond(d114,d114_1,d114_2,7).
1501bond(d114,d114_2,d114_3,7).
1502bond(d114,d114_3,d114_4,7).
1503bond(d114,d114_4,d114_5,7).
1504bond(d114,d114_5,d114_6,7).
1505bond(d114,d114_6,d114_1,7).
1506bond(d114,d114_2,d114_7,1).
1507bond(d114,d114_3,d114_8,1).
1508bond(d114,d114_5,d114_9,1).
1509bond(d114,d114_6,d114_10,1).
1510bond(d114,d114_11,d114_12,7).
1511bond(d114,d114_12,d114_13,7).
1512bond(d114,d114_13,d114_14,7).
1513bond(d114,d114_14,d114_15,7).
1514bond(d114,d114_15,d114_16,7).
1515bond(d114,d114_16,d114_11,7).
1516bond(d114,d114_12,d114_17,1).
1517bond(d114,d114_13,d114_18,1).
1518bond(d114,d114_14,d114_19,1).
1519bond(d114,d114_15,d114_20,1).
1520bond(d114,d114_4,d114_11,1).
1521bond(d114,d114_16,d114_21,1).
1522bond(d114,d114_1,d114_22,1).
1523bond(d114,d114_22,d114_23,2).
1524bond(d114,d114_22,d114_24,2).
1525bond(d114,d114_21,d114_25,1).
1526bond(d114,d114_21,d114_26,1).
1527atm(d115,d115_1,c,22,-0.122).
1528atm(d115,d115_2,c,22,-0.122).
1529atm(d115,d115_3,c,22,-0.122).
1530atm(d115,d115_4,c,22,0.108).
1531atm(d115,d115_5,c,22,-0.122).
1532atm(d115,d115_6,c,22,-0.122).
1533atm(d115,d115_7,h,3,0.139).
1534atm(d115,d115_8,h,3,0.139).
1535atm(d115,d115_9,h,3,0.139).
1536atm(d115,d115_10,c,10,0.108).
1537atm(d115,d115_11,c,16,-0.191).
1538atm(d115,d115_12,h,3,0.058).
1539atm(d115,d115_13,h,3,0.058).
1540atm(d115,d115_14,c,16,-0.191).
1541atm(d115,d115_15,h,3,0.108).
1542atm(d115,d115_16,h,3,0.108).
1543atm(d115,d115_17,n,38,0.809).
1544atm(d115,d115_18,o,40,-0.391).
1545atm(d115,d115_19,o,40,-0.391).
1546
1547bond(d115,d115_1,d115_2,7).
1548bond(d115,d115_2,d115_3,7).
1549bond(d115,d115_3,d115_4,7).
1550bond(d115,d115_4,d115_5,7).
1551bond(d115,d115_5,d115_6,7).
1552bond(d115,d115_6,d115_1,7).
1553bond(d115,d115_1,d115_7,1).
1554bond(d115,d115_2,d115_8,1).
1555bond(d115,d115_5,d115_9,1).
1556bond(d115,d115_3,d115_10,1).
1557bond(d115,d115_10,d115_11,1).
1558bond(d115,d115_10,d115_12,1).
1559bond(d115,d115_10,d115_13,1).
1560bond(d115,d115_4,d115_14,1).
1561bond(d115,d115_14,d115_11,2).
1562bond(d115,d115_14,d115_15,1).
1563bond(d115,d115_11,d115_16,1).
1564bond(d115,d115_6,d115_17,1).
1565bond(d115,d115_17,d115_18,2).
1566bond(d115,d115_17,d115_19,2).
1567atm(d116,d116_1,c,22,-0.121).
1568atm(d116,d116_2,c,22,0.31).
1569atm(d116,d116_3,c,22,-0.121).
1570atm(d116,d116_4,c,22,-0.121).
1571atm(d116,d116_5,c,22,-0.121).
1572atm(d116,d116_6,c,22,-0.121).
1573atm(d116,d116_7,h,3,0.139).
1574atm(d116,d116_8,h,3,0.139).
1575atm(d116,d116_9,h,3,0.139).
1576atm(d116,d116_10,h,3,0.139).
1577atm(d116,d116_11,n,38,0.81).
1578atm(d116,d116_12,f,92,-0.291).
1579atm(d116,d116_13,o,40,-0.39).
1580atm(d116,d116_14,o,40,-0.39).
1581
1582bond(d116,d116_1,d116_2,7).
1583bond(d116,d116_2,d116_3,7).
1584bond(d116,d116_3,d116_4,7).
1585bond(d116,d116_4,d116_5,7).
1586bond(d116,d116_5,d116_6,7).
1587bond(d116,d116_6,d116_1,7).
1588bond(d116,d116_1,d116_7,1).
1589bond(d116,d116_3,d116_8,1).
1590bond(d116,d116_4,d116_9,1).
1591bond(d116,d116_6,d116_10,1).
1592bond(d116,d116_5,d116_11,1).
1593bond(d116,d116_2,d116_12,1).
1594bond(d116,d116_11,d116_13,2).
1595bond(d116,d116_11,d116_14,2).
1596atm(d117,d117_1,c,22,-0.116).
1597atm(d117,d117_2,c,22,-0.116).
1598atm(d117,d117_3,c,22,-0.116).
1599atm(d117,d117_4,c,29,0.014).
1600atm(d117,d117_5,c,22,-0.116).
1601atm(d117,d117_6,c,22,-0.116).
1602atm(d117,d117_7,h,3,0.144).
1603atm(d117,d117_8,h,3,0.144).
1604atm(d117,d117_9,h,3,0.144).
1605atm(d117,d117_10,h,3,0.144).
1606atm(d117,d117_11,c,29,0.014).
1607atm(d117,d117_12,c,22,-0.116).
1608atm(d117,d117_13,c,22,-0.116).
1609atm(d117,d117_14,c,22,-0.116).
1610atm(d117,d117_15,c,22,-0.116).
1611atm(d117,d117_16,c,22,-0.116).
1612atm(d117,d117_17,h,3,0.144).
1613atm(d117,d117_18,h,3,0.144).
1614atm(d117,d117_19,h,3,0.144).
1615atm(d117,d117_20,n,38,0.813).
1616atm(d117,d117_21,n,38,0.813).
1617atm(d117,d117_22,n,38,0.814).
1618atm(d117,d117_23,o,40,-0.386).
1619atm(d117,d117_24,o,40,-0.386).
1620atm(d117,d117_25,o,40,-0.386).
1621atm(d117,d117_26,o,40,-0.386).
1622atm(d117,d117_27,o,40,-0.386).
1623atm(d117,d117_28,o,40,-0.386).
1624
1625bond(d117,d117_1,d117_2,7).
1626bond(d117,d117_2,d117_3,7).
1627bond(d117,d117_3,d117_4,7).
1628bond(d117,d117_4,d117_5,7).
1629bond(d117,d117_5,d117_6,7).
1630bond(d117,d117_6,d117_1,7).
1631bond(d117,d117_1,d117_7,1).
1632bond(d117,d117_2,d117_8,1).
1633bond(d117,d117_3,d117_9,1).
1634bond(d117,d117_5,d117_10,1).
1635bond(d117,d117_11,d117_12,7).
1636bond(d117,d117_12,d117_13,7).
1637bond(d117,d117_13,d117_14,7).
1638bond(d117,d117_14,d117_15,7).
1639bond(d117,d117_15,d117_16,7).
1640bond(d117,d117_16,d117_11,7).
1641bond(d117,d117_12,d117_17,1).
1642bond(d117,d117_13,d117_18,1).
1643bond(d117,d117_15,d117_19,1).
1644bond(d117,d117_4,d117_11,1).
1645bond(d117,d117_16,d117_20,1).
1646bond(d117,d117_14,d117_21,1).
1647bond(d117,d117_6,d117_22,1).
1648bond(d117,d117_22,d117_23,2).
1649bond(d117,d117_22,d117_24,2).
1650bond(d117,d117_20,d117_25,2).
1651bond(d117,d117_20,d117_26,2).
1652bond(d117,d117_21,d117_27,2).
1653bond(d117,d117_21,d117_28,2).
1654atm(d118,d118_1,c,10,-0.091).
1655atm(d118,d118_2,c,10,-0.091).
1656atm(d118,d118_3,c,22,0.009).
1657atm(d118,d118_4,c,22,0.009).
1658atm(d118,d118_5,c,10,-0.091).
1659atm(d118,d118_6,c,10,-0.091).
1660atm(d118,d118_7,c,22,-0.122).
1661atm(d118,d118_8,c,27,0.009).
1662atm(d118,d118_9,c,27,-0.091).
1663atm(d118,d118_10,c,27,0.009).
1664atm(d118,d118_11,c,22,-0.121).
1665atm(d118,d118_12,c,22,-0.122).
1666atm(d118,d118_13,c,27,0.009).
1667atm(d118,d118_14,c,27,-0.091).
1668atm(d118,d118_15,c,27,0.009).
1669atm(d118,d118_16,c,22,-0.121).
1670atm(d118,d118_17,c,22,-0.121).
1671atm(d118,d118_18,c,22,-0.121).
1672atm(d118,d118_19,c,22,-0.121).
1673atm(d118,d118_20,c,22,-0.121).
1674atm(d118,d118_21,n,38,0.808).
1675atm(d118,d118_22,o,40,-0.392).
1676atm(d118,d118_23,o,40,-0.392).
1677atm(d118,d118_24,h,3,0.138).
1678atm(d118,d118_25,h,3,0.138).
1679atm(d118,d118_26,h,3,0.138).
1680atm(d118,d118_27,h,3,0.138).
1681atm(d118,d118_28,h,3,0.138).
1682atm(d118,d118_29,h,3,0.138).
1683atm(d118,d118_30,h,3,0.138).
1684atm(d118,d118_31,h,3,0.059).
1685atm(d118,d118_32,h,3,0.059).
1686atm(d118,d118_33,h,3,0.059).
1687atm(d118,d118_34,h,3,0.059).
1688atm(d118,d118_35,h,3,0.059).
1689atm(d118,d118_36,h,3,0.059).
1690atm(d118,d118_37,h,3,0.059).
1691atm(d118,d118_38,h,3,0.059).
1692
1693bond(d118,d118_1,d118_2,1).
1694bond(d118,d118_2,d118_3,1).
1695bond(d118,d118_3,d118_4,7).
1696bond(d118,d118_4,d118_5,1).
1697bond(d118,d118_5,d118_6,1).
1698bond(d118,d118_6,d118_1,1).
1699bond(d118,d118_3,d118_7,7).
1700bond(d118,d118_7,d118_8,7).
1701bond(d118,d118_8,d118_9,7).
1702bond(d118,d118_9,d118_10,7).
1703bond(d118,d118_10,d118_4,7).
1704bond(d118,d118_8,d118_11,7).
1705bond(d118,d118_11,d118_12,7).
1706bond(d118,d118_12,d118_13,7).
1707bond(d118,d118_13,d118_14,7).
1708bond(d118,d118_14,d118_9,7).
1709bond(d118,d118_14,d118_15,7).
1710bond(d118,d118_15,d118_16,7).
1711bond(d118,d118_16,d118_17,7).
1712bond(d118,d118_17,d118_10,7).
1713bond(d118,d118_13,d118_18,7).
1714bond(d118,d118_18,d118_19,7).
1715bond(d118,d118_19,d118_20,7).
1716bond(d118,d118_20,d118_15,7).
1717bond(d118,d118_18,d118_21,1).
1718bond(d118,d118_21,d118_22,2).
1719bond(d118,d118_21,d118_23,2).
1720bond(d118,d118_7,d118_24,1).
1721bond(d118,d118_11,d118_25,1).
1722bond(d118,d118_12,d118_26,1).
1723bond(d118,d118_16,d118_27,1).
1724bond(d118,d118_17,d118_28,1).
1725bond(d118,d118_19,d118_29,1).
1726bond(d118,d118_20,d118_30,1).
1727bond(d118,d118_2,d118_31,1).
1728bond(d118,d118_2,d118_32,1).
1729bond(d118,d118_1,d118_33,1).
1730bond(d118,d118_1,d118_34,1).
1731bond(d118,d118_6,d118_35,1).
1732bond(d118,d118_6,d118_36,1).
1733bond(d118,d118_5,d118_37,1).
1734bond(d118,d118_5,d118_38,1).
1735atm(d119,d119_1,c,22,-0.116).
1736atm(d119,d119_2,c,22,-0.116).
1737atm(d119,d119_3,c,22,-0.116).
1738atm(d119,d119_4,c,29,0.014).
1739atm(d119,d119_5,c,22,-0.116).
1740atm(d119,d119_6,c,22,-0.116).
1741atm(d119,d119_7,h,3,0.144).
1742atm(d119,d119_8,h,3,0.144).
1743atm(d119,d119_9,h,3,0.144).
1744atm(d119,d119_10,h,3,0.144).
1745atm(d119,d119_11,c,29,0.014).
1746atm(d119,d119_12,c,22,-0.116).
1747atm(d119,d119_13,c,22,-0.116).
1748atm(d119,d119_14,c,22,-0.116).
1749atm(d119,d119_15,c,22,-0.116).
1750atm(d119,d119_16,c,22,-0.116).
1751atm(d119,d119_17,h,3,0.144).
1752atm(d119,d119_18,h,3,0.144).
1753atm(d119,d119_19,h,3,0.144).
1754atm(d119,d119_20,n,38,0.813).
1755atm(d119,d119_21,n,38,0.813).
1756atm(d119,d119_22,n,38,0.814).
1757atm(d119,d119_23,o,40,-0.386).
1758atm(d119,d119_24,o,40,-0.386).
1759atm(d119,d119_25,o,40,-0.386).
1760atm(d119,d119_26,o,40,-0.386).
1761atm(d119,d119_27,o,40,-0.386).
1762atm(d119,d119_28,o,40,-0.386).
1763
1764bond(d119,d119_1,d119_2,7).
1765bond(d119,d119_2,d119_3,7).
1766bond(d119,d119_3,d119_4,7).
1767bond(d119,d119_4,d119_5,7).
1768bond(d119,d119_5,d119_6,7).
1769bond(d119,d119_6,d119_1,7).
1770bond(d119,d119_1,d119_7,1).
1771bond(d119,d119_2,d119_8,1).
1772bond(d119,d119_3,d119_9,1).
1773bond(d119,d119_6,d119_10,1).
1774bond(d119,d119_11,d119_12,7).
1775bond(d119,d119_12,d119_13,7).
1776bond(d119,d119_13,d119_14,7).
1777bond(d119,d119_14,d119_15,7).
1778bond(d119,d119_15,d119_16,7).
1779bond(d119,d119_16,d119_11,7).
1780bond(d119,d119_12,d119_17,1).
1781bond(d119,d119_13,d119_18,1).
1782bond(d119,d119_15,d119_19,1).
1783bond(d119,d119_4,d119_11,1).
1784bond(d119,d119_16,d119_20,1).
1785bond(d119,d119_14,d119_21,1).
1786bond(d119,d119_5,d119_22,1).
1787bond(d119,d119_22,d119_23,2).
1788bond(d119,d119_22,d119_24,2).
1789bond(d119,d119_20,d119_25,2).
1790bond(d119,d119_20,d119_26,2).
1791bond(d119,d119_21,d119_27,2).
1792bond(d119,d119_21,d119_28,2).
1793atm(d12,d12_1,c,22,-0.111).
1794atm(d12,d12_2,c,22,-0.111).
1795atm(d12,d12_3,c,27,0.019).
1796atm(d12,d12_4,c,27,-0.081).
1797atm(d12,d12_5,c,27,0.019).
1798atm(d12,d12_6,c,22,-0.111).
1799atm(d12,d12_7,h,3,0.149).
1800atm(d12,d12_8,h,3,0.15).
1801atm(d12,d12_9,c,27,-0.081).
1802atm(d12,d12_10,c,27,0.019).
1803atm(d12,d12_11,c,22,-0.111).
1804atm(d12,d12_12,c,22,-0.111).
1805atm(d12,d12_13,h,3,0.15).
1806atm(d12,d12_14,h,3,0.15).
1807atm(d12,d12_15,c,22,-0.111).
1808atm(d12,d12_16,c,22,-0.111).
1809atm(d12,d12_17,c,27,0.019).
1810atm(d12,d12_18,h,3,0.149).
1811atm(d12,d12_19,h,3,0.149).
1812atm(d12,d12_20,c,22,-0.111).
1813atm(d12,d12_21,c,22,-0.111).
1814atm(d12,d12_22,c,22,-0.111).
1815atm(d12,d12_23,h,3,0.15).
1816atm(d12,d12_24,h,3,0.149).
1817atm(d12,d12_25,n,38,0.82).
1818atm(d12,d12_26,o,40,-0.38).
1819atm(d12,d12_27,o,40,-0.38).
1820atm(d12,d12_28,n,32,-0.76).
1821atm(d12,d12_29,h,1,0.35).
1822atm(d12,d12_30,h,1,0.35).
1823
1824bond(d12,d12_1,d12_2,7).
1825bond(d12,d12_2,d12_3,7).
1826bond(d12,d12_3,d12_4,7).
1827bond(d12,d12_4,d12_5,7).
1828bond(d12,d12_5,d12_6,7).
1829bond(d12,d12_6,d12_1,7).
1830bond(d12,d12_1,d12_7,1).
1831bond(d12,d12_2,d12_8,1).
1832bond(d12,d12_4,d12_9,7).
1833bond(d12,d12_9,d12_10,7).
1834bond(d12,d12_10,d12_11,7).
1835bond(d12,d12_11,d12_12,7).
1836bond(d12,d12_12,d12_5,7).
1837bond(d12,d12_11,d12_13,1).
1838bond(d12,d12_12,d12_14,1).
1839bond(d12,d12_3,d12_15,7).
1840bond(d12,d12_15,d12_16,7).
1841bond(d12,d12_16,d12_17,7).
1842bond(d12,d12_17,d12_9,7).
1843bond(d12,d12_15,d12_18,1).
1844bond(d12,d12_16,d12_19,1).
1845bond(d12,d12_17,d12_20,7).
1846bond(d12,d12_20,d12_21,7).
1847bond(d12,d12_21,d12_22,7).
1848bond(d12,d12_22,d12_10,7).
1849bond(d12,d12_20,d12_23,1).
1850bond(d12,d12_21,d12_24,1).
1851bond(d12,d12_25,d12_6,1).
1852bond(d12,d12_26,d12_25,2).
1853bond(d12,d12_27,d12_25,2).
1854bond(d12,d12_22,d12_28,1).
1855bond(d12,d12_28,d12_29,1).
1856bond(d12,d12_28,d12_30,1).
1857atm(d120,d120_1,c,22,-0.107).
1858atm(d120,d120_2,c,22,-0.107).
1859atm(d120,d120_3,c,26,0.323).
1860atm(d120,d120_4,c,26,0.123).
1861atm(d120,d120_5,c,22,-0.107).
1862atm(d120,d120_6,c,22,-0.107).
1863atm(d120,d120_7,n,34,-0.517).
1864atm(d120,d120_8,n,34,-0.377).
1865atm(d120,d120_9,c,21,-0.107).
1866atm(d120,d120_10,c,10,0.113).
1867atm(d120,d120_11,n,38,0.823).
1868atm(d120,d120_12,o,40,-0.377).
1869atm(d120,d120_13,o,40,-0.377).
1870atm(d120,d120_14,h,3,0.153).
1871atm(d120,d120_15,h,3,0.153).
1872atm(d120,d120_16,h,3,0.123).
1873atm(d120,d120_17,h,3,0.153).
1874atm(d120,d120_18,h,3,0.073).
1875atm(d120,d120_19,h,3,0.073).
1876atm(d120,d120_20,h,3,0.073).
1877
1878bond(d120,d120_1,d120_2,7).
1879bond(d120,d120_2,d120_3,7).
1880bond(d120,d120_3,d120_4,7).
1881bond(d120,d120_4,d120_5,7).
1882bond(d120,d120_5,d120_6,7).
1883bond(d120,d120_6,d120_1,7).
1884bond(d120,d120_3,d120_7,7).
1885bond(d120,d120_7,d120_8,7).
1886bond(d120,d120_4,d120_9,7).
1887bond(d120,d120_9,d120_8,7).
1888bond(d120,d120_7,d120_10,1).
1889bond(d120,d120_6,d120_11,1).
1890bond(d120,d120_11,d120_12,2).
1891bond(d120,d120_11,d120_13,2).
1892bond(d120,d120_1,d120_14,1).
1893bond(d120,d120_2,d120_15,1).
1894bond(d120,d120_5,d120_16,1).
1895bond(d120,d120_9,d120_17,1).
1896bond(d120,d120_10,d120_18,1).
1897bond(d120,d120_10,d120_19,1).
1898bond(d120,d120_10,d120_20,1).
1899atm(d121,d121_1,c,22,-0.115).
1900atm(d121,d121_2,c,22,-0.115).
1901atm(d121,d121_3,c,27,0.015).
1902atm(d121,d121_4,c,27,-0.085).
1903atm(d121,d121_5,c,28,0.015).
1904atm(d121,d121_6,c,22,-0.115).
1905atm(d121,d121_7,h,3,0.145).
1906atm(d121,d121_8,h,3,0.145).
1907atm(d121,d121_9,c,22,-0.115).
1908atm(d121,d121_10,c,22,-0.115).
1909atm(d121,d121_11,c,22,-0.115).
1910atm(d121,d121_12,c,29,0.015).
1911atm(d121,d121_13,h,3,0.145).
1912atm(d121,d121_14,c,28,0.015).
1913atm(d121,d121_15,c,28,0.015).
1914atm(d121,d121_16,c,22,-0.115).
1915atm(d121,d121_17,c,22,-0.115).
1916atm(d121,d121_18,c,22,-0.115).
1917atm(d121,d121_19,c,22,-0.115).
1918atm(d121,d121_20,h,3,0.146).
1919atm(d121,d121_21,h,3,0.145).
1920atm(d121,d121_22,h,3,0.145).
1921atm(d121,d121_23,h,3,0.145).
1922atm(d121,d121_24,n,38,0.816).
1923atm(d121,d121_25,n,38,0.816).
1924atm(d121,d121_26,n,38,0.816).
1925atm(d121,d121_27,o,40,-0.384).
1926atm(d121,d121_28,o,40,-0.384).
1927atm(d121,d121_29,o,40,-0.384).
1928atm(d121,d121_30,o,40,-0.384).
1929atm(d121,d121_31,o,40,-0.384).
1930atm(d121,d121_32,o,40,-0.384).
1931
1932bond(d121,d121_1,d121_2,7).
1933bond(d121,d121_2,d121_3,7).
1934bond(d121,d121_3,d121_4,7).
1935bond(d121,d121_4,d121_5,7).
1936bond(d121,d121_5,d121_6,7).
1937bond(d121,d121_6,d121_1,7).
1938bond(d121,d121_2,d121_7,1).
1939bond(d121,d121_6,d121_8,1).
1940bond(d121,d121_3,d121_9,7).
1941bond(d121,d121_9,d121_10,7).
1942bond(d121,d121_10,d121_11,7).
1943bond(d121,d121_11,d121_12,7).
1944bond(d121,d121_12,d121_4,7).
1945bond(d121,d121_9,d121_13,1).
1946bond(d121,d121_14,d121_15,7).
1947bond(d121,d121_15,d121_16,7).
1948bond(d121,d121_16,d121_17,7).
1949bond(d121,d121_17,d121_18,7).
1950bond(d121,d121_18,d121_19,7).
1951bond(d121,d121_19,d121_14,7).
1952bond(d121,d121_16,d121_20,1).
1953bond(d121,d121_17,d121_21,1).
1954bond(d121,d121_18,d121_22,1).
1955bond(d121,d121_19,d121_23,1).
1956bond(d121,d121_14,d121_5,1).
1957bond(d121,d121_15,d121_12,1).
1958bond(d121,d121_11,d121_24,1).
1959bond(d121,d121_10,d121_25,1).
1960bond(d121,d121_1,d121_26,1).
1961bond(d121,d121_24,d121_27,2).
1962bond(d121,d121_24,d121_28,2).
1963bond(d121,d121_25,d121_29,2).
1964bond(d121,d121_25,d121_30,2).
1965bond(d121,d121_26,d121_31,2).
1966bond(d121,d121_26,d121_32,2).
1967atm(d122,d122_1,c,22,-0.113).
1968atm(d122,d122_2,c,22,-0.113).
1969atm(d122,d122_3,c,27,0.017).
1970atm(d122,d122_4,c,27,-0.083).
1971atm(d122,d122_5,c,22,-0.113).
1972atm(d122,d122_6,c,22,-0.113).
1973atm(d122,d122_7,h,3,0.146).
1974atm(d122,d122_8,h,3,0.146).
1975atm(d122,d122_9,h,3,0.146).
1976atm(d122,d122_10,h,3,0.146).
1977atm(d122,d122_11,c,22,-0.113).
1978atm(d122,d122_12,c,22,-0.113).
1979atm(d122,d122_13,c,195,-0.083).
1980atm(d122,d122_14,c,195,-0.083).
1981atm(d122,d122_15,h,3,0.146).
1982atm(d122,d122_16,c,27,-0.083).
1983atm(d122,d122_17,c,27,0.017).
1984atm(d122,d122_18,c,22,-0.113).
1985atm(d122,d122_19,c,22,-0.113).
1986atm(d122,d122_20,h,3,0.146).
1987atm(d122,d122_21,h,3,0.146).
1988atm(d122,d122_22,c,22,-0.113).
1989atm(d122,d122_23,c,22,-0.113).
1990atm(d122,d122_24,c,22,-0.113).
1991atm(d122,d122_25,c,22,-0.113).
1992atm(d122,d122_26,h,3,0.146).
1993atm(d122,d122_27,h,3,0.146).
1994atm(d122,d122_28,h,3,0.146).
1995atm(d122,d122_29,h,3,0.146).
1996atm(d122,d122_30,n,38,0.816).
1997atm(d122,d122_31,o,40,-0.384).
1998atm(d122,d122_32,o,40,-0.384).
1999
2000bond(d122,d122_1,d122_2,7).
2001bond(d122,d122_2,d122_3,7).
2002bond(d122,d122_3,d122_4,7).
2003bond(d122,d122_4,d122_5,7).
2004bond(d122,d122_5,d122_6,7).
2005bond(d122,d122_6,d122_1,7).
2006bond(d122,d122_1,d122_7,1).
2007bond(d122,d122_2,d122_8,1).
2008bond(d122,d122_5,d122_9,1).
2009bond(d122,d122_6,d122_10,1).
2010bond(d122,d122_3,d122_11,7).
2011bond(d122,d122_11,d122_12,7).
2012bond(d122,d122_12,d122_13,7).
2013bond(d122,d122_13,d122_14,7).
2014bond(d122,d122_14,d122_4,7).
2015bond(d122,d122_12,d122_15,1).
2016bond(d122,d122_13,d122_16,7).
2017bond(d122,d122_16,d122_17,7).
2018bond(d122,d122_17,d122_18,7).
2019bond(d122,d122_18,d122_19,7).
2020bond(d122,d122_19,d122_14,7).
2021bond(d122,d122_18,d122_20,1).
2022bond(d122,d122_19,d122_21,1).
2023bond(d122,d122_16,d122_22,7).
2024bond(d122,d122_22,d122_23,7).
2025bond(d122,d122_23,d122_24,7).
2026bond(d122,d122_24,d122_25,7).
2027bond(d122,d122_25,d122_17,7).
2028bond(d122,d122_22,d122_26,1).
2029bond(d122,d122_23,d122_27,1).
2030bond(d122,d122_24,d122_28,1).
2031bond(d122,d122_25,d122_29,1).
2032bond(d122,d122_11,d122_30,1).
2033bond(d122,d122_30,d122_31,2).
2034bond(d122,d122_30,d122_32,2).
2035atm(d123,d123_1,c,22,-0.124).
2036atm(d123,d123_2,c,22,-0.124).
2037atm(d123,d123_3,c,22,-0.124).
2038atm(d123,d123_4,c,29,0.006).
2039atm(d123,d123_5,c,22,-0.173).
2040atm(d123,d123_6,c,22,-0.124).
2041atm(d123,d123_7,h,3,0.137).
2042atm(d123,d123_8,h,3,0.137).
2043atm(d123,d123_9,h,3,0.137).
2044atm(d123,d123_10,h,3,0.137).
2045atm(d123,d123_11,c,29,0.006).
2046atm(d123,d123_12,c,22,-0.124).
2047atm(d123,d123_13,c,22,-0.124).
2048atm(d123,d123_14,c,22,-0.124).
2049atm(d123,d123_15,c,22,-0.173).
2050atm(d123,d123_16,c,22,-0.124).
2051atm(d123,d123_17,h,3,0.136).
2052atm(d123,d123_18,h,3,0.136).
2053atm(d123,d123_19,c,10,0.006).
2054atm(d123,d123_20,h,3,0.056).
2055atm(d123,d123_21,h,3,0.056).
2056atm(d123,d123_22,h,3,0.056).
2057atm(d123,d123_23,h,3,0.137).
2058atm(d123,d123_24,c,10,0.006).
2059atm(d123,d123_25,h,3,0.056).
2060atm(d123,d123_26,h,3,0.056).
2061atm(d123,d123_27,h,3,0.056).
2062atm(d123,d123_28,n,38,0.807).
2063atm(d123,d123_29,o,40,-0.393).
2064atm(d123,d123_30,o,40,-0.393).
2065
2066bond(d123,d123_1,d123_2,7).
2067bond(d123,d123_2,d123_3,7).
2068bond(d123,d123_3,d123_4,7).
2069bond(d123,d123_4,d123_5,7).
2070bond(d123,d123_5,d123_6,7).
2071bond(d123,d123_6,d123_1,7).
2072bond(d123,d123_1,d123_7,1).
2073bond(d123,d123_2,d123_8,1).
2074bond(d123,d123_3,d123_9,1).
2075bond(d123,d123_6,d123_10,1).
2076bond(d123,d123_11,d123_12,7).
2077bond(d123,d123_12,d123_13,7).
2078bond(d123,d123_13,d123_14,7).
2079bond(d123,d123_14,d123_15,7).
2080bond(d123,d123_15,d123_16,7).
2081bond(d123,d123_16,d123_11,7).
2082bond(d123,d123_12,d123_17,1).
2083bond(d123,d123_13,d123_18,1).
2084bond(d123,d123_4,d123_11,1).
2085bond(d123,d123_15,d123_19,1).
2086bond(d123,d123_19,d123_20,1).
2087bond(d123,d123_19,d123_21,1).
2088bond(d123,d123_19,d123_22,1).
2089bond(d123,d123_16,d123_23,1).
2090bond(d123,d123_5,d123_24,1).
2091bond(d123,d123_24,d123_25,1).
2092bond(d123,d123_24,d123_26,1).
2093bond(d123,d123_24,d123_27,1).
2094bond(d123,d123_14,d123_28,1).
2095bond(d123,d123_28,d123_29,2).
2096bond(d123,d123_28,d123_30,2).
2097atm(d124,d124_1,c,22,-0.121).
2098atm(d124,d124_2,c,22,0.309).
2099atm(d124,d124_3,c,22,-0.121).
2100atm(d124,d124_4,c,22,0.31).
2101atm(d124,d124_5,c,22,-0.121).
2102atm(d124,d124_6,c,22,-0.121).
2103atm(d124,d124_7,h,3,0.139).
2104atm(d124,d124_8,h,3,0.139).
2105atm(d124,d124_9,h,3,0.139).
2106atm(d124,d124_10,n,38,0.81).
2107atm(d124,d124_11,f,92,-0.291).
2108atm(d124,d124_12,f,92,-0.291).
2109atm(d124,d124_13,o,40,-0.39).
2110atm(d124,d124_14,o,40,-0.39).
2111
2112bond(d124,d124_1,d124_2,7).
2113bond(d124,d124_2,d124_3,7).
2114bond(d124,d124_3,d124_4,7).
2115bond(d124,d124_4,d124_5,7).
2116bond(d124,d124_5,d124_6,7).
2117bond(d124,d124_6,d124_1,7).
2118bond(d124,d124_1,d124_7,1).
2119bond(d124,d124_3,d124_8,1).
2120bond(d124,d124_6,d124_9,1).
2121bond(d124,d124_5,d124_10,1).
2122bond(d124,d124_4,d124_11,1).
2123bond(d124,d124_2,d124_12,1).
2124bond(d124,d124_10,d124_13,2).
2125bond(d124,d124_10,d124_14,2).
2126atm(d125,d125_1,c,22,-0.119).
2127atm(d125,d125_2,c,22,-0.119).
2128atm(d125,d125_3,c,22,0.011).
2129atm(d125,d125_4,c,195,-0.089).
2130atm(d125,d125_5,c,195,0.011).
2131atm(d125,d125_6,c,22,-0.119).
2132atm(d125,d125_7,c,10,-0.089).
2133atm(d125,d125_8,c,10,-0.089).
2134atm(d125,d125_9,c,22,0.011).
2135atm(d125,d125_10,c,27,-0.089).
2136atm(d125,d125_11,c,27,0.011).
2137atm(d125,d125_12,c,22,-0.119).
2138atm(d125,d125_13,c,22,-0.119).
2139atm(d125,d125_14,c,22,-0.119).
2140atm(d125,d125_15,c,22,-0.119).
2141atm(d125,d125_16,c,22,-0.119).
2142atm(d125,d125_17,n,38,0.811).
2143atm(d125,d125_18,h,3,0.141).
2144atm(d125,d125_19,h,3,0.141).
2145atm(d125,d125_20,h,3,0.141).
2146atm(d125,d125_21,h,3,0.141).
2147atm(d125,d125_22,h,3,0.141).
2148atm(d125,d125_23,h,3,0.141).
2149atm(d125,d125_24,h,3,0.141).
2150atm(d125,d125_25,h,3,0.061).
2151atm(d125,d125_26,h,3,0.061).
2152atm(d125,d125_27,h,3,0.061).
2153atm(d125,d125_28,h,3,0.061).
2154atm(d125,d125_29,o,40,-0.389).
2155atm(d125,d125_30,o,40,-0.389).
2156
2157bond(d125,d125_1,d125_2,7).
2158bond(d125,d125_2,d125_3,7).
2159bond(d125,d125_3,d125_4,7).
2160bond(d125,d125_4,d125_5,7).
2161bond(d125,d125_5,d125_6,7).
2162bond(d125,d125_6,d125_1,7).
2163bond(d125,d125_3,d125_7,1).
2164bond(d125,d125_7,d125_8,1).
2165bond(d125,d125_8,d125_9,1).
2166bond(d125,d125_9,d125_10,7).
2167bond(d125,d125_10,d125_4,7).
2168bond(d125,d125_10,d125_11,7).
2169bond(d125,d125_11,d125_12,7).
2170bond(d125,d125_12,d125_13,7).
2171bond(d125,d125_13,d125_5,7).
2172bond(d125,d125_9,d125_14,7).
2173bond(d125,d125_14,d125_15,7).
2174bond(d125,d125_15,d125_16,7).
2175bond(d125,d125_16,d125_11,7).
2176bond(d125,d125_15,d125_17,1).
2177bond(d125,d125_1,d125_18,1).
2178bond(d125,d125_2,d125_19,1).
2179bond(d125,d125_6,d125_20,1).
2180bond(d125,d125_12,d125_21,1).
2181bond(d125,d125_13,d125_22,1).
2182bond(d125,d125_14,d125_23,1).
2183bond(d125,d125_16,d125_24,1).
2184bond(d125,d125_7,d125_25,1).
2185bond(d125,d125_7,d125_26,1).
2186bond(d125,d125_8,d125_27,1).
2187bond(d125,d125_8,d125_28,1).
2188bond(d125,d125_17,d125_29,2).
2189bond(d125,d125_17,d125_30,2).
2190atm(d126,d126_1,c,22,-0.142).
2191atm(d126,d126_2,c,22,-0.142).
2192atm(d126,d126_3,c,22,0.188).
2193atm(d126,d126_4,c,22,0.188).
2194atm(d126,d126_5,c,22,-0.142).
2195atm(d126,d126_6,c,22,-0.142).
2196atm(d126,d126_7,h,3,0.118).
2197atm(d126,d126_8,h,3,0.118).
2198atm(d126,d126_9,h,3,0.118).
2199atm(d126,d126_10,n,32,-0.412).
2200atm(d126,d126_11,c,22,0.188).
2201atm(d126,d126_12,c,22,0.188).
2202atm(d126,d126_13,n,32,-0.412).
2203atm(d126,d126_14,c,22,-0.142).
2204atm(d126,d126_15,c,22,-0.142).
2205atm(d126,d126_16,c,22,-0.142).
2206atm(d126,d126_17,c,22,-0.142).
2207atm(d126,d126_18,h,3,0.118).
2208atm(d126,d126_19,h,3,0.118).
2209atm(d126,d126_20,h,3,0.118).
2210atm(d126,d126_21,h,1,0.288).
2211atm(d126,d126_22,h,1,0.288).
2212atm(d126,d126_23,n,38,0.787).
2213atm(d126,d126_24,n,38,0.787).
2214atm(d126,d126_25,o,40,-0.413).
2215atm(d126,d126_26,o,40,-0.413).
2216atm(d126,d126_27,o,40,-0.412).
2217atm(d126,d126_28,o,40,-0.412).
2218
2219bond(d126,d126_1,d126_2,7).
2220bond(d126,d126_2,d126_3,7).
2221bond(d126,d126_3,d126_4,7).
2222bond(d126,d126_4,d126_5,7).
2223bond(d126,d126_5,d126_6,7).
2224bond(d126,d126_6,d126_1,7).
2225bond(d126,d126_2,d126_7,1).
2226bond(d126,d126_5,d126_8,1).
2227bond(d126,d126_6,d126_9,1).
2228bond(d126,d126_3,d126_10,1).
2229bond(d126,d126_10,d126_11,1).
2230bond(d126,d126_11,d126_12,7).
2231bond(d126,d126_12,d126_13,1).
2232bond(d126,d126_13,d126_4,1).
2233bond(d126,d126_11,d126_14,7).
2234bond(d126,d126_14,d126_15,7).
2235bond(d126,d126_15,d126_16,7).
2236bond(d126,d126_16,d126_17,7).
2237bond(d126,d126_17,d126_12,7).
2238bond(d126,d126_14,d126_18,1).
2239bond(d126,d126_15,d126_19,1).
2240bond(d126,d126_16,d126_20,1).
2241bond(d126,d126_13,d126_21,1).
2242bond(d126,d126_10,d126_22,1).
2243bond(d126,d126_17,d126_23,1).
2244bond(d126,d126_1,d126_24,1).
2245bond(d126,d126_23,d126_25,2).
2246bond(d126,d126_23,d126_26,2).
2247bond(d126,d126_24,d126_27,2).
2248bond(d126,d126_24,d126_28,2).
2249atm(d127,d127_1,c,22,-0.116).
2250atm(d127,d127_2,c,22,-0.116).
2251atm(d127,d127_3,c,22,-0.116).
2252atm(d127,d127_4,c,29,0.014).
2253atm(d127,d127_5,c,22,-0.116).
2254atm(d127,d127_6,c,22,-0.116).
2255atm(d127,d127_7,h,3,0.144).
2256atm(d127,d127_8,h,3,0.144).
2257atm(d127,d127_9,h,3,0.144).
2258atm(d127,d127_10,h,3,0.144).
2259atm(d127,d127_11,c,29,0.014).
2260atm(d127,d127_12,c,22,-0.116).
2261atm(d127,d127_13,c,22,-0.116).
2262atm(d127,d127_14,c,22,-0.116).
2263atm(d127,d127_15,c,22,-0.116).
2264atm(d127,d127_16,c,22,-0.116).
2265atm(d127,d127_17,h,3,0.144).
2266atm(d127,d127_18,h,3,0.144).
2267atm(d127,d127_19,h,3,0.144).
2268atm(d127,d127_20,n,38,0.813).
2269atm(d127,d127_21,n,38,0.813).
2270atm(d127,d127_22,n,38,0.814).
2271atm(d127,d127_23,o,40,-0.386).
2272atm(d127,d127_24,o,40,-0.386).
2273atm(d127,d127_25,o,40,-0.386).
2274atm(d127,d127_26,o,40,-0.386).
2275atm(d127,d127_27,o,40,-0.386).
2276atm(d127,d127_28,o,40,-0.386).
2277
2278bond(d127,d127_1,d127_2,7).
2279bond(d127,d127_2,d127_3,7).
2280bond(d127,d127_3,d127_4,7).
2281bond(d127,d127_4,d127_5,7).
2282bond(d127,d127_5,d127_6,7).
2283bond(d127,d127_6,d127_1,7).
2284bond(d127,d127_1,d127_7,1).
2285bond(d127,d127_2,d127_8,1).
2286bond(d127,d127_3,d127_9,1).
2287bond(d127,d127_5,d127_10,1).
2288bond(d127,d127_11,d127_12,7).
2289bond(d127,d127_12,d127_13,7).
2290bond(d127,d127_13,d127_14,7).
2291bond(d127,d127_14,d127_15,7).
2292bond(d127,d127_15,d127_16,7).
2293bond(d127,d127_16,d127_11,7).
2294bond(d127,d127_12,d127_17,1).
2295bond(d127,d127_13,d127_18,1).
2296bond(d127,d127_16,d127_19,1).
2297bond(d127,d127_4,d127_11,1).
2298bond(d127,d127_15,d127_20,1).
2299bond(d127,d127_6,d127_21,1).
2300bond(d127,d127_14,d127_22,1).
2301bond(d127,d127_20,d127_23,2).
2302bond(d127,d127_20,d127_24,2).
2303bond(d127,d127_22,d127_25,2).
2304bond(d127,d127_22,d127_26,2).
2305bond(d127,d127_21,d127_27,2).
2306bond(d127,d127_21,d127_28,2).
2307atm(d128,d128_1,c,22,-0.11).
2308atm(d128,d128_2,c,22,-0.11).
2309atm(d128,d128_3,c,27,0.02).
2310atm(d128,d128_4,c,27,-0.08).
2311atm(d128,d128_5,c,26,-0.08).
2312atm(d128,d128_6,c,22,-0.11).
2313atm(d128,d128_7,c,22,-0.11).
2314atm(d128,d128_8,c,22,-0.11).
2315atm(d128,d128_9,c,22,-0.11).
2316atm(d128,d128_10,c,26,-0.08).
2317atm(d128,d128_11,c,21,-0.08).
2318atm(d128,d128_12,c,21,-0.08).
2319atm(d128,d128_13,h,3,0.149).
2320atm(d128,d128_14,h,3,0.149).
2321atm(d128,d128_15,h,3,0.149).
2322atm(d128,d128_16,h,3,0.149).
2323atm(d128,d128_17,h,3,0.149).
2324atm(d128,d128_18,h,3,0.119).
2325atm(d128,d128_19,h,3,0.119).
2326atm(d128,d128_20,n,38,0.819).
2327atm(d128,d128_21,o,40,-0.381).
2328atm(d128,d128_22,o,40,-0.381).
2329
2330bond(d128,d128_1,d128_2,7).
2331bond(d128,d128_2,d128_3,7).
2332bond(d128,d128_3,d128_4,7).
2333bond(d128,d128_4,d128_5,7).
2334bond(d128,d128_5,d128_6,7).
2335bond(d128,d128_6,d128_1,7).
2336bond(d128,d128_3,d128_7,7).
2337bond(d128,d128_7,d128_8,7).
2338bond(d128,d128_8,d128_9,7).
2339bond(d128,d128_9,d128_10,7).
2340bond(d128,d128_10,d128_4,7).
2341bond(d128,d128_5,d128_11,7).
2342bond(d128,d128_10,d128_12,7).
2343bond(d128,d128_11,d128_12,7).
2344bond(d128,d128_1,d128_13,1).
2345bond(d128,d128_2,d128_14,1).
2346bond(d128,d128_6,d128_15,1).
2347bond(d128,d128_8,d128_16,1).
2348bond(d128,d128_9,d128_17,1).
2349bond(d128,d128_11,d128_18,1).
2350bond(d128,d128_12,d128_19,1).
2351bond(d128,d128_7,d128_20,1).
2352bond(d128,d128_20,d128_21,2).
2353bond(d128,d128_20,d128_22,2).
2354atm(d129,d129_1,c,22,-0.122).
2355atm(d129,d129_2,c,22,-0.122).
2356atm(d129,d129_3,c,22,-0.122).
2357atm(d129,d129_4,c,22,-0.122).
2358atm(d129,d129_5,c,22,0.208).
2359atm(d129,d129_6,c,22,-0.122).
2360atm(d129,d129_7,h,3,0.138).
2361atm(d129,d129_8,h,3,0.138).
2362atm(d129,d129_9,h,3,0.138).
2363atm(d129,d129_10,n,32,-0.392).
2364atm(d129,d129_11,n,36,-0.292).
2365atm(d129,d129_12,h,1,0.308).
2366atm(d129,d129_13,h,1,0.158).
2367atm(d129,d129_14,h,1,0.158).
2368atm(d129,d129_15,n,38,0.808).
2369atm(d129,d129_16,n,38,0.808).
2370atm(d129,d129_17,o,40,-0.392).
2371atm(d129,d129_18,o,40,-0.392).
2372atm(d129,d129_19,o,40,-0.392).
2373atm(d129,d129_20,o,40,-0.392).
2374
2375bond(d129,d129_1,d129_2,7).
2376bond(d129,d129_2,d129_3,7).
2377bond(d129,d129_3,d129_4,7).
2378bond(d129,d129_4,d129_5,7).
2379bond(d129,d129_5,d129_6,7).
2380bond(d129,d129_6,d129_1,7).
2381bond(d129,d129_1,d129_7,1).
2382bond(d129,d129_3,d129_8,1).
2383bond(d129,d129_6,d129_9,1).
2384bond(d129,d129_5,d129_10,1).
2385bond(d129,d129_10,d129_11,1).
2386bond(d129,d129_10,d129_12,1).
2387bond(d129,d129_11,d129_13,1).
2388bond(d129,d129_11,d129_14,1).
2389bond(d129,d129_4,d129_15,1).
2390bond(d129,d129_2,d129_16,1).
2391bond(d129,d129_15,d129_17,2).
2392bond(d129,d129_15,d129_18,2).
2393bond(d129,d129_16,d129_19,2).
2394bond(d129,d129_16,d129_20,2).
2395atm(d13,d13_1,c,22,-0.118).
2396atm(d13,d13_2,c,22,-0.118).
2397atm(d13,d13_3,c,27,0.012).
2398atm(d13,d13_4,c,27,-0.088).
2399atm(d13,d13_5,c,28,0.012).
2400atm(d13,d13_6,c,22,-0.118).
2401atm(d13,d13_7,c,22,-0.118).
2402atm(d13,d13_8,c,22,-0.118).
2403atm(d13,d13_9,c,22,-0.118).
2404atm(d13,d13_10,c,29,0.012).
2405atm(d13,d13_11,c,22,-0.118).
2406atm(d13,d13_12,c,29,0.012).
2407atm(d13,d13_13,c,28,0.012).
2408atm(d13,d13_14,c,22,-0.118).
2409atm(d13,d13_15,c,22,-0.118).
2410atm(d13,d13_16,c,22,-0.118).
2411atm(d13,d13_17,n,38,0.812).
2412atm(d13,d13_18,n,38,0.812).
2413atm(d13,d13_19,o,40,-0.388).
2414atm(d13,d13_20,o,40,-0.388).
2415atm(d13,d13_21,o,40,-0.388).
2416atm(d13,d13_22,o,40,-0.388).
2417atm(d13,d13_23,h,3,0.142).
2418atm(d13,d13_24,h,3,0.142).
2419atm(d13,d13_25,h,3,0.142).
2420atm(d13,d13_26,h,3,0.142).
2421atm(d13,d13_27,h,3,0.142).
2422atm(d13,d13_28,h,3,0.142).
2423atm(d13,d13_29,h,3,0.142).
2424atm(d13,d13_30,h,3,0.142).
2425
2426bond(d13,d13_1,d13_2,7).
2427bond(d13,d13_2,d13_3,7).
2428bond(d13,d13_3,d13_4,7).
2429bond(d13,d13_4,d13_5,7).
2430bond(d13,d13_5,d13_6,7).
2431bond(d13,d13_6,d13_1,7).
2432bond(d13,d13_3,d13_7,7).
2433bond(d13,d13_7,d13_8,7).
2434bond(d13,d13_8,d13_9,7).
2435bond(d13,d13_9,d13_10,7).
2436bond(d13,d13_10,d13_4,7).
2437bond(d13,d13_11,d13_12,7).
2438bond(d13,d13_12,d13_13,7).
2439bond(d13,d13_13,d13_14,7).
2440bond(d13,d13_14,d13_15,7).
2441bond(d13,d13_15,d13_16,7).
2442bond(d13,d13_16,d13_11,7).
2443bond(d13,d13_12,d13_5,1).
2444bond(d13,d13_13,d13_10,1).
2445bond(d13,d13_8,d13_17,1).
2446bond(d13,d13_2,d13_18,1).
2447bond(d13,d13_17,d13_19,2).
2448bond(d13,d13_17,d13_20,2).
2449bond(d13,d13_18,d13_21,2).
2450bond(d13,d13_18,d13_22,2).
2451bond(d13,d13_1,d13_23,1).
2452bond(d13,d13_6,d13_24,1).
2453bond(d13,d13_7,d13_25,1).
2454bond(d13,d13_9,d13_26,1).
2455bond(d13,d13_11,d13_27,1).
2456bond(d13,d13_14,d13_28,1).
2457bond(d13,d13_15,d13_29,1).
2458bond(d13,d13_16,d13_30,1).
2459atm(d130,d130_1,c,22,-0.133).
2460atm(d130,d130_2,c,22,-0.133).
2461atm(d130,d130_3,c,22,-0.133).
2462atm(d130,d130_4,c,22,-0.133).
2463atm(d130,d130_5,c,22,0.176).
2464atm(d130,d130_6,c,22,-0.134).
2465atm(d130,d130_7,h,3,0.127).
2466atm(d130,d130_8,h,3,0.127).
2467atm(d130,d130_9,h,3,0.127).
2468atm(d130,d130_10,h,3,0.127).
2469atm(d130,d130_11,o,50,-0.234).
2470atm(d130,d130_12,c,10,0.087).
2471atm(d130,d130_13,h,3,0.047).
2472atm(d130,d130_14,h,3,0.047).
2473atm(d130,d130_15,h,3,0.047).
2474atm(d130,d130_16,n,38,0.796).
2475atm(d130,d130_17,o,40,-0.404).
2476atm(d130,d130_18,o,40,-0.404).
2477
2478bond(d130,d130_1,d130_2,7).
2479bond(d130,d130_2,d130_3,7).
2480bond(d130,d130_3,d130_4,7).
2481bond(d130,d130_4,d130_5,7).
2482bond(d130,d130_5,d130_6,7).
2483bond(d130,d130_6,d130_1,7).
2484bond(d130,d130_1,d130_7,1).
2485bond(d130,d130_2,d130_8,1).
2486bond(d130,d130_3,d130_9,1).
2487bond(d130,d130_6,d130_10,1).
2488bond(d130,d130_5,d130_11,1).
2489bond(d130,d130_11,d130_12,1).
2490bond(d130,d130_12,d130_13,1).
2491bond(d130,d130_12,d130_14,1).
2492bond(d130,d130_12,d130_15,1).
2493bond(d130,d130_4,d130_16,1).
2494bond(d130,d130_16,d130_17,2).
2495bond(d130,d130_16,d130_18,2).
2496atm(d131,d131_1,c,22,-0.13).
2497atm(d131,d131_2,c,22,-0.131).
2498atm(d131,d131_3,c,22,-0.131).
2499atm(d131,d131_4,c,22,-0.131).
2500atm(d131,d131_5,c,22,0.099).
2501atm(d131,d131_6,c,22,-0.131).
2502atm(d131,d131_7,h,3,0.129).
2503atm(d131,d131_8,h,3,0.129).
2504atm(d131,d131_9,h,3,0.129).
2505atm(d131,d131_10,h,3,0.129).
2506atm(d131,d131_11,c,16,-0.2).
2507atm(d131,d131_12,c,16,0.099).
2508atm(d131,d131_13,h,3,0.099).
2509atm(d131,d131_14,o,50,-0.23).
2510atm(d131,d131_15,h,3,0.099).
2511atm(d131,d131_16,c,22,0.18).
2512atm(d131,d131_17,c,22,-0.131).
2513atm(d131,d131_18,c,22,-0.131).
2514atm(d131,d131_19,c,22,-0.131).
2515atm(d131,d131_20,c,22,-0.13).
2516atm(d131,d131_21,c,22,-0.13).
2517atm(d131,d131_22,h,3,0.129).
2518atm(d131,d131_23,h,3,0.129).
2519atm(d131,d131_24,h,3,0.129).
2520atm(d131,d131_25,h,3,0.129).
2521atm(d131,d131_26,h,3,0.129).
2522atm(d131,d131_27,n,38,0.8).
2523atm(d131,d131_28,o,40,-0.4).
2524atm(d131,d131_29,o,40,-0.4).
2525
2526bond(d131,d131_1,d131_2,7).
2527bond(d131,d131_2,d131_3,7).
2528bond(d131,d131_3,d131_4,7).
2529bond(d131,d131_4,d131_5,7).
2530bond(d131,d131_5,d131_6,7).
2531bond(d131,d131_6,d131_1,7).
2532bond(d131,d131_1,d131_7,1).
2533bond(d131,d131_3,d131_8,1).
2534bond(d131,d131_4,d131_9,1).
2535bond(d131,d131_6,d131_10,1).
2536bond(d131,d131_5,d131_11,1).
2537bond(d131,d131_11,d131_12,2).
2538bond(d131,d131_11,d131_13,1).
2539bond(d131,d131_12,d131_14,1).
2540bond(d131,d131_12,d131_15,1).
2541bond(d131,d131_14,d131_16,1).
2542bond(d131,d131_16,d131_17,7).
2543bond(d131,d131_17,d131_18,7).
2544bond(d131,d131_18,d131_19,7).
2545bond(d131,d131_19,d131_20,7).
2546bond(d131,d131_20,d131_21,7).
2547bond(d131,d131_21,d131_16,7).
2548bond(d131,d131_17,d131_22,1).
2549bond(d131,d131_18,d131_23,1).
2550bond(d131,d131_19,d131_24,1).
2551bond(d131,d131_20,d131_25,1).
2552bond(d131,d131_21,d131_26,1).
2553bond(d131,d131_2,d131_27,1).
2554bond(d131,d131_27,d131_28,2).
2555bond(d131,d131_27,d131_29,2).
2556atm(d132,d132_1,c,22,-0.122).
2557atm(d132,d132_2,c,22,-0.122).
2558atm(d132,d132_3,c,22,-0.122).
2559atm(d132,d132_4,c,22,-0.122).
2560atm(d132,d132_5,c,22,0.008).
2561atm(d132,d132_6,c,22,-0.122).
2562atm(d132,d132_7,h,3,0.138).
2563atm(d132,d132_8,h,3,0.138).
2564atm(d132,d132_9,h,3,0.138).
2565atm(d132,d132_10,h,3,0.138).
2566atm(d132,d132_11,c,14,0.238).
2567atm(d132,d132_12,o,41,-0.421).
2568atm(d132,d132_13,h,3,0.208).
2569atm(d132,d132_14,n,38,0.809).
2570atm(d132,d132_15,o,40,-0.392).
2571atm(d132,d132_16,o,40,-0.392).
2572
2573bond(d132,d132_1,d132_2,7).
2574bond(d132,d132_2,d132_3,7).
2575bond(d132,d132_3,d132_4,7).
2576bond(d132,d132_4,d132_5,7).
2577bond(d132,d132_5,d132_6,7).
2578bond(d132,d132_6,d132_1,7).
2579bond(d132,d132_1,d132_7,1).
2580bond(d132,d132_2,d132_8,1).
2581bond(d132,d132_3,d132_9,1).
2582bond(d132,d132_6,d132_10,1).
2583bond(d132,d132_5,d132_11,1).
2584bond(d132,d132_11,d132_12,2).
2585bond(d132,d132_11,d132_13,1).
2586bond(d132,d132_4,d132_14,1).
2587bond(d132,d132_14,d132_15,2).
2588bond(d132,d132_14,d132_16,2).
2589atm(d133,d133_1,c,22,-0.08).
2590atm(d133,d133_2,c,22,-0.08).
2591atm(d133,d133_3,c,22,0.229).
2592atm(d133,d133_4,c,22,0.229).
2593atm(d133,d133_5,c,22,-0.08).
2594atm(d133,d133_6,c,22,-0.08).
2595atm(d133,d133_7,h,3,0.179).
2596atm(d133,d133_8,h,3,0.179).
2597atm(d133,d133_9,o,50,-0.181).
2598atm(d133,d133_10,c,22,0.229).
2599atm(d133,d133_11,c,22,0.229).
2600atm(d133,d133_12,o,50,-0.18).
2601atm(d133,d133_13,c,22,-0.08).
2602atm(d133,d133_14,c,22,-0.08).
2603atm(d133,d133_15,c,22,-0.08).
2604atm(d133,d133_16,c,22,-0.08).
2605atm(d133,d133_17,h,3,0.18).
2606atm(d133,d133_18,n,38,0.849).
2607atm(d133,d133_19,cl,93,-0.15).
2608atm(d133,d133_20,cl,93,-0.15).
2609atm(d133,d133_21,cl,93,-0.15).
2610atm(d133,d133_22,cl,93,-0.15).
2611atm(d133,d133_23,o,40,-0.351).
2612atm(d133,d133_24,o,40,-0.351).
2613
2614bond(d133,d133_1,d133_2,7).
2615bond(d133,d133_2,d133_3,7).
2616bond(d133,d133_3,d133_4,7).
2617bond(d133,d133_4,d133_5,7).
2618bond(d133,d133_5,d133_6,7).
2619bond(d133,d133_6,d133_1,7).
2620bond(d133,d133_2,d133_7,1).
2621bond(d133,d133_5,d133_8,1).
2622bond(d133,d133_3,d133_9,1).
2623bond(d133,d133_9,d133_10,1).
2624bond(d133,d133_10,d133_11,7).
2625bond(d133,d133_11,d133_12,1).
2626bond(d133,d133_12,d133_4,1).
2627bond(d133,d133_10,d133_13,7).
2628bond(d133,d133_13,d133_14,7).
2629bond(d133,d133_14,d133_15,7).
2630bond(d133,d133_15,d133_16,7).
2631bond(d133,d133_16,d133_11,7).
2632bond(d133,d133_13,d133_17,1).
2633bond(d133,d133_15,d133_18,1).
2634bond(d133,d133_16,d133_19,1).
2635bond(d133,d133_14,d133_20,1).
2636bond(d133,d133_1,d133_21,1).
2637bond(d133,d133_6,d133_22,1).
2638bond(d133,d133_18,d133_23,2).
2639bond(d133,d133_18,d133_24,2).
2640atm(d134,d134_1,c,22,-0.116).
2641atm(d134,d134_2,c,22,-0.116).
2642atm(d134,d134_3,c,22,0.014).
2643atm(d134,d134_4,c,195,-0.086).
2644atm(d134,d134_5,c,195,0.014).
2645atm(d134,d134_6,c,22,-0.116).
2646atm(d134,d134_7,c,10,-0.086).
2647atm(d134,d134_8,c,10,-0.086).
2648atm(d134,d134_9,c,22,0.014).
2649atm(d134,d134_10,c,27,-0.086).
2650atm(d134,d134_11,c,27,0.014).
2651atm(d134,d134_12,c,22,-0.116).
2652atm(d134,d134_13,c,22,-0.116).
2653atm(d134,d134_14,c,22,-0.116).
2654atm(d134,d134_15,c,22,-0.116).
2655atm(d134,d134_16,c,22,-0.116).
2656atm(d134,d134_17,h,3,0.145).
2657atm(d134,d134_18,h,3,0.145).
2658atm(d134,d134_19,h,3,0.145).
2659atm(d134,d134_20,h,3,0.145).
2660atm(d134,d134_21,h,3,0.145).
2661atm(d134,d134_22,h,3,0.145).
2662atm(d134,d134_23,h,3,0.064).
2663atm(d134,d134_24,h,3,0.064).
2664atm(d134,d134_25,h,3,0.064).
2665atm(d134,d134_26,h,3,0.064).
2666atm(d134,d134_27,n,38,0.815).
2667atm(d134,d134_28,n,38,0.815).
2668atm(d134,d134_29,o,40,-0.385).
2669atm(d134,d134_30,o,40,-0.385).
2670atm(d134,d134_31,o,40,-0.385).
2671atm(d134,d134_32,o,40,-0.385).
2672
2673bond(d134,d134_1,d134_2,7).
2674bond(d134,d134_2,d134_3,7).
2675bond(d134,d134_3,d134_4,7).
2676bond(d134,d134_4,d134_5,7).
2677bond(d134,d134_5,d134_6,7).
2678bond(d134,d134_6,d134_1,7).
2679bond(d134,d134_3,d134_7,1).
2680bond(d134,d134_7,d134_8,1).
2681bond(d134,d134_8,d134_9,1).
2682bond(d134,d134_9,d134_10,7).
2683bond(d134,d134_10,d134_4,7).
2684bond(d134,d134_10,d134_11,7).
2685bond(d134,d134_11,d134_12,7).
2686bond(d134,d134_12,d134_13,7).
2687bond(d134,d134_13,d134_5,7).
2688bond(d134,d134_9,d134_14,7).
2689bond(d134,d134_14,d134_15,7).
2690bond(d134,d134_15,d134_16,7).
2691bond(d134,d134_16,d134_11,7).
2692bond(d134,d134_2,d134_17,1).
2693bond(d134,d134_6,d134_18,1).
2694bond(d134,d134_12,d134_19,1).
2695bond(d134,d134_13,d134_20,1).
2696bond(d134,d134_14,d134_21,1).
2697bond(d134,d134_16,d134_22,1).
2698bond(d134,d134_7,d134_23,1).
2699bond(d134,d134_7,d134_24,1).
2700bond(d134,d134_8,d134_25,1).
2701bond(d134,d134_8,d134_26,1).
2702bond(d134,d134_27,d134_15,1).
2703bond(d134,d134_1,d134_28,1).
2704bond(d134,d134_27,d134_29,2).
2705bond(d134,d134_27,d134_30,2).
2706bond(d134,d134_28,d134_31,2).
2707bond(d134,d134_28,d134_32,2).
2708atm(d135,d135_1,c,22,-0.097).
2709atm(d135,d135_2,c,22,0.333).
2710atm(d135,d135_3,c,22,-0.097).
2711atm(d135,d135_4,c,22,-0.097).
2712atm(d135,d135_5,c,22,-0.097).
2713atm(d135,d135_6,c,22,-0.097).
2714atm(d135,d135_7,h,3,0.163).
2715atm(d135,d135_8,h,3,0.163).
2716atm(d135,d135_9,h,3,0.163).
2717atm(d135,d135_10,n,38,0.832).
2718atm(d135,d135_11,o,40,-0.367).
2719atm(d135,d135_12,o,40,-0.368).
2720atm(d135,d135_13,cl,93,-0.167).
2721atm(d135,d135_14,f,92,-0.267).
2722
2723bond(d135,d135_1,d135_2,7).
2724bond(d135,d135_2,d135_3,7).
2725bond(d135,d135_3,d135_4,7).
2726bond(d135,d135_4,d135_5,7).
2727bond(d135,d135_5,d135_6,7).
2728bond(d135,d135_6,d135_1,7).
2729bond(d135,d135_1,d135_7,1).
2730bond(d135,d135_4,d135_8,1).
2731bond(d135,d135_6,d135_9,1).
2732bond(d135,d135_5,d135_10,1).
2733bond(d135,d135_10,d135_11,2).
2734bond(d135,d135_10,d135_12,2).
2735bond(d135,d135_3,d135_13,1).
2736bond(d135,d135_2,d135_14,1).
2737atm(d136,d136_1,c,22,-0.119).
2738atm(d136,d136_2,c,22,-0.119).
2739atm(d136,d136_3,c,27,0.011).
2740atm(d136,d136_4,c,27,-0.089).
2741atm(d136,d136_5,c,27,0.011).
2742atm(d136,d136_6,c,22,-0.119).
2743atm(d136,d136_7,h,3,0.141).
2744atm(d136,d136_8,h,3,0.142).
2745atm(d136,d136_9,h,3,0.142).
2746atm(d136,d136_10,c,22,-0.119).
2747atm(d136,d136_11,c,22,-0.119).
2748atm(d136,d136_12,c,27,0.011).
2749atm(d136,d136_13,c,27,-0.089).
2750atm(d136,d136_14,h,3,0.141).
2751atm(d136,d136_15,h,3,0.142).
2752atm(d136,d136_16,c,27,0.011).
2753atm(d136,d136_17,c,22,-0.119).
2754atm(d136,d136_18,c,22,-0.119).
2755atm(d136,d136_19,h,3,0.141).
2756atm(d136,d136_20,h,3,0.142).
2757atm(d136,d136_21,c,22,-0.119).
2758atm(d136,d136_22,c,22,-0.119).
2759atm(d136,d136_23,c,22,0.262).
2760atm(d136,d136_24,h,3,0.142).
2761atm(d136,d136_25,o,45,-0.638).
2762atm(d136,d136_26,n,38,0.812).
2763atm(d136,d136_27,o,40,-0.388).
2764atm(d136,d136_28,o,40,-0.388).
2765atm(d136,d136_29,h,8,0.412).
2766
2767bond(d136,d136_1,d136_2,7).
2768bond(d136,d136_2,d136_3,7).
2769bond(d136,d136_3,d136_4,7).
2770bond(d136,d136_4,d136_5,7).
2771bond(d136,d136_5,d136_6,7).
2772bond(d136,d136_6,d136_1,7).
2773bond(d136,d136_1,d136_7,1).
2774bond(d136,d136_2,d136_8,1).
2775bond(d136,d136_6,d136_9,1).
2776bond(d136,d136_3,d136_10,7).
2777bond(d136,d136_10,d136_11,7).
2778bond(d136,d136_11,d136_12,7).
2779bond(d136,d136_12,d136_13,7).
2780bond(d136,d136_13,d136_4,7).
2781bond(d136,d136_10,d136_14,1).
2782bond(d136,d136_11,d136_15,1).
2783bond(d136,d136_13,d136_16,7).
2784bond(d136,d136_16,d136_17,7).
2785bond(d136,d136_17,d136_18,7).
2786bond(d136,d136_18,d136_5,7).
2787bond(d136,d136_17,d136_19,1).
2788bond(d136,d136_18,d136_20,1).
2789bond(d136,d136_12,d136_21,7).
2790bond(d136,d136_21,d136_22,7).
2791bond(d136,d136_22,d136_23,7).
2792bond(d136,d136_23,d136_16,7).
2793bond(d136,d136_22,d136_24,1).
2794bond(d136,d136_23,d136_25,1).
2795bond(d136,d136_21,d136_26,1).
2796bond(d136,d136_26,d136_27,2).
2797bond(d136,d136_26,d136_28,2).
2798bond(d136,d136_25,d136_29,1).
2799atm(d137,d137_1,c,22,-0.118).
2800atm(d137,d137_2,c,22,-0.118).
2801atm(d137,d137_3,c,27,0.012).
2802atm(d137,d137_4,c,27,-0.088).
2803atm(d137,d137_5,c,28,0.012).
2804atm(d137,d137_6,c,22,-0.118).
2805atm(d137,d137_7,h,3,0.142).
2806atm(d137,d137_8,h,3,0.142).
2807atm(d137,d137_9,h,3,0.142).
2808atm(d137,d137_10,c,22,-0.118).
2809atm(d137,d137_11,c,22,-0.118).
2810atm(d137,d137_12,c,22,-0.118).
2811atm(d137,d137_13,c,29,0.012).
2812atm(d137,d137_14,h,3,0.142).
2813atm(d137,d137_15,c,28,0.012).
2814atm(d137,d137_16,c,28,0.012).
2815atm(d137,d137_17,c,22,-0.118).
2816atm(d137,d137_18,c,22,-0.118).
2817atm(d137,d137_19,c,22,-0.118).
2818atm(d137,d137_20,c,22,-0.118).
2819atm(d137,d137_21,h,3,0.142).
2820atm(d137,d137_22,h,3,0.142).
2821atm(d137,d137_23,h,3,0.142).
2822atm(d137,d137_24,h,3,0.142).
2823atm(d137,d137_25,n,38,0.812).
2824atm(d137,d137_26,n,38,0.812).
2825atm(d137,d137_27,o,40,-0.388).
2826atm(d137,d137_28,o,40,-0.388).
2827atm(d137,d137_29,o,40,-0.388).
2828atm(d137,d137_30,o,40,-0.388).
2829
2830bond(d137,d137_1,d137_2,7).
2831bond(d137,d137_2,d137_3,7).
2832bond(d137,d137_3,d137_4,7).
2833bond(d137,d137_4,d137_5,7).
2834bond(d137,d137_5,d137_6,7).
2835bond(d137,d137_6,d137_1,7).
2836bond(d137,d137_1,d137_7,1).
2837bond(d137,d137_2,d137_8,1).
2838bond(d137,d137_6,d137_9,1).
2839bond(d137,d137_3,d137_10,7).
2840bond(d137,d137_10,d137_11,7).
2841bond(d137,d137_11,d137_12,7).
2842bond(d137,d137_12,d137_13,7).
2843bond(d137,d137_13,d137_4,7).
2844bond(d137,d137_12,d137_14,1).
2845bond(d137,d137_15,d137_16,7).
2846bond(d137,d137_16,d137_17,7).
2847bond(d137,d137_17,d137_18,7).
2848bond(d137,d137_18,d137_19,7).
2849bond(d137,d137_19,d137_20,7).
2850bond(d137,d137_20,d137_15,7).
2851bond(d137,d137_17,d137_21,1).
2852bond(d137,d137_18,d137_22,1).
2853bond(d137,d137_19,d137_23,1).
2854bond(d137,d137_20,d137_24,1).
2855bond(d137,d137_15,d137_5,1).
2856bond(d137,d137_16,d137_13,1).
2857bond(d137,d137_11,d137_25,1).
2858bond(d137,d137_10,d137_26,1).
2859bond(d137,d137_25,d137_27,2).
2860bond(d137,d137_25,d137_28,2).
2861bond(d137,d137_26,d137_29,2).
2862bond(d137,d137_26,d137_30,2).
2863atm(d138,d138_1,c,22,-0.122).
2864atm(d138,d138_2,c,22,-0.122).
2865atm(d138,d138_3,c,26,0.307).
2866atm(d138,d138_4,c,26,0.108).
2867atm(d138,d138_5,c,22,-0.122).
2868atm(d138,d138_6,c,22,-0.122).
2869atm(d138,d138_7,n,34,-0.393).
2870atm(d138,d138_8,n,34,-0.533).
2871atm(d138,d138_9,c,21,-0.122).
2872atm(d138,d138_10,c,10,0.098).
2873atm(d138,d138_11,n,38,0.807).
2874atm(d138,d138_12,o,40,-0.393).
2875atm(d138,d138_13,o,40,-0.393).
2876atm(d138,d138_14,h,3,0.137).
2877atm(d138,d138_15,h,3,0.108).
2878atm(d138,d138_16,h,3,0.138).
2879atm(d138,d138_17,h,3,0.138).
2880atm(d138,d138_18,h,3,0.058).
2881atm(d138,d138_19,h,3,0.058).
2882atm(d138,d138_20,h,3,0.058).
2883atm(d138,d138_21,h,1,0.307).
2884
2885bond(d138,d138_1,d138_2,7).
2886bond(d138,d138_2,d138_3,7).
2887bond(d138,d138_3,d138_4,7).
2888bond(d138,d138_4,d138_5,7).
2889bond(d138,d138_5,d138_6,7).
2890bond(d138,d138_6,d138_1,7).
2891bond(d138,d138_3,d138_7,7).
2892bond(d138,d138_7,d138_8,7).
2893bond(d138,d138_4,d138_9,7).
2894bond(d138,d138_9,d138_8,7).
2895bond(d138,d138_8,d138_10,1).
2896bond(d138,d138_1,d138_11,1).
2897bond(d138,d138_11,d138_12,2).
2898bond(d138,d138_11,d138_13,2).
2899bond(d138,d138_2,d138_14,1).
2900bond(d138,d138_5,d138_15,1).
2901bond(d138,d138_6,d138_16,1).
2902bond(d138,d138_9,d138_17,1).
2903bond(d138,d138_10,d138_18,1).
2904bond(d138,d138_10,d138_19,1).
2905bond(d138,d138_10,d138_20,1).
2906bond(d138,d138_7,d138_21,1).
2907atm(d139,d139_1,c,22,-0.106).
2908atm(d139,d139_2,c,22,-0.106).
2909atm(d139,d139_3,c,22,-0.106).
2910atm(d139,d139_4,c,22,-0.106).
2911atm(d139,d139_5,c,22,0.224).
2912atm(d139,d139_6,c,22,-0.106).
2913atm(d139,d139_7,h,3,0.154).
2914atm(d139,d139_8,h,3,0.154).
2915atm(d139,d139_9,h,3,0.154).
2916atm(d139,d139_10,n,32,-0.757).
2917atm(d139,d139_11,h,1,0.354).
2918atm(d139,d139_12,h,1,0.354).
2919atm(d139,d139_13,n,38,0.823).
2920atm(d139,d139_14,cl,93,-0.176).
2921atm(d139,d139_15,o,40,-0.377).
2922atm(d139,d139_16,o,40,-0.377).
2923
2924bond(d139,d139_1,d139_2,7).
2925bond(d139,d139_2,d139_3,7).
2926bond(d139,d139_3,d139_4,7).
2927bond(d139,d139_4,d139_5,7).
2928bond(d139,d139_5,d139_6,7).
2929bond(d139,d139_6,d139_1,7).
2930bond(d139,d139_1,d139_7,1).
2931bond(d139,d139_3,d139_8,1).
2932bond(d139,d139_6,d139_9,1).
2933bond(d139,d139_5,d139_10,1).
2934bond(d139,d139_10,d139_11,1).
2935bond(d139,d139_10,d139_12,1).
2936bond(d139,d139_4,d139_13,1).
2937bond(d139,d139_2,d139_14,1).
2938bond(d139,d139_13,d139_15,2).
2939bond(d139,d139_13,d139_16,2).
2940atm(d14,d14_1,c,22,-0.107).
2941atm(d14,d14_2,c,22,-0.107).
2942atm(d14,d14_3,c,26,0.323).
2943atm(d14,d14_4,c,26,0.123).
2944atm(d14,d14_5,c,22,-0.107).
2945atm(d14,d14_6,c,22,-0.107).
2946atm(d14,d14_7,c,21,-0.107).
2947atm(d14,d14_8,n,34,-0.377).
2948atm(d14,d14_9,n,34,-0.517).
2949atm(d14,d14_10,c,10,0.113).
2950atm(d14,d14_11,n,38,0.823).
2951atm(d14,d14_12,o,40,-0.377).
2952atm(d14,d14_13,o,40,-0.377).
2953atm(d14,d14_14,h,3,0.153).
2954atm(d14,d14_15,h,3,0.123).
2955atm(d14,d14_16,h,3,0.153).
2956atm(d14,d14_17,h,3,0.153).
2957atm(d14,d14_18,h,3,0.073).
2958atm(d14,d14_19,h,3,0.073).
2959atm(d14,d14_20,h,3,0.073).
2960
2961bond(d14,d14_1,d14_2,7).
2962bond(d14,d14_2,d14_3,7).
2963bond(d14,d14_3,d14_4,7).
2964bond(d14,d14_4,d14_5,7).
2965bond(d14,d14_5,d14_6,7).
2966bond(d14,d14_6,d14_1,7).
2967bond(d14,d14_4,d14_7,7).
2968bond(d14,d14_7,d14_8,7).
2969bond(d14,d14_8,d14_9,7).
2970bond(d14,d14_9,d14_3,7).
2971bond(d14,d14_9,d14_10,1).
2972bond(d14,d14_1,d14_11,1).
2973bond(d14,d14_12,d14_11,2).
2974bond(d14,d14_11,d14_13,2).
2975bond(d14,d14_2,d14_14,1).
2976bond(d14,d14_5,d14_15,1).
2977bond(d14,d14_6,d14_16,1).
2978bond(d14,d14_7,d14_17,1).
2979bond(d14,d14_10,d14_18,1).
2980bond(d14,d14_10,d14_19,1).
2981bond(d14,d14_10,d14_20,1).
2982atm(d140,d140_1,c,22,-0.118).
2983atm(d140,d140_2,c,22,-0.118).
2984atm(d140,d140_3,c,27,0.012).
2985atm(d140,d140_4,c,27,0.012).
2986atm(d140,d140_5,c,22,-0.118).
2987atm(d140,d140_6,c,22,-0.118).
2988atm(d140,d140_7,h,3,0.142).
2989atm(d140,d140_8,h,3,0.142).
2990atm(d140,d140_9,h,3,0.142).
2991atm(d140,d140_10,c,22,-0.118).
2992atm(d140,d140_11,c,22,-0.118).
2993atm(d140,d140_12,c,22,-0.118).
2994atm(d140,d140_13,c,22,-0.118).
2995atm(d140,d140_14,h,3,0.142).
2996atm(d140,d140_15,h,3,0.142).
2997atm(d140,d140_16,h,3,0.142).
2998atm(d140,d140_17,n,38,0.811).
2999atm(d140,d140_18,n,38,0.811).
3000atm(d140,d140_19,o,40,-0.389).
3001atm(d140,d140_20,o,40,-0.389).
3002atm(d140,d140_21,o,40,-0.388).
3003atm(d140,d140_22,o,40,-0.388).
3004
3005bond(d140,d140_1,d140_2,7).
3006bond(d140,d140_2,d140_3,7).
3007bond(d140,d140_3,d140_4,7).
3008bond(d140,d140_4,d140_5,7).
3009bond(d140,d140_5,d140_6,7).
3010bond(d140,d140_6,d140_1,7).
3011bond(d140,d140_1,d140_7,1).
3012bond(d140,d140_2,d140_8,1).
3013bond(d140,d140_6,d140_9,1).
3014bond(d140,d140_3,d140_10,7).
3015bond(d140,d140_10,d140_11,7).
3016bond(d140,d140_11,d140_12,7).
3017bond(d140,d140_12,d140_13,7).
3018bond(d140,d140_13,d140_4,7).
3019bond(d140,d140_10,d140_14,1).
3020bond(d140,d140_11,d140_15,1).
3021bond(d140,d140_12,d140_16,1).
3022bond(d140,d140_13,d140_17,1).
3023bond(d140,d140_5,d140_18,1).
3024bond(d140,d140_18,d140_19,2).
3025bond(d140,d140_18,d140_20,2).
3026bond(d140,d140_17,d140_21,2).
3027bond(d140,d140_17,d140_22,2).
3028atm(d141,d141_1,c,22,-0.074).
3029atm(d141,d141_2,c,22,-0.074).
3030atm(d141,d141_3,c,22,-0.074).
3031atm(d141,d141_4,c,22,-0.074).
3032atm(d141,d141_5,c,22,-0.074).
3033atm(d141,d141_6,c,22,-0.074).
3034atm(d141,d141_7,h,3,0.187).
3035atm(d141,d141_8,h,3,0.187).
3036atm(d141,d141_9,h,3,0.187).
3037atm(d141,d141_10,n,38,0.857).
3038atm(d141,d141_11,cl,93,-0.144).
3039atm(d141,d141_12,cl,93,-0.144).
3040atm(d141,d141_13,o,40,-0.343).
3041atm(d141,d141_14,o,40,-0.343).
3042
3043bond(d141,d141_1,d141_2,7).
3044bond(d141,d141_2,d141_3,7).
3045bond(d141,d141_3,d141_4,7).
3046bond(d141,d141_4,d141_5,7).
3047bond(d141,d141_5,d141_6,7).
3048bond(d141,d141_6,d141_1,7).
3049bond(d141,d141_1,d141_7,1).
3050bond(d141,d141_2,d141_8,1).
3051bond(d141,d141_6,d141_9,1).
3052bond(d141,d141_5,d141_10,1).
3053bond(d141,d141_4,d141_11,1).
3054bond(d141,d141_3,d141_12,1).
3055bond(d141,d141_10,d141_13,2).
3056bond(d141,d141_10,d141_14,2).
3057atm(d142,d142_1,c,22,-0.094).
3058atm(d142,d142_2,c,22,-0.094).
3059atm(d142,d142_3,c,22,0.216).
3060atm(d142,d142_4,c,22,0.216).
3061atm(d142,d142_5,c,22,-0.094).
3062atm(d142,d142_6,c,22,-0.094).
3063atm(d142,d142_7,h,3,0.166).
3064atm(d142,d142_8,h,3,0.166).
3065atm(d142,d142_9,o,50,-0.194).
3066atm(d142,d142_10,c,22,0.216).
3067atm(d142,d142_11,c,22,0.215).
3068atm(d142,d142_12,o,50,-0.194).
3069atm(d142,d142_13,c,22,-0.094).
3070atm(d142,d142_14,c,22,-0.094).
3071atm(d142,d142_15,c,22,-0.094).
3072atm(d142,d142_16,c,22,-0.094).
3073atm(d142,d142_17,h,3,0.166).
3074atm(d142,d142_18,h,3,0.166).
3075atm(d142,d142_19,n,38,0.835).
3076atm(d142,d142_20,o,40,-0.365).
3077atm(d142,d142_21,o,40,-0.365).
3078atm(d142,d142_22,cl,93,-0.164).
3079atm(d142,d142_23,cl,93,-0.164).
3080atm(d142,d142_24,cl,93,-0.164).
3081
3082bond(d142,d142_1,d142_2,7).
3083bond(d142,d142_2,d142_3,7).
3084bond(d142,d142_3,d142_4,7).
3085bond(d142,d142_4,d142_5,7).
3086bond(d142,d142_5,d142_6,7).
3087bond(d142,d142_6,d142_1,7).
3088bond(d142,d142_2,d142_7,1).
3089bond(d142,d142_5,d142_8,1).
3090bond(d142,d142_3,d142_9,1).
3091bond(d142,d142_9,d142_10,1).
3092bond(d142,d142_10,d142_11,7).
3093bond(d142,d142_11,d142_12,1).
3094bond(d142,d142_12,d142_4,1).
3095bond(d142,d142_10,d142_13,7).
3096bond(d142,d142_13,d142_14,7).
3097bond(d142,d142_14,d142_15,7).
3098bond(d142,d142_15,d142_16,7).
3099bond(d142,d142_16,d142_11,7).
3100bond(d142,d142_13,d142_17,1).
3101bond(d142,d142_16,d142_18,1).
3102bond(d142,d142_6,d142_19,1).
3103bond(d142,d142_19,d142_20,2).
3104bond(d142,d142_19,d142_21,2).
3105bond(d142,d142_15,d142_22,1).
3106bond(d142,d142_14,d142_23,1).
3107bond(d142,d142_1,d142_24,1).
3108atm(d143,d143_1,c,22,-0.13).
3109atm(d143,d143_2,c,22,-0.13).
3110atm(d143,d143_3,c,22,-0.13).
3111atm(d143,d143_4,c,22,-0.13).
3112atm(d143,d143_5,c,22,0.18).
3113atm(d143,d143_6,c,22,-0.13).
3114atm(d143,d143_7,h,3,0.13).
3115atm(d143,d143_8,h,3,0.13).
3116atm(d143,d143_9,h,3,0.13).
3117atm(d143,d143_10,h,3,0.13).
3118atm(d143,d143_11,o,50,-0.23).
3119atm(d143,d143_12,c,22,0.18).
3120atm(d143,d143_13,c,22,-0.13).
3121atm(d143,d143_14,c,22,-0.13).
3122atm(d143,d143_15,c,22,-0.13).
3123atm(d143,d143_16,c,22,-0.13).
3124atm(d143,d143_17,c,22,-0.13).
3125atm(d143,d143_18,h,3,0.13).
3126atm(d143,d143_19,h,3,0.13).
3127atm(d143,d143_20,h,3,0.13).
3128atm(d143,d143_21,h,3,0.13).
3129atm(d143,d143_22,h,3,0.13).
3130atm(d143,d143_23,n,38,0.8).
3131atm(d143,d143_24,o,40,-0.4).
3132atm(d143,d143_25,o,40,-0.4).
3133
3134bond(d143,d143_1,d143_2,7).
3135bond(d143,d143_2,d143_3,7).
3136bond(d143,d143_3,d143_4,7).
3137bond(d143,d143_4,d143_5,7).
3138bond(d143,d143_5,d143_6,7).
3139bond(d143,d143_6,d143_1,7).
3140bond(d143,d143_1,d143_7,1).
3141bond(d143,d143_2,d143_8,1).
3142bond(d143,d143_3,d143_9,1).
3143bond(d143,d143_6,d143_10,1).
3144bond(d143,d143_5,d143_11,1).
3145bond(d143,d143_11,d143_12,1).
3146bond(d143,d143_12,d143_13,7).
3147bond(d143,d143_13,d143_14,7).
3148bond(d143,d143_14,d143_15,7).
3149bond(d143,d143_15,d143_16,7).
3150bond(d143,d143_16,d143_17,7).
3151bond(d143,d143_17,d143_12,7).
3152bond(d143,d143_13,d143_18,1).
3153bond(d143,d143_14,d143_19,1).
3154bond(d143,d143_15,d143_20,1).
3155bond(d143,d143_16,d143_21,1).
3156bond(d143,d143_17,d143_22,1).
3157bond(d143,d143_4,d143_23,1).
3158bond(d143,d143_23,d143_24,2).
3159bond(d143,d143_23,d143_25,2).
3160atm(d144,d144_1,c,22,-0.074).
3161atm(d144,d144_2,c,22,-0.074).
3162atm(d144,d144_3,c,22,-0.074).
3163atm(d144,d144_4,c,22,-0.074).
3164atm(d144,d144_5,c,22,-0.074).
3165atm(d144,d144_6,c,22,-0.074).
3166atm(d144,d144_7,h,3,0.187).
3167atm(d144,d144_8,h,3,0.187).
3168atm(d144,d144_9,h,3,0.187).
3169atm(d144,d144_10,n,38,0.857).
3170atm(d144,d144_11,cl,93,-0.144).
3171atm(d144,d144_12,cl,93,-0.144).
3172atm(d144,d144_13,o,40,-0.343).
3173atm(d144,d144_14,o,40,-0.343).
3174
3175bond(d144,d144_1,d144_2,7).
3176bond(d144,d144_2,d144_3,7).
3177bond(d144,d144_3,d144_4,7).
3178bond(d144,d144_4,d144_5,7).
3179bond(d144,d144_5,d144_6,7).
3180bond(d144,d144_6,d144_1,7).
3181bond(d144,d144_2,d144_7,1).
3182bond(d144,d144_3,d144_8,1).
3183bond(d144,d144_6,d144_9,1).
3184bond(d144,d144_5,d144_10,1).
3185bond(d144,d144_4,d144_11,1).
3186bond(d144,d144_1,d144_12,1).
3187bond(d144,d144_10,d144_13,2).
3188bond(d144,d144_10,d144_14,2).
3189atm(d145,d145_1,c,22,-0.128).
3190atm(d145,d145_2,c,22,-0.128).
3191atm(d145,d145_3,c,22,-0.128).
3192atm(d145,d145_4,c,29,0.002).
3193atm(d145,d145_5,c,22,-0.128).
3194atm(d145,d145_6,c,22,-0.128).
3195atm(d145,d145_7,h,3,0.132).
3196atm(d145,d145_8,h,3,0.132).
3197atm(d145,d145_9,h,3,0.132).
3198atm(d145,d145_10,h,3,0.132).
3199atm(d145,d145_11,c,29,0.002).
3200atm(d145,d145_12,c,22,-0.128).
3201atm(d145,d145_13,c,22,-0.128).
3202atm(d145,d145_14,c,22,-0.128).
3203atm(d145,d145_15,c,22,0.202).
3204atm(d145,d145_16,c,22,-0.128).
3205atm(d145,d145_17,h,3,0.132).
3206atm(d145,d145_18,h,3,0.132).
3207atm(d145,d145_19,h,3,0.132).
3208atm(d145,d145_20,h,3,0.132).
3209atm(d145,d145_21,n,32,-0.779).
3210atm(d145,d145_22,n,38,0.801).
3211atm(d145,d145_23,o,40,-0.398).
3212atm(d145,d145_24,o,40,-0.398).
3213atm(d145,d145_25,h,1,0.332).
3214atm(d145,d145_26,h,1,0.332).
3215
3216bond(d145,d145_1,d145_2,7).
3217bond(d145,d145_2,d145_3,7).
3218bond(d145,d145_3,d145_4,7).
3219bond(d145,d145_4,d145_5,7).
3220bond(d145,d145_5,d145_6,7).
3221bond(d145,d145_6,d145_1,7).
3222bond(d145,d145_2,d145_7,1).
3223bond(d145,d145_3,d145_8,1).
3224bond(d145,d145_5,d145_9,1).
3225bond(d145,d145_6,d145_10,1).
3226bond(d145,d145_11,d145_12,7).
3227bond(d145,d145_12,d145_13,7).
3228bond(d145,d145_13,d145_14,7).
3229bond(d145,d145_14,d145_15,7).
3230bond(d145,d145_15,d145_16,7).
3231bond(d145,d145_16,d145_11,7).
3232bond(d145,d145_12,d145_17,1).
3233bond(d145,d145_13,d145_18,1).
3234bond(d145,d145_14,d145_19,1).
3235bond(d145,d145_16,d145_20,1).
3236bond(d145,d145_4,d145_11,1).
3237bond(d145,d145_15,d145_21,1).
3238bond(d145,d145_1,d145_22,1).
3239bond(d145,d145_22,d145_23,2).
3240bond(d145,d145_22,d145_24,2).
3241bond(d145,d145_21,d145_25,1).
3242bond(d145,d145_21,d145_26,1).
3243atm(d146,d146_1,c,22,-0.128).
3244atm(d146,d146_2,c,22,-0.128).
3245atm(d146,d146_3,c,22,-0.128).
3246atm(d146,d146_4,c,29,0.002).
3247atm(d146,d146_5,c,22,-0.128).
3248atm(d146,d146_6,c,22,-0.128).
3249atm(d146,d146_7,h,3,0.132).
3250atm(d146,d146_8,h,3,0.132).
3251atm(d146,d146_9,h,3,0.132).
3252atm(d146,d146_10,h,3,0.132).
3253atm(d146,d146_11,c,29,0.002).
3254atm(d146,d146_12,c,22,-0.128).
3255atm(d146,d146_13,c,22,-0.128).
3256atm(d146,d146_14,c,22,0.202).
3257atm(d146,d146_15,c,22,-0.128).
3258atm(d146,d146_16,c,22,-0.128).
3259atm(d146,d146_17,h,3,0.132).
3260atm(d146,d146_18,h,3,0.132).
3261atm(d146,d146_19,h,3,0.132).
3262atm(d146,d146_20,n,38,0.801).
3263atm(d146,d146_21,o,40,-0.398).
3264atm(d146,d146_22,o,40,-0.398).
3265atm(d146,d146_23,h,3,0.132).
3266atm(d146,d146_24,n,32,-0.779).
3267atm(d146,d146_25,h,1,0.332).
3268atm(d146,d146_26,h,1,0.332).
3269
3270bond(d146,d146_1,d146_2,7).
3271bond(d146,d146_2,d146_3,7).
3272bond(d146,d146_3,d146_4,7).
3273bond(d146,d146_4,d146_5,7).
3274bond(d146,d146_5,d146_6,7).
3275bond(d146,d146_6,d146_1,7).
3276bond(d146,d146_2,d146_7,1).
3277bond(d146,d146_3,d146_8,1).
3278bond(d146,d146_5,d146_9,1).
3279bond(d146,d146_6,d146_10,1).
3280bond(d146,d146_11,d146_12,7).
3281bond(d146,d146_12,d146_13,7).
3282bond(d146,d146_13,d146_14,7).
3283bond(d146,d146_14,d146_15,7).
3284bond(d146,d146_15,d146_16,7).
3285bond(d146,d146_16,d146_11,7).
3286bond(d146,d146_12,d146_17,1).
3287bond(d146,d146_13,d146_18,1).
3288bond(d146,d146_16,d146_19,1).
3289bond(d146,d146_4,d146_11,1).
3290bond(d146,d146_1,d146_20,1).
3291bond(d146,d146_20,d146_21,2).
3292bond(d146,d146_20,d146_22,2).
3293bond(d146,d146_15,d146_23,1).
3294bond(d146,d146_14,d146_24,1).
3295bond(d146,d146_24,d146_25,1).
3296bond(d146,d146_24,d146_26,1).
3297atm(d147,d147_1,c,22,-0.068).
3298atm(d147,d147_2,c,22,-0.068).
3299atm(d147,d147_3,c,26,-0.038).
3300atm(d147,d147_4,c,26,-0.038).
3301atm(d147,d147_5,c,22,-0.068).
3302atm(d147,d147_6,c,22,-0.068).
3303atm(d147,d147_7,n,34,-0.479).
3304atm(d147,d147_8,c,21,0.062).
3305atm(d147,d147_9,n,34,-0.479).
3306atm(d147,d147_10,c,10,0.152).
3307atm(d147,d147_11,n,38,0.861).
3308atm(d147,d147_12,o,40,-0.339).
3309atm(d147,d147_13,o,40,-0.339).
3310atm(d147,d147_14,h,3,0.191).
3311atm(d147,d147_15,h,3,0.191).
3312atm(d147,d147_16,h,3,0.191).
3313atm(d147,d147_17,h,3,0.112).
3314atm(d147,d147_18,h,3,0.112).
3315atm(d147,d147_19,h,3,0.112).
3316
3317bond(d147,d147_1,d147_2,7).
3318bond(d147,d147_2,d147_3,7).
3319bond(d147,d147_3,d147_4,7).
3320bond(d147,d147_4,d147_5,7).
3321bond(d147,d147_5,d147_6,7).
3322bond(d147,d147_6,d147_1,7).
3323bond(d147,d147_3,d147_7,7).
3324bond(d147,d147_7,d147_8,7).
3325bond(d147,d147_4,d147_9,7).
3326bond(d147,d147_9,d147_8,7).
3327bond(d147,d147_8,d147_10,1).
3328bond(d147,d147_6,d147_11,1).
3329bond(d147,d147_11,d147_12,2).
3330bond(d147,d147_11,d147_13,2).
3331bond(d147,d147_1,d147_14,1).
3332bond(d147,d147_2,d147_15,1).
3333bond(d147,d147_5,d147_16,1).
3334bond(d147,d147_10,d147_17,1).
3335bond(d147,d147_10,d147_18,1).
3336bond(d147,d147_10,d147_19,1).
3337atm(d148,d148_1,c,22,-0.11).
3338atm(d148,d148_2,c,22,-0.11).
3339atm(d148,d148_3,c,27,0.02).
3340atm(d148,d148_4,c,27,-0.08).
3341atm(d148,d148_5,c,26,-0.08).
3342atm(d148,d148_6,c,22,-0.11).
3343atm(d148,d148_7,c,22,-0.11).
3344atm(d148,d148_8,c,22,-0.11).
3345atm(d148,d148_9,c,22,-0.11).
3346atm(d148,d148_10,c,26,-0.08).
3347atm(d148,d148_11,c,21,-0.08).
3348atm(d148,d148_12,c,21,-0.08).
3349atm(d148,d148_13,h,3,0.149).
3350atm(d148,d148_14,h,3,0.149).
3351atm(d148,d148_15,h,3,0.149).
3352atm(d148,d148_16,h,3,0.149).
3353atm(d148,d148_17,h,3,0.149).
3354atm(d148,d148_18,h,3,0.119).
3355atm(d148,d148_19,h,3,0.119).
3356atm(d148,d148_20,n,38,0.819).
3357atm(d148,d148_21,o,40,-0.381).
3358atm(d148,d148_22,o,40,-0.381).
3359
3360bond(d148,d148_1,d148_2,7).
3361bond(d148,d148_2,d148_3,7).
3362bond(d148,d148_3,d148_4,7).
3363bond(d148,d148_4,d148_5,7).
3364bond(d148,d148_5,d148_6,7).
3365bond(d148,d148_6,d148_1,7).
3366bond(d148,d148_3,d148_7,7).
3367bond(d148,d148_7,d148_8,7).
3368bond(d148,d148_8,d148_9,7).
3369bond(d148,d148_9,d148_10,7).
3370bond(d148,d148_10,d148_4,7).
3371bond(d148,d148_5,d148_11,7).
3372bond(d148,d148_10,d148_12,7).
3373bond(d148,d148_11,d148_12,7).
3374bond(d148,d148_1,d148_13,1).
3375bond(d148,d148_2,d148_14,1).
3376bond(d148,d148_6,d148_15,1).
3377bond(d148,d148_7,d148_16,1).
3378bond(d148,d148_8,d148_17,1).
3379bond(d148,d148_11,d148_18,1).
3380bond(d148,d148_12,d148_19,1).
3381bond(d148,d148_9,d148_20,1).
3382bond(d148,d148_20,d148_21,2).
3383bond(d148,d148_20,d148_22,2).
3384atm(d149,d149_1,c,22,-0.142).
3385atm(d149,d149_2,c,22,-0.142).
3386atm(d149,d149_3,c,22,0.188).
3387atm(d149,d149_4,c,22,0.188).
3388atm(d149,d149_5,c,22,-0.142).
3389atm(d149,d149_6,c,22,-0.142).
3390atm(d149,d149_7,h,3,0.118).
3391atm(d149,d149_8,h,3,0.118).
3392atm(d149,d149_9,h,3,0.118).
3393atm(d149,d149_10,n,32,-0.412).
3394atm(d149,d149_11,c,22,0.188).
3395atm(d149,d149_12,c,22,0.188).
3396atm(d149,d149_13,n,32,-0.412).
3397atm(d149,d149_14,c,22,-0.142).
3398atm(d149,d149_15,c,22,-0.142).
3399atm(d149,d149_16,c,22,-0.142).
3400atm(d149,d149_17,c,22,-0.142).
3401atm(d149,d149_18,h,3,0.118).
3402atm(d149,d149_19,h,3,0.118).
3403atm(d149,d149_20,h,3,0.118).
3404atm(d149,d149_21,h,1,0.288).
3405atm(d149,d149_22,h,1,0.288).
3406atm(d149,d149_23,n,38,0.787).
3407atm(d149,d149_24,n,38,0.787).
3408atm(d149,d149_25,o,40,-0.413).
3409atm(d149,d149_26,o,40,-0.413).
3410atm(d149,d149_27,o,40,-0.412).
3411atm(d149,d149_28,o,40,-0.412).
3412
3413bond(d149,d149_1,d149_2,7).
3414bond(d149,d149_2,d149_3,7).
3415bond(d149,d149_3,d149_4,7).
3416bond(d149,d149_4,d149_5,7).
3417bond(d149,d149_5,d149_6,7).
3418bond(d149,d149_6,d149_1,7).
3419bond(d149,d149_2,d149_7,1).
3420bond(d149,d149_5,d149_8,1).
3421bond(d149,d149_6,d149_9,1).
3422bond(d149,d149_3,d149_10,1).
3423bond(d149,d149_10,d149_11,1).
3424bond(d149,d149_11,d149_12,7).
3425bond(d149,d149_12,d149_13,1).
3426bond(d149,d149_13,d149_4,1).
3427bond(d149,d149_11,d149_14,7).
3428bond(d149,d149_14,d149_15,7).
3429bond(d149,d149_15,d149_16,7).
3430bond(d149,d149_16,d149_17,7).
3431bond(d149,d149_17,d149_12,7).
3432bond(d149,d149_14,d149_18,1).
3433bond(d149,d149_15,d149_19,1).
3434bond(d149,d149_17,d149_20,1).
3435bond(d149,d149_13,d149_21,1).
3436bond(d149,d149_10,d149_22,1).
3437bond(d149,d149_16,d149_23,1).
3438bond(d149,d149_1,d149_24,1).
3439bond(d149,d149_23,d149_25,2).
3440bond(d149,d149_23,d149_26,2).
3441bond(d149,d149_24,d149_27,2).
3442bond(d149,d149_24,d149_28,2).
3443atm(d15,d15_1,c,22,-0.118).
3444atm(d15,d15_2,c,22,-0.118).
3445atm(d15,d15_3,c,27,0.012).
3446atm(d15,d15_4,c,27,-0.088).
3447atm(d15,d15_5,c,27,0.012).
3448atm(d15,d15_6,c,22,-0.118).
3449atm(d15,d15_7,h,3,0.141).
3450atm(d15,d15_8,h,3,0.142).
3451atm(d15,d15_9,h,3,0.142).
3452atm(d15,d15_10,c,27,-0.088).
3453atm(d15,d15_11,c,27,0.012).
3454atm(d15,d15_12,c,22,-0.118).
3455atm(d15,d15_13,c,22,-0.118).
3456atm(d15,d15_14,h,3,0.141).
3457atm(d15,d15_15,h,3,0.142).
3458atm(d15,d15_16,c,22,-0.118).
3459atm(d15,d15_17,c,22,-0.118).
3460atm(d15,d15_18,c,27,0.012).
3461atm(d15,d15_19,h,3,0.141).
3462atm(d15,d15_20,h,3,0.142).
3463atm(d15,d15_21,c,22,-0.118).
3464atm(d15,d15_22,c,22,-0.118).
3465atm(d15,d15_23,c,22,-0.118).
3466atm(d15,d15_24,h,3,0.142).
3467atm(d15,d15_25,h,3,0.142).
3468atm(d15,d15_26,n,38,0.811).
3469atm(d15,d15_27,o,40,-0.389).
3470atm(d15,d15_28,o,40,-0.389).
3471
3472bond(d15,d15_1,d15_2,7).
3473bond(d15,d15_2,d15_3,7).
3474bond(d15,d15_3,d15_4,7).
3475bond(d15,d15_4,d15_5,7).
3476bond(d15,d15_5,d15_6,7).
3477bond(d15,d15_6,d15_1,7).
3478bond(d15,d15_1,d15_7,1).
3479bond(d15,d15_2,d15_8,1).
3480bond(d15,d15_6,d15_9,1).
3481bond(d15,d15_4,d15_10,7).
3482bond(d15,d15_10,d15_11,7).
3483bond(d15,d15_11,d15_12,7).
3484bond(d15,d15_12,d15_13,7).
3485bond(d15,d15_13,d15_5,7).
3486bond(d15,d15_12,d15_14,1).
3487bond(d15,d15_13,d15_15,1).
3488bond(d15,d15_3,d15_16,7).
3489bond(d15,d15_16,d15_17,7).
3490bond(d15,d15_17,d15_18,7).
3491bond(d15,d15_18,d15_10,7).
3492bond(d15,d15_16,d15_19,1).
3493bond(d15,d15_17,d15_20,1).
3494bond(d15,d15_18,d15_21,7).
3495bond(d15,d15_21,d15_22,7).
3496bond(d15,d15_22,d15_23,7).
3497bond(d15,d15_23,d15_11,7).
3498bond(d15,d15_21,d15_24,1).
3499bond(d15,d15_22,d15_25,1).
3500bond(d15,d15_26,d15_23,1).
3501bond(d15,d15_26,d15_27,2).
3502bond(d15,d15_26,d15_28,2).
3503atm(d150,d150_1,c,21,0.03).
3504atm(d150,d150_2,c,21,0.03).
3505atm(d150,d150_3,n,34,-0.509).
3506atm(d150,d150_4,c,21,0.03).
3507atm(d150,d150_5,n,34,-0.509).
3508atm(d150,d150_6,n,38,0.831).
3509atm(d150,d150_7,o,40,-0.369).
3510atm(d150,d150_8,o,40,-0.369).
3511atm(d150,d150_9,c,10,0.03).
3512atm(d150,d150_10,c,10,0.201).
3513atm(d150,d150_11,o,45,-0.619).
3514atm(d150,d150_12,c,10,0.121).
3515atm(d150,d150_13,h,3,0.131).
3516atm(d150,d150_14,h,3,0.08).
3517atm(d150,d150_15,h,3,0.08).
3518atm(d150,d150_16,h,3,0.07).
3519atm(d150,d150_17,h,3,0.07).
3520atm(d150,d150_18,h,8,0.431).
3521atm(d150,d150_19,h,3,0.08).
3522atm(d150,d150_20,h,3,0.08).
3523atm(d150,d150_21,h,3,0.08).
3524
3525bond(d150,d150_1,d150_2,7).
3526bond(d150,d150_2,d150_3,7).
3527bond(d150,d150_3,d150_4,7).
3528bond(d150,d150_4,d150_5,7).
3529bond(d150,d150_5,d150_1,7).
3530bond(d150,d150_1,d150_6,1).
3531bond(d150,d150_6,d150_7,2).
3532bond(d150,d150_6,d150_8,2).
3533bond(d150,d150_5,d150_9,1).
3534bond(d150,d150_9,d150_10,1).
3535bond(d150,d150_10,d150_11,1).
3536bond(d150,d150_4,d150_12,1).
3537bond(d150,d150_2,d150_13,1).
3538bond(d150,d150_9,d150_14,1).
3539bond(d150,d150_9,d150_15,1).
3540bond(d150,d150_10,d150_16,1).
3541bond(d150,d150_10,d150_17,1).
3542bond(d150,d150_11,d150_18,1).
3543bond(d150,d150_12,d150_19,1).
3544bond(d150,d150_12,d150_20,1).
3545bond(d150,d150_12,d150_21,1).
3546atm(d151,d151_1,c,22,-0.115).
3547atm(d151,d151_2,c,22,-0.115).
3548atm(d151,d151_3,c,26,0.315).
3549atm(d151,d151_4,c,26,0.115).
3550atm(d151,d151_5,c,22,-0.115).
3551atm(d151,d151_6,c,22,-0.115).
3552atm(d151,d151_7,n,34,-0.384).
3553atm(d151,d151_8,n,34,-0.384).
3554atm(d151,d151_9,c,21,-0.115).
3555atm(d151,d151_10,n,38,0.816).
3556atm(d151,d151_11,o,40,-0.384).
3557atm(d151,d151_12,o,40,-0.384).
3558atm(d151,d151_13,h,3,0.145).
3559atm(d151,d151_14,h,3,0.115).
3560atm(d151,d151_15,h,3,0.145).
3561atm(d151,d151_16,h,3,0.145).
3562atm(d151,d151_17,h,1,0.315).
3563
3564bond(d151,d151_1,d151_2,7).
3565bond(d151,d151_2,d151_3,7).
3566bond(d151,d151_3,d151_4,7).
3567bond(d151,d151_4,d151_5,7).
3568bond(d151,d151_5,d151_6,7).
3569bond(d151,d151_6,d151_1,7).
3570bond(d151,d151_3,d151_7,7).
3571bond(d151,d151_7,d151_8,7).
3572bond(d151,d151_4,d151_9,7).
3573bond(d151,d151_9,d151_8,7).
3574bond(d151,d151_2,d151_10,1).
3575bond(d151,d151_10,d151_11,2).
3576bond(d151,d151_10,d151_12,2).
3577bond(d151,d151_1,d151_13,1).
3578bond(d151,d151_5,d151_14,1).
3579bond(d151,d151_6,d151_15,1).
3580bond(d151,d151_9,d151_16,1).
3581bond(d151,d151_7,d151_17,1).
3582atm(d152,d152_1,c,22,-0.118).
3583atm(d152,d152_2,c,22,-0.118).
3584atm(d152,d152_3,c,27,0.012).
3585atm(d152,d152_4,c,27,-0.088).
3586atm(d152,d152_5,c,28,0.012).
3587atm(d152,d152_6,c,22,-0.118).
3588atm(d152,d152_7,h,3,0.142).
3589atm(d152,d152_8,h,3,0.142).
3590atm(d152,d152_9,c,22,-0.118).
3591atm(d152,d152_10,c,22,-0.118).
3592atm(d152,d152_11,c,22,-0.118).
3593atm(d152,d152_12,c,29,0.012).
3594atm(d152,d152_13,h,3,0.142).
3595atm(d152,d152_14,h,3,0.142).
3596atm(d152,d152_15,c,28,0.012).
3597atm(d152,d152_16,c,28,0.012).
3598atm(d152,d152_17,c,22,-0.118).
3599atm(d152,d152_18,c,22,-0.118).
3600atm(d152,d152_19,c,22,-0.118).
3601atm(d152,d152_20,c,22,-0.118).
3602atm(d152,d152_21,h,3,0.142).
3603atm(d152,d152_22,h,3,0.142).
3604atm(d152,d152_23,h,3,0.142).
3605atm(d152,d152_24,h,3,0.142).
3606atm(d152,d152_25,n,38,0.812).
3607atm(d152,d152_26,n,38,0.812).
3608atm(d152,d152_27,o,40,-0.388).
3609atm(d152,d152_28,o,40,-0.388).
3610atm(d152,d152_29,o,40,-0.388).
3611atm(d152,d152_30,o,40,-0.388).
3612
3613bond(d152,d152_1,d152_2,7).
3614bond(d152,d152_2,d152_3,7).
3615bond(d152,d152_3,d152_4,7).
3616bond(d152,d152_4,d152_5,7).
3617bond(d152,d152_5,d152_6,7).
3618bond(d152,d152_6,d152_1,7).
3619bond(d152,d152_2,d152_7,1).
3620bond(d152,d152_6,d152_8,1).
3621bond(d152,d152_3,d152_9,7).
3622bond(d152,d152_9,d152_10,7).
3623bond(d152,d152_10,d152_11,7).
3624bond(d152,d152_11,d152_12,7).
3625bond(d152,d152_12,d152_4,7).
3626bond(d152,d152_9,d152_13,1).
3627bond(d152,d152_11,d152_14,1).
3628bond(d152,d152_15,d152_16,7).
3629bond(d152,d152_16,d152_17,7).
3630bond(d152,d152_17,d152_18,7).
3631bond(d152,d152_18,d152_19,7).
3632bond(d152,d152_19,d152_20,7).
3633bond(d152,d152_20,d152_15,7).
3634bond(d152,d152_17,d152_21,1).
3635bond(d152,d152_18,d152_22,1).
3636bond(d152,d152_19,d152_23,1).
3637bond(d152,d152_20,d152_24,1).
3638bond(d152,d152_15,d152_5,1).
3639bond(d152,d152_16,d152_12,1).
3640bond(d152,d152_10,d152_25,1).
3641bond(d152,d152_1,d152_26,1).
3642bond(d152,d152_26,d152_27,2).
3643bond(d152,d152_26,d152_28,2).
3644bond(d152,d152_25,d152_29,2).
3645bond(d152,d152_25,d152_30,2).
3646atm(d153,d153_1,c,22,-0.125).
3647atm(d153,d153_2,c,22,-0.125).
3648atm(d153,d153_3,c,27,0.005).
3649atm(d153,d153_4,c,27,0.005).
3650atm(d153,d153_5,c,22,0.005).
3651atm(d153,d153_6,c,22,-0.124).
3652atm(d153,d153_7,h,3,0.136).
3653atm(d153,d153_8,h,3,0.136).
3654atm(d153,d153_9,h,3,0.136).
3655atm(d153,d153_10,c,22,-0.125).
3656atm(d153,d153_11,c,22,-0.124).
3657atm(d153,d153_12,c,22,-0.125).
3658atm(d153,d153_13,c,22,0.005).
3659atm(d153,d153_14,h,3,0.136).
3660atm(d153,d153_15,h,3,0.136).
3661atm(d153,d153_16,c,10,-0.095).
3662atm(d153,d153_17,c,10,-0.095).
3663atm(d153,d153_18,h,3,0.055).
3664atm(d153,d153_19,h,3,0.055).
3665atm(d153,d153_20,h,3,0.055).
3666atm(d153,d153_21,h,3,0.055).
3667atm(d153,d153_22,n,38,0.806).
3668atm(d153,d153_23,o,40,-0.394).
3669atm(d153,d153_24,o,40,-0.394).
3670
3671bond(d153,d153_1,d153_2,7).
3672bond(d153,d153_2,d153_3,7).
3673bond(d153,d153_3,d153_4,7).
3674bond(d153,d153_4,d153_5,7).
3675bond(d153,d153_5,d153_6,7).
3676bond(d153,d153_6,d153_1,7).
3677bond(d153,d153_1,d153_7,1).
3678bond(d153,d153_2,d153_8,1).
3679bond(d153,d153_6,d153_9,1).
3680bond(d153,d153_3,d153_10,7).
3681bond(d153,d153_10,d153_11,7).
3682bond(d153,d153_11,d153_12,7).
3683bond(d153,d153_12,d153_13,7).
3684bond(d153,d153_13,d153_4,7).
3685bond(d153,d153_11,d153_14,1).
3686bond(d153,d153_12,d153_15,1).
3687bond(d153,d153_5,d153_16,1).
3688bond(d153,d153_13,d153_17,1).
3689bond(d153,d153_16,d153_17,1).
3690bond(d153,d153_16,d153_18,1).
3691bond(d153,d153_16,d153_19,1).
3692bond(d153,d153_17,d153_20,1).
3693bond(d153,d153_17,d153_21,1).
3694bond(d153,d153_10,d153_22,1).
3695bond(d153,d153_22,d153_23,2).
3696bond(d153,d153_22,d153_24,2).
3697atm(d154,d154_1,c,22,-0.088).
3698atm(d154,d154_2,c,22,-0.088).
3699atm(d154,d154_3,c,26,0.002).
3700atm(d154,d154_4,c,26,-0.058).
3701atm(d154,d154_5,c,22,-0.088).
3702atm(d154,d154_6,c,22,-0.088).
3703atm(d154,d154_7,n,34,-0.497).
3704atm(d154,d154_8,c,21,0.042).
3705atm(d154,d154_9,n,34,-0.497).
3706atm(d154,d154_10,n,38,0.843).
3707atm(d154,d154_11,o,40,-0.357).
3708atm(d154,d154_12,o,40,-0.357).
3709atm(d154,d154_13,h,3,0.172).
3710atm(d154,d154_14,h,3,0.172).
3711atm(d154,d154_15,h,3,0.172).
3712atm(d154,d154_16,h,3,0.172).
3713atm(d154,d154_17,h,1,0.543).
3714
3715bond(d154,d154_1,d154_2,7).
3716bond(d154,d154_2,d154_3,7).
3717bond(d154,d154_3,d154_4,7).
3718bond(d154,d154_4,d154_5,7).
3719bond(d154,d154_5,d154_6,7).
3720bond(d154,d154_6,d154_1,7).
3721bond(d154,d154_3,d154_7,7).
3722bond(d154,d154_7,d154_8,7).
3723bond(d154,d154_4,d154_9,7).
3724bond(d154,d154_9,d154_8,7).
3725bond(d154,d154_8,d154_10,1).
3726bond(d154,d154_10,d154_11,2).
3727bond(d154,d154_10,d154_12,2).
3728bond(d154,d154_1,d154_13,1).
3729bond(d154,d154_2,d154_14,1).
3730bond(d154,d154_5,d154_15,1).
3731bond(d154,d154_6,d154_16,1).
3732bond(d154,d154_7,d154_17,1).
3733atm(d155,d155_1,c,22,-0.126).
3734atm(d155,d155_2,c,22,-0.126).
3735atm(d155,d155_3,c,22,-0.126).
3736atm(d155,d155_4,c,22,-0.126).
3737atm(d155,d155_5,c,22,0.184).
3738atm(d155,d155_6,c,22,-0.126).
3739atm(d155,d155_7,h,3,0.133).
3740atm(d155,d155_8,h,3,0.133).
3741atm(d155,d155_9,h,3,0.133).
3742atm(d155,d155_10,o,50,-0.227).
3743atm(d155,d155_11,c,10,0.094).
3744atm(d155,d155_12,h,3,0.054).
3745atm(d155,d155_13,h,3,0.054).
3746atm(d155,d155_14,h,3,0.054).
3747atm(d155,d155_15,n,38,0.802).
3748atm(d155,d155_16,n,38,0.802).
3749atm(d155,d155_17,o,40,-0.397).
3750atm(d155,d155_18,o,40,-0.397).
3751atm(d155,d155_19,o,40,-0.396).
3752atm(d155,d155_20,o,40,-0.396).
3753
3754bond(d155,d155_1,d155_2,7).
3755bond(d155,d155_2,d155_3,7).
3756bond(d155,d155_3,d155_4,7).
3757bond(d155,d155_4,d155_5,7).
3758bond(d155,d155_5,d155_6,7).
3759bond(d155,d155_6,d155_1,7).
3760bond(d155,d155_1,d155_7,1).
3761bond(d155,d155_3,d155_8,1).
3762bond(d155,d155_6,d155_9,1).
3763bond(d155,d155_5,d155_10,1).
3764bond(d155,d155_10,d155_11,1).
3765bond(d155,d155_11,d155_12,1).
3766bond(d155,d155_11,d155_13,1).
3767bond(d155,d155_11,d155_14,1).
3768bond(d155,d155_4,d155_15,1).
3769bond(d155,d155_2,d155_16,1).
3770bond(d155,d155_15,d155_17,2).
3771bond(d155,d155_15,d155_18,2).
3772bond(d155,d155_16,d155_19,2).
3773bond(d155,d155_16,d155_20,2).
3774atm(d156,d156_1,c,22,-0.133).
3775atm(d156,d156_2,c,22,-0.133).
3776atm(d156,d156_3,c,22,0.197).
3777atm(d156,d156_4,c,22,-0.003).
3778atm(d156,d156_5,c,22,-0.133).
3779atm(d156,d156_6,c,22,-0.133).
3780atm(d156,d156_7,h,3,0.126).
3781atm(d156,d156_8,h,3,0.126).
3782atm(d156,d156_9,h,3,0.126).
3783atm(d156,d156_10,n,32,-0.405).
3784atm(d156,d156_11,c,10,-0.003).
3785atm(d156,d156_12,c,10,-0.104).
3786atm(d156,d156_13,h,1,0.297).
3787atm(d156,d156_14,h,3,0.047).
3788atm(d156,d156_15,h,3,0.047).
3789atm(d156,d156_16,h,3,0.047).
3790atm(d156,d156_17,h,3,0.047).
3791atm(d156,d156_18,n,38,0.796).
3792atm(d156,d156_19,o,40,-0.405).
3793atm(d156,d156_20,o,40,-0.404).
3794
3795bond(d156,d156_1,d156_2,7).
3796bond(d156,d156_2,d156_3,7).
3797bond(d156,d156_3,d156_4,7).
3798bond(d156,d156_4,d156_5,7).
3799bond(d156,d156_5,d156_6,7).
3800bond(d156,d156_6,d156_1,7).
3801bond(d156,d156_2,d156_7,1).
3802bond(d156,d156_5,d156_8,1).
3803bond(d156,d156_6,d156_9,1).
3804bond(d156,d156_3,d156_10,1).
3805bond(d156,d156_10,d156_11,1).
3806bond(d156,d156_4,d156_12,1).
3807bond(d156,d156_12,d156_11,1).
3808bond(d156,d156_10,d156_13,1).
3809bond(d156,d156_12,d156_14,1).
3810bond(d156,d156_12,d156_15,1).
3811bond(d156,d156_11,d156_16,1).
3812bond(d156,d156_11,d156_17,1).
3813bond(d156,d156_1,d156_18,1).
3814bond(d156,d156_18,d156_19,2).
3815bond(d156,d156_18,d156_20,2).
3816atm(d157,d157_1,c,16,-0.191).
3817atm(d157,d157_2,c,10,0.109).
3818atm(d157,d157_3,c,22,-0.121).
3819atm(d157,d157_4,c,27,0.009).
3820atm(d157,d157_5,c,22,0.109).
3821atm(d157,d157_6,c,16,-0.191).
3822atm(d157,d157_7,c,22,-0.121).
3823atm(d157,d157_8,c,22,-0.121).
3824atm(d157,d157_9,c,27,0.009).
3825atm(d157,d157_10,c,27,-0.091).
3826atm(d157,d157_11,c,27,0.009).
3827atm(d157,d157_12,c,22,-0.121).
3828atm(d157,d157_13,c,22,-0.121).
3829atm(d157,d157_14,c,22,-0.121).
3830atm(d157,d157_15,c,22,-0.121).
3831atm(d157,d157_16,c,22,-0.121).
3832atm(d157,d157_17,h,3,0.139).
3833atm(d157,d157_18,h,3,0.139).
3834atm(d157,d157_19,h,3,0.139).
3835atm(d157,d157_20,h,3,0.139).
3836atm(d157,d157_21,h,3,0.139).
3837atm(d157,d157_22,h,3,0.139).
3838atm(d157,d157_23,h,3,0.059).
3839atm(d157,d157_24,h,3,0.059).
3840atm(d157,d157_25,h,3,0.109).
3841atm(d157,d157_26,h,3,0.109).
3842atm(d157,d157_27,n,38,0.808).
3843atm(d157,d157_28,o,40,-0.391).
3844atm(d157,d157_29,o,40,-0.391).
3845
3846bond(d157,d157_1,d157_2,1).
3847bond(d157,d157_2,d157_3,1).
3848bond(d157,d157_3,d157_4,7).
3849bond(d157,d157_4,d157_5,7).
3850bond(d157,d157_5,d157_6,1).
3851bond(d157,d157_6,d157_1,2).
3852bond(d157,d157_3,d157_7,7).
3853bond(d157,d157_7,d157_8,7).
3854bond(d157,d157_8,d157_9,7).
3855bond(d157,d157_9,d157_10,7).
3856bond(d157,d157_10,d157_4,7).
3857bond(d157,d157_10,d157_11,7).
3858bond(d157,d157_11,d157_12,7).
3859bond(d157,d157_12,d157_13,7).
3860bond(d157,d157_13,d157_5,7).
3861bond(d157,d157_9,d157_14,7).
3862bond(d157,d157_14,d157_15,7).
3863bond(d157,d157_15,d157_16,7).
3864bond(d157,d157_16,d157_11,7).
3865bond(d157,d157_7,d157_17,1).
3866bond(d157,d157_8,d157_18,1).
3867bond(d157,d157_12,d157_19,1).
3868bond(d157,d157_13,d157_20,1).
3869bond(d157,d157_14,d157_21,1).
3870bond(d157,d157_15,d157_22,1).
3871bond(d157,d157_2,d157_23,1).
3872bond(d157,d157_2,d157_24,1).
3873bond(d157,d157_6,d157_25,1).
3874bond(d157,d157_1,d157_26,1).
3875bond(d157,d157_16,d157_27,1).
3876bond(d157,d157_27,d157_28,2).
3877bond(d157,d157_27,d157_29,2).
3878atm(d158,d158_1,c,22,-0.124).
3879atm(d158,d158_2,c,22,-0.124).
3880atm(d158,d158_3,c,22,-0.124).
3881atm(d158,d158_4,c,29,0.006).
3882atm(d158,d158_5,c,22,-0.124).
3883atm(d158,d158_6,c,22,-0.124).
3884atm(d158,d158_7,h,3,0.136).
3885atm(d158,d158_8,h,3,0.136).
3886atm(d158,d158_9,h,3,0.136).
3887atm(d158,d158_10,c,22,-0.124).
3888atm(d158,d158_11,c,22,-0.124).
3889atm(d158,d158_12,c,22,0.206).
3890atm(d158,d158_13,c,22,-0.124).
3891atm(d158,d158_14,c,22,-0.124).
3892atm(d158,d158_15,c,29,0.006).
3893atm(d158,d158_16,h,3,0.136).
3894atm(d158,d158_17,h,3,0.136).
3895atm(d158,d158_18,h,3,0.136).
3896atm(d158,d158_19,c,10,0.006).
3897atm(d158,d158_20,h,3,0.056).
3898atm(d158,d158_21,h,3,0.056).
3899atm(d158,d158_22,n,38,0.805).
3900atm(d158,d158_23,o,40,-0.394).
3901atm(d158,d158_24,o,40,-0.394).
3902atm(d158,d158_25,n,32,-0.394).
3903atm(d158,d158_26,c,14,0.605).
3904atm(d158,d158_27,c,10,-0.144).
3905atm(d158,d158_28,h,1,0.256).
3906atm(d158,d158_29,o,40,-0.544).
3907atm(d158,d158_30,h,3,0.056).
3908atm(d158,d158_31,h,3,0.056).
3909atm(d158,d158_32,h,3,0.056).
3910
3911bond(d158,d158_1,d158_2,7).
3912bond(d158,d158_2,d158_3,7).
3913bond(d158,d158_3,d158_4,7).
3914bond(d158,d158_4,d158_5,7).
3915bond(d158,d158_5,d158_6,7).
3916bond(d158,d158_6,d158_1,7).
3917bond(d158,d158_2,d158_7,1).
3918bond(d158,d158_5,d158_8,1).
3919bond(d158,d158_6,d158_9,1).
3920bond(d158,d158_10,d158_11,7).
3921bond(d158,d158_11,d158_12,7).
3922bond(d158,d158_12,d158_13,7).
3923bond(d158,d158_13,d158_14,7).
3924bond(d158,d158_14,d158_15,7).
3925bond(d158,d158_15,d158_10,7).
3926bond(d158,d158_11,d158_16,1).
3927bond(d158,d158_13,d158_17,1).
3928bond(d158,d158_14,d158_18,1).
3929bond(d158,d158_4,d158_15,1).
3930bond(d158,d158_3,d158_19,1).
3931bond(d158,d158_19,d158_10,1).
3932bond(d158,d158_19,d158_20,1).
3933bond(d158,d158_19,d158_21,1).
3934bond(d158,d158_1,d158_22,1).
3935bond(d158,d158_23,d158_22,2).
3936bond(d158,d158_22,d158_24,2).
3937bond(d158,d158_12,d158_25,1).
3938bond(d158,d158_25,d158_26,1).
3939bond(d158,d158_26,d158_27,1).
3940bond(d158,d158_25,d158_28,1).
3941bond(d158,d158_26,d158_29,2).
3942bond(d158,d158_27,d158_30,1).
3943bond(d158,d158_27,d158_31,1).
3944bond(d158,d158_27,d158_32,1).
3945atm(d159,d159_1,c,16,-0.191).
3946atm(d159,d159_2,c,16,-0.191).
3947atm(d159,d159_3,c,22,0.109).
3948atm(d159,d159_4,c,27,0.009).
3949atm(d159,d159_5,c,22,-0.121).
3950atm(d159,d159_6,c,10,0.109).
3951atm(d159,d159_7,c,22,-0.121).
3952atm(d159,d159_8,c,22,-0.121).
3953atm(d159,d159_9,c,27,0.009).
3954atm(d159,d159_10,c,27,-0.091).
3955atm(d159,d159_11,c,27,0.009).
3956atm(d159,d159_12,c,22,-0.121).
3957atm(d159,d159_13,c,22,-0.121).
3958atm(d159,d159_14,c,22,-0.121).
3959atm(d159,d159_15,c,22,-0.121).
3960atm(d159,d159_16,c,22,-0.121).
3961atm(d159,d159_17,h,3,0.139).
3962atm(d159,d159_18,h,3,0.139).
3963atm(d159,d159_19,h,3,0.139).
3964atm(d159,d159_20,h,3,0.139).
3965atm(d159,d159_21,h,3,0.139).
3966atm(d159,d159_22,h,3,0.139).
3967atm(d159,d159_23,h,3,0.059).
3968atm(d159,d159_24,h,3,0.059).
3969atm(d159,d159_25,h,3,0.109).
3970atm(d159,d159_26,h,3,0.109).
3971atm(d159,d159_27,n,38,0.808).
3972atm(d159,d159_28,o,40,-0.391).
3973atm(d159,d159_29,o,40,-0.391).
3974
3975bond(d159,d159_1,d159_2,2).
3976bond(d159,d159_2,d159_3,1).
3977bond(d159,d159_3,d159_4,7).
3978bond(d159,d159_4,d159_5,7).
3979bond(d159,d159_5,d159_6,1).
3980bond(d159,d159_6,d159_1,1).
3981bond(d159,d159_3,d159_7,7).
3982bond(d159,d159_7,d159_8,7).
3983bond(d159,d159_8,d159_9,7).
3984bond(d159,d159_9,d159_10,7).
3985bond(d159,d159_10,d159_4,7).
3986bond(d159,d159_10,d159_11,7).
3987bond(d159,d159_11,d159_12,7).
3988bond(d159,d159_12,d159_13,7).
3989bond(d159,d159_13,d159_5,7).
3990bond(d159,d159_9,d159_14,7).
3991bond(d159,d159_14,d159_15,7).
3992bond(d159,d159_15,d159_16,7).
3993bond(d159,d159_16,d159_11,7).
3994bond(d159,d159_7,d159_17,1).
3995bond(d159,d159_8,d159_18,1).
3996bond(d159,d159_12,d159_19,1).
3997bond(d159,d159_13,d159_20,1).
3998bond(d159,d159_14,d159_21,1).
3999bond(d159,d159_15,d159_22,1).
4000bond(d159,d159_6,d159_23,1).
4001bond(d159,d159_6,d159_24,1).
4002bond(d159,d159_1,d159_25,1).
4003bond(d159,d159_2,d159_26,1).
4004bond(d159,d159_16,d159_27,1).
4005bond(d159,d159_27,d159_28,2).
4006bond(d159,d159_27,d159_29,2).
4007atm(d16,d16_1,c,22,-0.118).
4008atm(d16,d16_2,c,22,-0.118).
4009atm(d16,d16_3,c,27,0.012).
4010atm(d16,d16_4,c,27,-0.088).
4011atm(d16,d16_5,c,28,0.012).
4012atm(d16,d16_6,c,22,-0.118).
4013atm(d16,d16_7,c,22,-0.118).
4014atm(d16,d16_8,c,22,-0.118).
4015atm(d16,d16_9,c,22,-0.118).
4016atm(d16,d16_10,c,29,0.012).
4017atm(d16,d16_11,c,28,0.012).
4018atm(d16,d16_12,c,28,0.012).
4019atm(d16,d16_13,c,22,-0.118).
4020atm(d16,d16_14,c,22,-0.118).
4021atm(d16,d16_15,c,22,-0.118).
4022atm(d16,d16_16,c,22,-0.118).
4023atm(d16,d16_17,n,38,0.812).
4024atm(d16,d16_18,n,38,0.812).
4025atm(d16,d16_19,o,40,-0.388).
4026atm(d16,d16_20,o,40,-0.388).
4027atm(d16,d16_21,o,40,-0.388).
4028atm(d16,d16_22,o,40,-0.388).
4029atm(d16,d16_23,h,3,0.142).
4030atm(d16,d16_24,h,3,0.142).
4031atm(d16,d16_25,h,3,0.142).
4032atm(d16,d16_26,h,3,0.142).
4033atm(d16,d16_27,h,3,0.142).
4034atm(d16,d16_28,h,3,0.142).
4035atm(d16,d16_29,h,3,0.142).
4036atm(d16,d16_30,h,3,0.142).
4037
4038bond(d16,d16_1,d16_2,7).
4039bond(d16,d16_2,d16_3,7).
4040bond(d16,d16_3,d16_4,7).
4041bond(d16,d16_4,d16_5,7).
4042bond(d16,d16_5,d16_6,7).
4043bond(d16,d16_6,d16_1,7).
4044bond(d16,d16_3,d16_7,7).
4045bond(d16,d16_7,d16_8,7).
4046bond(d16,d16_8,d16_9,7).
4047bond(d16,d16_9,d16_10,7).
4048bond(d16,d16_10,d16_4,7).
4049bond(d16,d16_11,d16_12,7).
4050bond(d16,d16_12,d16_13,7).
4051bond(d16,d16_13,d16_14,7).
4052bond(d16,d16_14,d16_15,7).
4053bond(d16,d16_15,d16_16,7).
4054bond(d16,d16_16,d16_11,7).
4055bond(d16,d16_11,d16_5,1).
4056bond(d16,d16_7,d16_17,1).
4057bond(d16,d16_2,d16_18,1).
4058bond(d16,d16_17,d16_19,2).
4059bond(d16,d16_17,d16_20,2).
4060bond(d16,d16_18,d16_21,2).
4061bond(d16,d16_18,d16_22,2).
4062bond(d16,d16_1,d16_23,1).
4063bond(d16,d16_6,d16_24,1).
4064bond(d16,d16_8,d16_25,1).
4065bond(d16,d16_9,d16_26,1).
4066bond(d16,d16_14,d16_27,1).
4067bond(d16,d16_15,d16_28,1).
4068bond(d16,d16_16,d16_29,1).
4069bond(d16,d16_13,d16_30,1).
4070bond(d16,d16_12,d16_10,1).
4071atm(d160,d160_1,c,22,-0.104).
4072atm(d160,d160_2,c,22,-0.104).
4073atm(d160,d160_3,c,22,-0.104).
4074atm(d160,d160_4,c,22,-0.104).
4075atm(d160,d160_5,c,22,0.226).
4076atm(d160,d160_6,c,22,-0.104).
4077atm(d160,d160_7,h,3,0.156).
4078atm(d160,d160_8,h,3,0.156).
4079atm(d160,d160_9,n,32,-0.755).
4080atm(d160,d160_10,h,1,0.355).
4081atm(d160,d160_11,h,1,0.356).
4082atm(d160,d160_12,br,94,-0.124).
4083atm(d160,d160_13,n,38,0.825).
4084atm(d160,d160_14,n,38,0.825).
4085atm(d160,d160_15,o,40,-0.375).
4086atm(d160,d160_16,o,40,-0.375).
4087atm(d160,d160_17,o,40,-0.375).
4088atm(d160,d160_18,o,40,-0.375).
4089
4090bond(d160,d160_1,d160_2,7).
4091bond(d160,d160_2,d160_3,7).
4092bond(d160,d160_3,d160_4,7).
4093bond(d160,d160_4,d160_5,7).
4094bond(d160,d160_5,d160_6,7).
4095bond(d160,d160_6,d160_1,7).
4096bond(d160,d160_1,d160_7,1).
4097bond(d160,d160_3,d160_8,1).
4098bond(d160,d160_5,d160_9,1).
4099bond(d160,d160_9,d160_10,1).
4100bond(d160,d160_9,d160_11,1).
4101bond(d160,d160_4,d160_12,1).
4102bond(d160,d160_2,d160_13,1).
4103bond(d160,d160_6,d160_14,1).
4104bond(d160,d160_14,d160_15,2).
4105bond(d160,d160_14,d160_16,2).
4106bond(d160,d160_13,d160_17,2).
4107bond(d160,d160_13,d160_18,2).
4108atm(d161,d161_1,c,22,-0.106).
4109atm(d161,d161_2,c,22,-0.106).
4110atm(d161,d161_3,c,27,0.024).
4111atm(d161,d161_4,c,195,-0.076).
4112atm(d161,d161_5,c,195,-0.076).
4113atm(d161,d161_6,c,22,-0.106).
4114atm(d161,d161_7,h,3,0.154).
4115atm(d161,d161_8,h,3,0.154).
4116atm(d161,d161_9,c,22,-0.106).
4117atm(d161,d161_10,c,22,-0.106).
4118atm(d161,d161_11,c,27,0.024).
4119atm(d161,d161_12,c,195,-0.076).
4120atm(d161,d161_13,h,3,0.154).
4121atm(d161,d161_14,h,3,0.154).
4122atm(d161,d161_15,c,195,-0.076).
4123atm(d161,d161_16,c,27,-0.076).
4124atm(d161,d161_17,c,27,-0.076).
4125atm(d161,d161_18,c,22,-0.106).
4126atm(d161,d161_19,c,22,-0.106).
4127atm(d161,d161_20,c,22,-0.106).
4128atm(d161,d161_21,h,3,0.154).
4129atm(d161,d161_22,h,3,0.154).
4130atm(d161,d161_23,c,22,-0.106).
4131atm(d161,d161_24,c,22,-0.106).
4132atm(d161,d161_25,c,22,-0.106).
4133atm(d161,d161_26,c,22,-0.106).
4134atm(d161,d161_27,h,3,0.154).
4135atm(d161,d161_28,h,3,0.154).
4136atm(d161,d161_29,h,3,0.154).
4137atm(d161,d161_30,h,3,0.154).
4138atm(d161,d161_31,n,38,0.823).
4139atm(d161,d161_32,n,38,0.823).
4140atm(d161,d161_33,o,40,-0.377).
4141atm(d161,d161_34,o,40,-0.376).
4142atm(d161,d161_35,o,40,-0.376).
4143atm(d161,d161_36,o,40,-0.377).
4144
4145bond(d161,d161_1,d161_2,7).
4146bond(d161,d161_2,d161_3,7).
4147bond(d161,d161_3,d161_4,7).
4148bond(d161,d161_4,d161_5,7).
4149bond(d161,d161_5,d161_6,7).
4150bond(d161,d161_6,d161_1,7).
4151bond(d161,d161_1,d161_7,1).
4152bond(d161,d161_6,d161_8,1).
4153bond(d161,d161_3,d161_9,7).
4154bond(d161,d161_9,d161_10,7).
4155bond(d161,d161_10,d161_11,7).
4156bond(d161,d161_11,d161_12,7).
4157bond(d161,d161_12,d161_4,7).
4158bond(d161,d161_9,d161_13,1).
4159bond(d161,d161_10,d161_14,1).
4160bond(d161,d161_12,d161_15,7).
4161bond(d161,d161_15,d161_16,7).
4162bond(d161,d161_16,d161_17,7).
4163bond(d161,d161_17,d161_5,7).
4164bond(d161,d161_11,d161_18,7).
4165bond(d161,d161_18,d161_19,7).
4166bond(d161,d161_19,d161_20,7).
4167bond(d161,d161_20,d161_15,7).
4168bond(d161,d161_18,d161_21,1).
4169bond(d161,d161_19,d161_22,1).
4170bond(d161,d161_16,d161_23,7).
4171bond(d161,d161_23,d161_24,7).
4172bond(d161,d161_24,d161_25,7).
4173bond(d161,d161_25,d161_26,7).
4174bond(d161,d161_26,d161_17,7).
4175bond(d161,d161_23,d161_27,1).
4176bond(d161,d161_24,d161_28,1).
4177bond(d161,d161_25,d161_29,1).
4178bond(d161,d161_26,d161_30,1).
4179bond(d161,d161_20,d161_31,1).
4180bond(d161,d161_2,d161_32,1).
4181bond(d161,d161_31,d161_33,2).
4182bond(d161,d161_31,d161_34,2).
4183bond(d161,d161_32,d161_35,2).
4184bond(d161,d161_32,d161_36,2).
4185atm(d162,d162_1,c,22,-0.113).
4186atm(d162,d162_2,c,22,-0.113).
4187atm(d162,d162_3,c,22,-0.113).
4188atm(d162,d162_4,c,29,0.017).
4189atm(d162,d162_5,c,22,-0.113).
4190atm(d162,d162_6,c,22,-0.113).
4191atm(d162,d162_7,h,3,0.147).
4192atm(d162,d162_8,h,3,0.147).
4193atm(d162,d162_9,h,3,0.147).
4194atm(d162,d162_10,c,29,0.017).
4195atm(d162,d162_11,c,22,-0.113).
4196atm(d162,d162_12,c,22,-0.113).
4197atm(d162,d162_13,c,22,-0.113).
4198atm(d162,d162_14,c,22,-0.113).
4199atm(d162,d162_15,c,22,-0.113).
4200atm(d162,d162_16,h,3,0.147).
4201atm(d162,d162_17,h,3,0.147).
4202atm(d162,d162_18,h,3,0.147).
4203atm(d162,d162_19,n,38,0.818).
4204atm(d162,d162_20,n,38,0.818).
4205atm(d162,d162_21,n,38,0.818).
4206atm(d162,d162_22,n,38,0.818).
4207atm(d162,d162_23,o,40,-0.382).
4208atm(d162,d162_24,o,40,-0.382).
4209atm(d162,d162_25,o,40,-0.382).
4210atm(d162,d162_26,o,40,-0.383).
4211atm(d162,d162_27,o,40,-0.383).
4212atm(d162,d162_28,o,40,-0.382).
4213atm(d162,d162_29,o,40,-0.382).
4214atm(d162,d162_30,o,40,-0.382).
4215
4216bond(d162,d162_1,d162_2,7).
4217bond(d162,d162_2,d162_3,7).
4218bond(d162,d162_3,d162_4,7).
4219bond(d162,d162_4,d162_5,7).
4220bond(d162,d162_5,d162_6,7).
4221bond(d162,d162_6,d162_1,7).
4222bond(d162,d162_2,d162_7,1).
4223bond(d162,d162_3,d162_8,1).
4224bond(d162,d162_5,d162_9,1).
4225bond(d162,d162_10,d162_11,7).
4226bond(d162,d162_11,d162_12,7).
4227bond(d162,d162_12,d162_13,7).
4228bond(d162,d162_13,d162_14,7).
4229bond(d162,d162_14,d162_15,7).
4230bond(d162,d162_15,d162_10,7).
4231bond(d162,d162_11,d162_16,1).
4232bond(d162,d162_12,d162_17,1).
4233bond(d162,d162_15,d162_18,1).
4234bond(d162,d162_4,d162_10,1).
4235bond(d162,d162_14,d162_19,1).
4236bond(d162,d162_13,d162_20,1).
4237bond(d162,d162_6,d162_21,1).
4238bond(d162,d162_1,d162_22,1).
4239bond(d162,d162_22,d162_23,2).
4240bond(d162,d162_22,d162_24,2).
4241bond(d162,d162_21,d162_25,2).
4242bond(d162,d162_21,d162_26,2).
4243bond(d162,d162_19,d162_27,2).
4244bond(d162,d162_19,d162_28,2).
4245bond(d162,d162_20,d162_29,2).
4246bond(d162,d162_20,d162_30,2).
4247atm(d163,d163_1,c,22,-0.115).
4248atm(d163,d163_2,c,22,-0.115).
4249atm(d163,d163_3,c,27,0.015).
4250atm(d163,d163_4,c,27,-0.085).
4251atm(d163,d163_5,c,27,0.015).
4252atm(d163,d163_6,c,22,-0.115).
4253atm(d163,d163_7,h,3,0.145).
4254atm(d163,d163_8,h,3,0.146).
4255atm(d163,d163_9,c,22,-0.115).
4256atm(d163,d163_10,c,22,-0.115).
4257atm(d163,d163_11,c,27,0.015).
4258atm(d163,d163_12,c,27,-0.085).
4259atm(d163,d163_13,h,3,0.146).
4260atm(d163,d163_14,h,3,0.146).
4261atm(d163,d163_15,c,27,0.015).
4262atm(d163,d163_16,c,22,-0.115).
4263atm(d163,d163_17,c,22,-0.115).
4264atm(d163,d163_18,h,3,0.145).
4265atm(d163,d163_19,h,3,0.145).
4266atm(d163,d163_20,c,22,-0.115).
4267atm(d163,d163_21,c,22,-0.115).
4268atm(d163,d163_22,c,22,-0.115).
4269atm(d163,d163_23,h,3,0.146).
4270atm(d163,d163_24,h,3,0.145).
4271atm(d163,d163_25,n,38,0.816).
4272atm(d163,d163_26,n,38,0.816).
4273atm(d163,d163_27,o,40,-0.384).
4274atm(d163,d163_28,o,40,-0.384).
4275atm(d163,d163_29,o,40,-0.384).
4276atm(d163,d163_30,o,40,-0.384).
4277
4278bond(d163,d163_1,d163_2,7).
4279bond(d163,d163_2,d163_3,7).
4280bond(d163,d163_3,d163_4,7).
4281bond(d163,d163_4,d163_5,7).
4282bond(d163,d163_5,d163_6,7).
4283bond(d163,d163_6,d163_1,7).
4284bond(d163,d163_2,d163_7,1).
4285bond(d163,d163_6,d163_8,1).
4286bond(d163,d163_3,d163_9,7).
4287bond(d163,d163_9,d163_10,7).
4288bond(d163,d163_10,d163_11,7).
4289bond(d163,d163_11,d163_12,7).
4290bond(d163,d163_12,d163_4,7).
4291bond(d163,d163_9,d163_13,1).
4292bond(d163,d163_10,d163_14,1).
4293bond(d163,d163_12,d163_15,7).
4294bond(d163,d163_15,d163_16,7).
4295bond(d163,d163_16,d163_17,7).
4296bond(d163,d163_17,d163_5,7).
4297bond(d163,d163_16,d163_18,1).
4298bond(d163,d163_17,d163_19,1).
4299bond(d163,d163_11,d163_20,7).
4300bond(d163,d163_20,d163_21,7).
4301bond(d163,d163_21,d163_22,7).
4302bond(d163,d163_22,d163_15,7).
4303bond(d163,d163_20,d163_23,1).
4304bond(d163,d163_22,d163_24,1).
4305bond(d163,d163_21,d163_25,1).
4306bond(d163,d163_1,d163_26,1).
4307bond(d163,d163_25,d163_27,2).
4308bond(d163,d163_25,d163_28,2).
4309bond(d163,d163_26,d163_29,2).
4310bond(d163,d163_26,d163_30,2).
4311atm(d164,d164_1,c,22,-0.115).
4312atm(d164,d164_2,c,22,-0.115).
4313atm(d164,d164_3,c,27,0.015).
4314atm(d164,d164_4,c,27,-0.085).
4315atm(d164,d164_5,c,27,0.015).
4316atm(d164,d164_6,c,22,-0.115).
4317atm(d164,d164_7,h,3,0.145).
4318atm(d164,d164_8,h,3,0.146).
4319atm(d164,d164_9,c,22,-0.115).
4320atm(d164,d164_10,c,22,-0.115).
4321atm(d164,d164_11,c,27,0.015).
4322atm(d164,d164_12,c,27,-0.085).
4323atm(d164,d164_13,h,3,0.146).
4324atm(d164,d164_14,h,3,0.146).
4325atm(d164,d164_15,c,27,0.015).
4326atm(d164,d164_16,c,22,-0.115).
4327atm(d164,d164_17,c,22,-0.115).
4328atm(d164,d164_18,h,3,0.145).
4329atm(d164,d164_19,h,3,0.145).
4330atm(d164,d164_20,c,22,-0.115).
4331atm(d164,d164_21,c,22,-0.115).
4332atm(d164,d164_22,c,22,-0.115).
4333atm(d164,d164_23,h,3,0.146).
4334atm(d164,d164_24,h,3,0.145).
4335atm(d164,d164_25,n,38,0.816).
4336atm(d164,d164_26,n,38,0.816).
4337atm(d164,d164_27,o,40,-0.384).
4338atm(d164,d164_28,o,40,-0.384).
4339atm(d164,d164_29,o,40,-0.384).
4340atm(d164,d164_30,o,40,-0.384).
4341
4342bond(d164,d164_1,d164_2,7).
4343bond(d164,d164_2,d164_3,7).
4344bond(d164,d164_3,d164_4,7).
4345bond(d164,d164_4,d164_5,7).
4346bond(d164,d164_5,d164_6,7).
4347bond(d164,d164_6,d164_1,7).
4348bond(d164,d164_2,d164_7,1).
4349bond(d164,d164_6,d164_8,1).
4350bond(d164,d164_3,d164_9,7).
4351bond(d164,d164_9,d164_10,7).
4352bond(d164,d164_10,d164_11,7).
4353bond(d164,d164_11,d164_12,7).
4354bond(d164,d164_12,d164_4,7).
4355bond(d164,d164_9,d164_13,1).
4356bond(d164,d164_10,d164_14,1).
4357bond(d164,d164_12,d164_15,7).
4358bond(d164,d164_15,d164_16,7).
4359bond(d164,d164_16,d164_17,7).
4360bond(d164,d164_17,d164_5,7).
4361bond(d164,d164_16,d164_18,1).
4362bond(d164,d164_17,d164_19,1).
4363bond(d164,d164_11,d164_20,7).
4364bond(d164,d164_20,d164_21,7).
4365bond(d164,d164_21,d164_22,7).
4366bond(d164,d164_22,d164_15,7).
4367bond(d164,d164_21,d164_23,1).
4368bond(d164,d164_1,d164_24,1).
4369bond(d164,d164_22,d164_25,1).
4370bond(d164,d164_20,d164_26,1).
4371bond(d164,d164_25,d164_27,2).
4372bond(d164,d164_25,d164_28,2).
4373bond(d164,d164_26,d164_29,2).
4374bond(d164,d164_26,d164_30,2).
4375atm(d165,d165_1,c,22,-0.122).
4376atm(d165,d165_2,c,22,-0.122).
4377atm(d165,d165_3,c,27,0.008).
4378atm(d165,d165_4,c,27,-0.092).
4379atm(d165,d165_5,c,28,0.008).
4380atm(d165,d165_6,c,22,-0.122).
4381atm(d165,d165_7,h,3,0.139).
4382atm(d165,d165_8,h,3,0.138).
4383atm(d165,d165_9,h,3,0.138).
4384atm(d165,d165_10,c,22,-0.122).
4385atm(d165,d165_11,c,22,-0.122).
4386atm(d165,d165_12,c,22,-0.122).
4387atm(d165,d165_13,c,29,0.008).
4388atm(d165,d165_14,h,3,0.139).
4389atm(d165,d165_15,h,3,0.138).
4390atm(d165,d165_16,h,3,0.138).
4391atm(d165,d165_17,c,28,0.008).
4392atm(d165,d165_18,c,28,0.008).
4393atm(d165,d165_19,c,22,-0.122).
4394atm(d165,d165_20,c,22,-0.122).
4395atm(d165,d165_21,c,22,-0.122).
4396atm(d165,d165_22,c,22,-0.122).
4397atm(d165,d165_23,h,3,0.139).
4398atm(d165,d165_24,h,3,0.138).
4399atm(d165,d165_25,h,3,0.138).
4400atm(d165,d165_26,n,38,0.809).
4401atm(d165,d165_27,o,40,-0.391).
4402atm(d165,d165_28,o,40,-0.391).
4403
4404bond(d165,d165_1,d165_2,7).
4405bond(d165,d165_2,d165_3,7).
4406bond(d165,d165_3,d165_4,7).
4407bond(d165,d165_4,d165_5,7).
4408bond(d165,d165_5,d165_6,7).
4409bond(d165,d165_6,d165_1,7).
4410bond(d165,d165_1,d165_7,1).
4411bond(d165,d165_2,d165_8,1).
4412bond(d165,d165_6,d165_9,1).
4413bond(d165,d165_3,d165_10,7).
4414bond(d165,d165_10,d165_11,7).
4415bond(d165,d165_11,d165_12,7).
4416bond(d165,d165_12,d165_13,7).
4417bond(d165,d165_13,d165_4,7).
4418bond(d165,d165_10,d165_14,1).
4419bond(d165,d165_11,d165_15,1).
4420bond(d165,d165_12,d165_16,1).
4421bond(d165,d165_17,d165_18,7).
4422bond(d165,d165_18,d165_19,7).
4423bond(d165,d165_19,d165_20,7).
4424bond(d165,d165_20,d165_21,7).
4425bond(d165,d165_21,d165_22,7).
4426bond(d165,d165_22,d165_17,7).
4427bond(d165,d165_19,d165_23,1).
4428bond(d165,d165_20,d165_24,1).
4429bond(d165,d165_22,d165_25,1).
4430bond(d165,d165_17,d165_5,1).
4431bond(d165,d165_18,d165_13,1).
4432bond(d165,d165_21,d165_26,1).
4433bond(d165,d165_26,d165_27,2).
4434bond(d165,d165_26,d165_28,2).
4435atm(d166,d166_1,c,22,-0.125).
4436atm(d166,d166_2,c,22,-0.125).
4437atm(d166,d166_3,c,27,0.005).
4438atm(d166,d166_4,c,27,-0.095).
4439atm(d166,d166_5,c,27,0.005).
4440atm(d166,d166_6,c,22,-0.125).
4441atm(d166,d166_7,h,3,0.135).
4442atm(d166,d166_8,h,3,0.136).
4443atm(d166,d166_9,h,3,0.136).
4444atm(d166,d166_10,c,22,-0.125).
4445atm(d166,d166_11,c,22,-0.125).
4446atm(d166,d166_12,c,27,0.005).
4447atm(d166,d166_13,c,27,-0.095).
4448atm(d166,d166_14,h,3,0.136).
4449atm(d166,d166_15,h,3,0.135).
4450atm(d166,d166_16,c,27,0.005).
4451atm(d166,d166_17,c,22,-0.125).
4452atm(d166,d166_18,c,22,-0.125).
4453atm(d166,d166_19,h,3,0.135).
4454atm(d166,d166_20,h,3,0.135).
4455atm(d166,d166_21,c,22,0.256).
4456atm(d166,d166_22,c,22,-0.125).
4457atm(d166,d166_23,c,22,-0.125).
4458atm(d166,d166_24,h,3,0.135).
4459atm(d166,d166_25,n,38,0.806).
4460atm(d166,d166_26,o,40,-0.394).
4461atm(d166,d166_27,o,40,-0.394).
4462atm(d166,d166_28,o,49,-0.394).
4463atm(d166,d166_29,c,14,0.706).
4464atm(d166,d166_30,o,51,-0.544).
4465atm(d166,d166_31,c,10,0.005).
4466atm(d166,d166_32,h,3,0.055).
4467atm(d166,d166_33,h,3,0.055).
4468atm(d166,d166_34,h,3,0.055).
4469
4470bond(d166,d166_1,d166_2,7).
4471bond(d166,d166_2,d166_3,7).
4472bond(d166,d166_3,d166_4,7).
4473bond(d166,d166_4,d166_5,7).
4474bond(d166,d166_5,d166_6,7).
4475bond(d166,d166_6,d166_1,7).
4476bond(d166,d166_1,d166_7,1).
4477bond(d166,d166_2,d166_8,1).
4478bond(d166,d166_6,d166_9,1).
4479bond(d166,d166_3,d166_10,7).
4480bond(d166,d166_10,d166_11,7).
4481bond(d166,d166_11,d166_12,7).
4482bond(d166,d166_12,d166_13,7).
4483bond(d166,d166_13,d166_4,7).
4484bond(d166,d166_10,d166_14,1).
4485bond(d166,d166_11,d166_15,1).
4486bond(d166,d166_13,d166_16,7).
4487bond(d166,d166_16,d166_17,7).
4488bond(d166,d166_17,d166_18,7).
4489bond(d166,d166_18,d166_5,7).
4490bond(d166,d166_17,d166_19,1).
4491bond(d166,d166_18,d166_20,1).
4492bond(d166,d166_12,d166_21,7).
4493bond(d166,d166_21,d166_22,7).
4494bond(d166,d166_22,d166_23,7).
4495bond(d166,d166_23,d166_16,7).
4496bond(d166,d166_22,d166_24,1).
4497bond(d166,d166_23,d166_25,1).
4498bond(d166,d166_25,d166_26,2).
4499bond(d166,d166_25,d166_27,2).
4500bond(d166,d166_21,d166_28,1).
4501bond(d166,d166_28,d166_29,1).
4502bond(d166,d166_29,d166_30,2).
4503bond(d166,d166_29,d166_31,1).
4504bond(d166,d166_31,d166_32,1).
4505bond(d166,d166_31,d166_33,1).
4506bond(d166,d166_31,d166_34,1).
4507atm(d167,d167_1,c,22,-0.115).
4508atm(d167,d167_2,c,22,-0.115).
4509atm(d167,d167_3,c,27,0.015).
4510atm(d167,d167_4,c,27,-0.085).
4511atm(d167,d167_5,c,27,0.015).
4512atm(d167,d167_6,c,22,-0.115).
4513atm(d167,d167_7,h,3,0.145).
4514atm(d167,d167_8,h,3,0.146).
4515atm(d167,d167_9,c,22,-0.115).
4516atm(d167,d167_10,c,22,-0.115).
4517atm(d167,d167_11,c,27,0.015).
4518atm(d167,d167_12,c,27,-0.085).
4519atm(d167,d167_13,h,3,0.146).
4520atm(d167,d167_14,h,3,0.146).
4521atm(d167,d167_15,c,27,0.015).
4522atm(d167,d167_16,c,22,-0.115).
4523atm(d167,d167_17,c,22,-0.115).
4524atm(d167,d167_18,h,3,0.145).
4525atm(d167,d167_19,h,3,0.145).
4526atm(d167,d167_20,c,22,-0.115).
4527atm(d167,d167_21,c,22,-0.115).
4528atm(d167,d167_22,c,22,-0.115).
4529atm(d167,d167_23,h,3,0.146).
4530atm(d167,d167_24,h,3,0.145).
4531atm(d167,d167_25,n,38,0.816).
4532atm(d167,d167_26,n,38,0.816).
4533atm(d167,d167_27,o,40,-0.384).
4534atm(d167,d167_28,o,40,-0.384).
4535atm(d167,d167_29,o,40,-0.384).
4536atm(d167,d167_30,o,40,-0.384).
4537
4538bond(d167,d167_1,d167_2,7).
4539bond(d167,d167_2,d167_3,7).
4540bond(d167,d167_3,d167_4,7).
4541bond(d167,d167_4,d167_5,7).
4542bond(d167,d167_5,d167_6,7).
4543bond(d167,d167_6,d167_1,7).
4544bond(d167,d167_1,d167_7,1).
4545bond(d167,d167_6,d167_8,1).
4546bond(d167,d167_3,d167_9,7).
4547bond(d167,d167_9,d167_10,7).
4548bond(d167,d167_10,d167_11,7).
4549bond(d167,d167_11,d167_12,7).
4550bond(d167,d167_12,d167_4,7).
4551bond(d167,d167_9,d167_13,1).
4552bond(d167,d167_10,d167_14,1).
4553bond(d167,d167_12,d167_15,7).
4554bond(d167,d167_15,d167_16,7).
4555bond(d167,d167_16,d167_17,7).
4556bond(d167,d167_17,d167_5,7).
4557bond(d167,d167_16,d167_18,1).
4558bond(d167,d167_17,d167_19,1).
4559bond(d167,d167_11,d167_20,7).
4560bond(d167,d167_20,d167_21,7).
4561bond(d167,d167_21,d167_22,7).
4562bond(d167,d167_22,d167_15,7).
4563bond(d167,d167_20,d167_23,1).
4564bond(d167,d167_21,d167_24,1).
4565bond(d167,d167_22,d167_25,1).
4566bond(d167,d167_2,d167_26,1).
4567bond(d167,d167_25,d167_27,2).
4568bond(d167,d167_25,d167_28,2).
4569bond(d167,d167_26,d167_29,2).
4570bond(d167,d167_26,d167_30,2).
4571atm(d168,d168_1,c,22,-0.133).
4572atm(d168,d168_2,c,22,-0.133).
4573atm(d168,d168_3,c,22,-0.133).
4574atm(d168,d168_4,c,22,-0.133).
4575atm(d168,d168_5,c,22,0.176).
4576atm(d168,d168_6,c,22,-0.134).
4577atm(d168,d168_7,h,3,0.127).
4578atm(d168,d168_8,h,3,0.127).
4579atm(d168,d168_9,h,3,0.127).
4580atm(d168,d168_10,h,3,0.127).
4581atm(d168,d168_11,o,50,-0.234).
4582atm(d168,d168_12,c,10,0.087).
4583atm(d168,d168_13,h,3,0.047).
4584atm(d168,d168_14,h,3,0.047).
4585atm(d168,d168_15,h,3,0.047).
4586atm(d168,d168_16,n,38,0.796).
4587atm(d168,d168_17,o,40,-0.404).
4588atm(d168,d168_18,o,40,-0.404).
4589
4590bond(d168,d168_1,d168_2,7).
4591bond(d168,d168_2,d168_3,7).
4592bond(d168,d168_3,d168_4,7).
4593bond(d168,d168_4,d168_5,7).
4594bond(d168,d168_5,d168_6,7).
4595bond(d168,d168_6,d168_1,7).
4596bond(d168,d168_1,d168_7,1).
4597bond(d168,d168_3,d168_8,1).
4598bond(d168,d168_4,d168_9,1).
4599bond(d168,d168_6,d168_10,1).
4600bond(d168,d168_5,d168_11,1).
4601bond(d168,d168_11,d168_12,1).
4602bond(d168,d168_12,d168_13,1).
4603bond(d168,d168_12,d168_14,1).
4604bond(d168,d168_12,d168_15,1).
4605bond(d168,d168_2,d168_16,1).
4606bond(d168,d168_16,d168_17,2).
4607bond(d168,d168_16,d168_18,2).
4608atm(d169,d169_1,c,22,-0.114).
4609atm(d169,d169_2,c,22,-0.114).
4610atm(d169,d169_3,c,22,-0.114).
4611atm(d169,d169_4,c,22,-0.114).
4612atm(d169,d169_5,c,22,0.316).
4613atm(d169,d169_6,c,22,-0.114).
4614atm(d169,d169_7,h,3,0.146).
4615atm(d169,d169_8,h,3,0.146).
4616atm(d169,d169_9,h,3,0.146).
4617atm(d169,d169_10,f,92,-0.284).
4618atm(d169,d169_11,n,38,0.817).
4619atm(d169,d169_12,n,38,0.817).
4620atm(d169,d169_13,o,40,-0.383).
4621atm(d169,d169_14,o,40,-0.384).
4622atm(d169,d169_15,o,40,-0.384).
4623atm(d169,d169_16,o,40,-0.383).
4624
4625bond(d169,d169_1,d169_2,7).
4626bond(d169,d169_2,d169_3,7).
4627bond(d169,d169_3,d169_4,7).
4628bond(d169,d169_4,d169_5,7).
4629bond(d169,d169_5,d169_6,7).
4630bond(d169,d169_6,d169_1,7).
4631bond(d169,d169_1,d169_7,1).
4632bond(d169,d169_3,d169_8,1).
4633bond(d169,d169_6,d169_9,1).
4634bond(d169,d169_5,d169_10,1).
4635bond(d169,d169_4,d169_11,1).
4636bond(d169,d169_2,d169_12,1).
4637bond(d169,d169_11,d169_13,2).
4638bond(d169,d169_11,d169_14,2).
4639bond(d169,d169_12,d169_15,2).
4640bond(d169,d169_12,d169_16,2).
4641atm(d17,d17_1,c,22,-0.132).
4642atm(d17,d17_2,c,22,-0.132).
4643atm(d17,d17_3,c,22,0.198).
4644atm(d17,d17_4,c,22,-0.132).
4645atm(d17,d17_5,c,22,0.198).
4646atm(d17,d17_6,c,22,-0.132).
4647atm(d17,d17_7,h,3,0.128).
4648atm(d17,d17_8,h,3,0.128).
4649atm(d17,d17_9,h,3,0.128).
4650atm(d17,d17_10,n,38,0.799).
4651atm(d17,d17_11,o,40,-0.401).
4652atm(d17,d17_12,o,40,-0.401).
4653atm(d17,d17_13,n,32,-0.781).
4654atm(d17,d17_14,n,32,-0.781).
4655atm(d17,d17_15,h,1,0.328).
4656atm(d17,d17_16,h,1,0.328).
4657atm(d17,d17_17,h,1,0.328).
4658atm(d17,d17_18,h,1,0.329).
4659
4660bond(d17,d17_1,d17_2,7).
4661bond(d17,d17_2,d17_3,7).
4662bond(d17,d17_3,d17_4,7).
4663bond(d17,d17_4,d17_5,7).
4664bond(d17,d17_5,d17_6,7).
4665bond(d17,d17_6,d17_1,7).
4666bond(d17,d17_1,d17_7,1).
4667bond(d17,d17_2,d17_8,1).
4668bond(d17,d17_6,d17_9,1).
4669bond(d17,d17_4,d17_10,1).
4670bond(d17,d17_11,d17_10,2).
4671bond(d17,d17_10,d17_12,2).
4672bond(d17,d17_13,d17_5,1).
4673bond(d17,d17_3,d17_14,1).
4674bond(d17,d17_13,d17_15,1).
4675bond(d17,d17_13,d17_16,1).
4676bond(d17,d17_14,d17_17,1).
4677bond(d17,d17_14,d17_18,1).
4678atm(d170,d170_1,c,22,-0.148).
4679atm(d170,d170_2,c,22,-0.148).
4680atm(d170,d170_3,c,22,0.182).
4681atm(d170,d170_4,c,22,0.182).
4682atm(d170,d170_5,c,22,-0.148).
4683atm(d170,d170_6,c,22,-0.148).
4684atm(d170,d170_7,h,3,0.112).
4685atm(d170,d170_8,h,3,0.112).
4686atm(d170,d170_9,h,3,0.112).
4687atm(d170,d170_10,h,3,0.112).
4688atm(d170,d170_11,n,32,-0.419).
4689atm(d170,d170_12,c,22,0.182).
4690atm(d170,d170_13,c,22,0.182).
4691atm(d170,d170_14,n,32,-0.418).
4692atm(d170,d170_15,c,22,-0.148).
4693atm(d170,d170_16,c,22,-0.148).
4694atm(d170,d170_17,c,22,-0.148).
4695atm(d170,d170_18,c,22,-0.148).
4696atm(d170,d170_19,h,3,0.112).
4697atm(d170,d170_20,h,3,0.112).
4698atm(d170,d170_21,h,3,0.112).
4699atm(d170,d170_22,h,1,0.282).
4700atm(d170,d170_23,h,1,0.282).
4701atm(d170,d170_24,n,38,0.781).
4702atm(d170,d170_25,o,40,-0.418).
4703atm(d170,d170_26,o,40,-0.418).
4704
4705bond(d170,d170_1,d170_2,7).
4706bond(d170,d170_2,d170_3,7).
4707bond(d170,d170_3,d170_4,7).
4708bond(d170,d170_4,d170_5,7).
4709bond(d170,d170_5,d170_6,7).
4710bond(d170,d170_6,d170_1,7).
4711bond(d170,d170_1,d170_7,1).
4712bond(d170,d170_2,d170_8,1).
4713bond(d170,d170_5,d170_9,1).
4714bond(d170,d170_6,d170_10,1).
4715bond(d170,d170_3,d170_11,1).
4716bond(d170,d170_11,d170_12,1).
4717bond(d170,d170_12,d170_13,7).
4718bond(d170,d170_13,d170_14,1).
4719bond(d170,d170_14,d170_4,1).
4720bond(d170,d170_12,d170_15,7).
4721bond(d170,d170_15,d170_16,7).
4722bond(d170,d170_16,d170_17,7).
4723bond(d170,d170_17,d170_18,7).
4724bond(d170,d170_18,d170_13,7).
4725bond(d170,d170_15,d170_19,1).
4726bond(d170,d170_16,d170_20,1).
4727bond(d170,d170_17,d170_21,1).
4728bond(d170,d170_14,d170_22,1).
4729bond(d170,d170_11,d170_23,1).
4730bond(d170,d170_18,d170_24,1).
4731bond(d170,d170_24,d170_25,2).
4732bond(d170,d170_24,d170_26,2).
4733atm(d171,d171_1,c,22,-0.113).
4734atm(d171,d171_2,c,22,-0.113).
4735atm(d171,d171_3,c,22,-0.113).
4736atm(d171,d171_4,c,29,0.017).
4737atm(d171,d171_5,c,22,-0.113).
4738atm(d171,d171_6,c,22,-0.113).
4739atm(d171,d171_7,h,3,0.147).
4740atm(d171,d171_8,h,3,0.147).
4741atm(d171,d171_9,h,3,0.147).
4742atm(d171,d171_10,c,29,0.017).
4743atm(d171,d171_11,c,22,-0.113).
4744atm(d171,d171_12,c,22,-0.113).
4745atm(d171,d171_13,c,22,-0.113).
4746atm(d171,d171_14,c,22,-0.113).
4747atm(d171,d171_15,c,22,-0.113).
4748atm(d171,d171_16,h,3,0.147).
4749atm(d171,d171_17,h,3,0.147).
4750atm(d171,d171_18,h,3,0.147).
4751atm(d171,d171_19,n,38,0.818).
4752atm(d171,d171_20,n,38,0.818).
4753atm(d171,d171_21,n,38,0.818).
4754atm(d171,d171_22,n,38,0.818).
4755atm(d171,d171_23,o,40,-0.382).
4756atm(d171,d171_24,o,40,-0.382).
4757atm(d171,d171_25,o,40,-0.382).
4758atm(d171,d171_26,o,40,-0.383).
4759atm(d171,d171_27,o,40,-0.383).
4760atm(d171,d171_28,o,40,-0.382).
4761atm(d171,d171_29,o,40,-0.382).
4762atm(d171,d171_30,o,40,-0.382).
4763
4764bond(d171,d171_1,d171_2,7).
4765bond(d171,d171_2,d171_3,7).
4766bond(d171,d171_3,d171_4,7).
4767bond(d171,d171_4,d171_5,7).
4768bond(d171,d171_5,d171_6,7).
4769bond(d171,d171_6,d171_1,7).
4770bond(d171,d171_2,d171_7,1).
4771bond(d171,d171_3,d171_8,1).
4772bond(d171,d171_6,d171_9,1).
4773bond(d171,d171_10,d171_11,7).
4774bond(d171,d171_11,d171_12,7).
4775bond(d171,d171_12,d171_13,7).
4776bond(d171,d171_13,d171_14,7).
4777bond(d171,d171_14,d171_15,7).
4778bond(d171,d171_15,d171_10,7).
4779bond(d171,d171_11,d171_16,1).
4780bond(d171,d171_12,d171_17,1).
4781bond(d171,d171_14,d171_18,1).
4782bond(d171,d171_4,d171_10,1).
4783bond(d171,d171_15,d171_19,1).
4784bond(d171,d171_13,d171_20,1).
4785bond(d171,d171_5,d171_21,1).
4786bond(d171,d171_1,d171_22,1).
4787bond(d171,d171_22,d171_23,2).
4788bond(d171,d171_22,d171_24,2).
4789bond(d171,d171_21,d171_25,2).
4790bond(d171,d171_21,d171_26,2).
4791bond(d171,d171_19,d171_27,2).
4792bond(d171,d171_19,d171_28,2).
4793bond(d171,d171_20,d171_29,2).
4794bond(d171,d171_20,d171_30,2).
4795atm(d172,d172_1,c,22,-0.115).
4796atm(d172,d172_2,c,22,-0.115).
4797atm(d172,d172_3,c,26,0.315).
4798atm(d172,d172_4,c,26,0.115).
4799atm(d172,d172_5,c,22,-0.115).
4800atm(d172,d172_6,c,22,-0.115).
4801atm(d172,d172_7,n,34,-0.384).
4802atm(d172,d172_8,n,34,-0.384).
4803atm(d172,d172_9,c,21,-0.115).
4804atm(d172,d172_10,n,38,0.816).
4805atm(d172,d172_11,o,40,-0.384).
4806atm(d172,d172_12,o,40,-0.384).
4807atm(d172,d172_13,h,1,0.315).
4808atm(d172,d172_14,h,3,0.145).
4809atm(d172,d172_15,h,3,0.115).
4810atm(d172,d172_16,h,3,0.145).
4811atm(d172,d172_17,h,3,0.145).
4812
4813bond(d172,d172_1,d172_2,7).
4814bond(d172,d172_2,d172_3,7).
4815bond(d172,d172_3,d172_4,7).
4816bond(d172,d172_4,d172_5,7).
4817bond(d172,d172_5,d172_6,7).
4818bond(d172,d172_6,d172_1,7).
4819bond(d172,d172_3,d172_7,7).
4820bond(d172,d172_7,d172_8,7).
4821bond(d172,d172_4,d172_9,7).
4822bond(d172,d172_9,d172_8,7).
4823bond(d172,d172_1,d172_10,1).
4824bond(d172,d172_10,d172_11,2).
4825bond(d172,d172_10,d172_12,2).
4826bond(d172,d172_7,d172_13,1).
4827bond(d172,d172_2,d172_14,1).
4828bond(d172,d172_5,d172_15,1).
4829bond(d172,d172_6,d172_16,1).
4830bond(d172,d172_9,d172_17,1).
4831atm(d173,d173_1,c,29,0.014).
4832atm(d173,d173_2,c,22,-0.116).
4833atm(d173,d173_3,c,22,-0.116).
4834atm(d173,d173_4,c,22,-0.116).
4835atm(d173,d173_5,c,22,-0.116).
4836atm(d173,d173_6,c,22,-0.116).
4837atm(d173,d173_7,h,3,0.144).
4838atm(d173,d173_8,h,3,0.144).
4839atm(d173,d173_9,h,3,0.144).
4840atm(d173,d173_10,c,22,-0.116).
4841atm(d173,d173_11,c,22,-0.116).
4842atm(d173,d173_12,c,22,-0.116).
4843atm(d173,d173_13,c,29,0.014).
4844atm(d173,d173_14,c,22,-0.116).
4845atm(d173,d173_15,c,22,-0.116).
4846atm(d173,d173_16,h,3,0.144).
4847atm(d173,d173_17,h,3,0.144).
4848atm(d173,d173_18,h,3,0.144).
4849atm(d173,d173_19,h,3,0.144).
4850atm(d173,d173_20,n,38,0.813).
4851atm(d173,d173_21,n,38,0.813).
4852atm(d173,d173_22,n,38,0.814).
4853atm(d173,d173_23,o,40,-0.386).
4854atm(d173,d173_24,o,40,-0.386).
4855atm(d173,d173_25,o,40,-0.386).
4856atm(d173,d173_26,o,40,-0.386).
4857atm(d173,d173_27,o,40,-0.386).
4858atm(d173,d173_28,o,40,-0.386).
4859
4860bond(d173,d173_1,d173_2,7).
4861bond(d173,d173_2,d173_3,7).
4862bond(d173,d173_3,d173_4,7).
4863bond(d173,d173_4,d173_5,7).
4864bond(d173,d173_5,d173_6,7).
4865bond(d173,d173_6,d173_1,7).
4866bond(d173,d173_2,d173_7,1).
4867bond(d173,d173_3,d173_8,1).
4868bond(d173,d173_6,d173_9,1).
4869bond(d173,d173_10,d173_11,7).
4870bond(d173,d173_11,d173_12,7).
4871bond(d173,d173_12,d173_13,7).
4872bond(d173,d173_13,d173_14,7).
4873bond(d173,d173_14,d173_15,7).
4874bond(d173,d173_15,d173_10,7).
4875bond(d173,d173_11,d173_16,1).
4876bond(d173,d173_12,d173_17,1).
4877bond(d173,d173_14,d173_18,1).
4878bond(d173,d173_15,d173_19,1).
4879bond(d173,d173_13,d173_1,1).
4880bond(d173,d173_5,d173_20,1).
4881bond(d173,d173_4,d173_21,1).
4882bond(d173,d173_10,d173_22,1).
4883bond(d173,d173_22,d173_23,2).
4884bond(d173,d173_22,d173_24,2).
4885bond(d173,d173_20,d173_25,2).
4886bond(d173,d173_20,d173_26,2).
4887bond(d173,d173_21,d173_27,2).
4888bond(d173,d173_21,d173_28,2).
4889atm(d174,d174_1,c,22,-0.118).
4890atm(d174,d174_2,c,22,-0.118).
4891atm(d174,d174_3,c,27,0.012).
4892atm(d174,d174_4,c,27,-0.088).
4893atm(d174,d174_5,c,28,0.012).
4894atm(d174,d174_6,c,22,-0.118).
4895atm(d174,d174_7,h,3,0.142).
4896atm(d174,d174_8,h,3,0.142).
4897atm(d174,d174_9,h,3,0.142).
4898atm(d174,d174_10,c,22,-0.118).
4899atm(d174,d174_11,c,22,-0.118).
4900atm(d174,d174_12,c,22,-0.118).
4901atm(d174,d174_13,c,29,0.012).
4902atm(d174,d174_14,h,3,0.142).
4903atm(d174,d174_15,h,3,0.142).
4904atm(d174,d174_16,c,28,0.012).
4905atm(d174,d174_17,c,28,0.012).
4906atm(d174,d174_18,c,22,-0.118).
4907atm(d174,d174_19,c,22,-0.118).
4908atm(d174,d174_20,c,22,-0.118).
4909atm(d174,d174_21,c,22,-0.118).
4910atm(d174,d174_22,h,3,0.142).
4911atm(d174,d174_23,h,3,0.142).
4912atm(d174,d174_24,h,3,0.142).
4913atm(d174,d174_25,n,38,0.812).
4914atm(d174,d174_26,n,38,0.812).
4915atm(d174,d174_27,o,40,-0.388).
4916atm(d174,d174_28,o,40,-0.388).
4917atm(d174,d174_29,o,40,-0.388).
4918atm(d174,d174_30,o,40,-0.388).
4919
4920bond(d174,d174_1,d174_2,7).
4921bond(d174,d174_2,d174_3,7).
4922bond(d174,d174_3,d174_4,7).
4923bond(d174,d174_4,d174_5,7).
4924bond(d174,d174_5,d174_6,7).
4925bond(d174,d174_6,d174_1,7).
4926bond(d174,d174_1,d174_7,1).
4927bond(d174,d174_2,d174_8,1).
4928bond(d174,d174_6,d174_9,1).
4929bond(d174,d174_3,d174_10,7).
4930bond(d174,d174_10,d174_11,7).
4931bond(d174,d174_11,d174_12,7).
4932bond(d174,d174_12,d174_13,7).
4933bond(d174,d174_13,d174_4,7).
4934bond(d174,d174_11,d174_14,1).
4935bond(d174,d174_12,d174_15,1).
4936bond(d174,d174_16,d174_17,7).
4937bond(d174,d174_17,d174_18,7).
4938bond(d174,d174_18,d174_19,7).
4939bond(d174,d174_19,d174_20,7).
4940bond(d174,d174_20,d174_21,7).
4941bond(d174,d174_21,d174_16,7).
4942bond(d174,d174_18,d174_22,1).
4943bond(d174,d174_20,d174_23,1).
4944bond(d174,d174_21,d174_24,1).
4945bond(d174,d174_16,d174_5,1).
4946bond(d174,d174_17,d174_13,1).
4947bond(d174,d174_10,d174_25,1).
4948bond(d174,d174_19,d174_26,1).
4949bond(d174,d174_25,d174_27,2).
4950bond(d174,d174_25,d174_28,2).
4951bond(d174,d174_26,d174_29,2).
4952bond(d174,d174_26,d174_30,2).
4953atm(d175,d175_1,c,22,-0.067).
4954atm(d175,d175_2,c,22,-0.067).
4955atm(d175,d175_3,c,22,0.244).
4956atm(d175,d175_4,c,22,0.244).
4957atm(d175,d175_5,c,22,-0.067).
4958atm(d175,d175_6,c,22,-0.067).
4959atm(d175,d175_7,h,3,0.194).
4960atm(d175,d175_8,h,3,0.193).
4961atm(d175,d175_9,o,50,-0.167).
4962atm(d175,d175_10,c,22,0.244).
4963atm(d175,d175_11,c,22,0.244).
4964atm(d175,d175_12,o,50,-0.167).
4965atm(d175,d175_13,c,22,-0.067).
4966atm(d175,d175_14,c,22,-0.067).
4967atm(d175,d175_15,c,22,-0.067).
4968atm(d175,d175_16,c,22,-0.067).
4969atm(d175,d175_17,n,38,0.864).
4970atm(d175,d175_18,o,40,-0.336).
4971atm(d175,d175_19,o,40,-0.336).
4972atm(d175,d175_20,cl,93,-0.137).
4973atm(d175,d175_21,cl,93,-0.137).
4974atm(d175,d175_22,cl,93,-0.137).
4975atm(d175,d175_23,cl,93,-0.137).
4976atm(d175,d175_24,cl,93,-0.137).
4977
4978bond(d175,d175_1,d175_2,7).
4979bond(d175,d175_2,d175_3,7).
4980bond(d175,d175_3,d175_4,7).
4981bond(d175,d175_4,d175_5,7).
4982bond(d175,d175_5,d175_6,7).
4983bond(d175,d175_6,d175_1,7).
4984bond(d175,d175_2,d175_7,1).
4985bond(d175,d175_5,d175_8,1).
4986bond(d175,d175_3,d175_9,1).
4987bond(d175,d175_9,d175_10,1).
4988bond(d175,d175_10,d175_11,7).
4989bond(d175,d175_11,d175_12,1).
4990bond(d175,d175_12,d175_4,1).
4991bond(d175,d175_10,d175_13,7).
4992bond(d175,d175_13,d175_14,7).
4993bond(d175,d175_14,d175_15,7).
4994bond(d175,d175_15,d175_16,7).
4995bond(d175,d175_16,d175_11,7).
4996bond(d175,d175_14,d175_17,1).
4997bond(d175,d175_17,d175_18,2).
4998bond(d175,d175_17,d175_19,2).
4999bond(d175,d175_16,d175_20,1).
5000bond(d175,d175_15,d175_21,1).
5001bond(d175,d175_13,d175_22,1).
5002bond(d175,d175_1,d175_23,1).
5003bond(d175,d175_6,d175_24,1).
5004atm(d176,d176_1,c,22,-0.122).
5005atm(d176,d176_2,c,22,-0.122).
5006atm(d176,d176_3,c,22,-0.122).
5007atm(d176,d176_4,c,22,0.108).
5008atm(d176,d176_5,c,22,-0.122).
5009atm(d176,d176_6,c,22,-0.122).
5010atm(d176,d176_7,h,3,0.139).
5011atm(d176,d176_8,h,3,0.139).
5012atm(d176,d176_9,h,3,0.139).
5013atm(d176,d176_10,c,10,0.108).
5014atm(d176,d176_11,c,16,-0.191).
5015atm(d176,d176_12,h,3,0.058).
5016atm(d176,d176_13,h,3,0.058).
5017atm(d176,d176_14,c,16,-0.191).
5018atm(d176,d176_15,h,3,0.108).
5019atm(d176,d176_16,h,3,0.108).
5020atm(d176,d176_17,n,38,0.809).
5021atm(d176,d176_18,o,40,-0.391).
5022atm(d176,d176_19,o,40,-0.391).
5023
5024bond(d176,d176_1,d176_2,7).
5025bond(d176,d176_2,d176_3,7).
5026bond(d176,d176_3,d176_4,7).
5027bond(d176,d176_4,d176_5,7).
5028bond(d176,d176_5,d176_6,7).
5029bond(d176,d176_6,d176_1,7).
5030bond(d176,d176_2,d176_7,1).
5031bond(d176,d176_5,d176_8,1).
5032bond(d176,d176_6,d176_9,1).
5033bond(d176,d176_3,d176_10,1).
5034bond(d176,d176_10,d176_11,1).
5035bond(d176,d176_10,d176_12,1).
5036bond(d176,d176_10,d176_13,1).
5037bond(d176,d176_4,d176_14,1).
5038bond(d176,d176_14,d176_11,2).
5039bond(d176,d176_14,d176_15,1).
5040bond(d176,d176_11,d176_16,1).
5041bond(d176,d176_1,d176_17,1).
5042bond(d176,d176_17,d176_18,2).
5043bond(d176,d176_17,d176_19,2).
5044atm(d177,d177_1,c,22,-0.142).
5045atm(d177,d177_2,c,22,-0.142).
5046atm(d177,d177_3,c,22,0.188).
5047atm(d177,d177_4,c,22,0.188).
5048atm(d177,d177_5,c,22,-0.142).
5049atm(d177,d177_6,c,22,-0.142).
5050atm(d177,d177_7,h,3,0.118).
5051atm(d177,d177_8,h,3,0.118).
5052atm(d177,d177_9,h,3,0.118).
5053atm(d177,d177_10,n,32,-0.412).
5054atm(d177,d177_11,c,22,0.188).
5055atm(d177,d177_12,c,22,0.188).
5056atm(d177,d177_13,n,32,-0.412).
5057atm(d177,d177_14,c,22,-0.142).
5058atm(d177,d177_15,c,22,-0.142).
5059atm(d177,d177_16,c,22,-0.142).
5060atm(d177,d177_17,c,22,-0.142).
5061atm(d177,d177_18,h,3,0.118).
5062atm(d177,d177_19,h,3,0.118).
5063atm(d177,d177_20,h,3,0.118).
5064atm(d177,d177_21,h,1,0.288).
5065atm(d177,d177_22,h,1,0.288).
5066atm(d177,d177_23,n,38,0.787).
5067atm(d177,d177_24,n,38,0.787).
5068atm(d177,d177_25,o,40,-0.413).
5069atm(d177,d177_26,o,40,-0.413).
5070atm(d177,d177_27,o,40,-0.412).
5071atm(d177,d177_28,o,40,-0.412).
5072
5073bond(d177,d177_1,d177_2,7).
5074bond(d177,d177_2,d177_3,7).
5075bond(d177,d177_3,d177_4,7).
5076bond(d177,d177_4,d177_5,7).
5077bond(d177,d177_5,d177_6,7).
5078bond(d177,d177_6,d177_1,7).
5079bond(d177,d177_1,d177_7,1).
5080bond(d177,d177_2,d177_8,1).
5081bond(d177,d177_6,d177_9,1).
5082bond(d177,d177_3,d177_10,1).
5083bond(d177,d177_10,d177_11,1).
5084bond(d177,d177_11,d177_12,7).
5085bond(d177,d177_12,d177_13,1).
5086bond(d177,d177_13,d177_4,1).
5087bond(d177,d177_11,d177_14,7).
5088bond(d177,d177_14,d177_15,7).
5089bond(d177,d177_15,d177_16,7).
5090bond(d177,d177_16,d177_17,7).
5091bond(d177,d177_17,d177_12,7).
5092bond(d177,d177_14,d177_18,1).
5093bond(d177,d177_15,d177_19,1).
5094bond(d177,d177_16,d177_20,1).
5095bond(d177,d177_13,d177_21,1).
5096bond(d177,d177_10,d177_22,1).
5097bond(d177,d177_17,d177_23,1).
5098bond(d177,d177_5,d177_24,1).
5099bond(d177,d177_24,d177_25,2).
5100bond(d177,d177_24,d177_26,2).
5101bond(d177,d177_23,d177_27,2).
5102bond(d177,d177_23,d177_28,2).
5103atm(d178,d178_1,c,22,-0.152).
5104atm(d178,d178_2,c,22,-0.152).
5105atm(d178,d178_3,c,22,0.177).
5106atm(d178,d178_4,c,22,0.078).
5107atm(d178,d178_5,c,22,-0.152).
5108atm(d178,d178_6,c,22,-0.152).
5109atm(d178,d178_7,h,3,0.108).
5110atm(d178,d178_8,h,3,0.108).
5111atm(d178,d178_9,h,3,0.108).
5112atm(d178,d178_10,n,32,-0.423).
5113atm(d178,d178_11,n,32,-0.423).
5114atm(d178,d178_12,c,14,0.577).
5115atm(d178,d178_13,h,3,0.028).
5116atm(d178,d178_14,h,1,0.277).
5117atm(d178,d178_15,c,10,-0.022).
5118atm(d178,d178_16,h,3,0.028).
5119atm(d178,d178_17,h,3,0.028).
5120atm(d178,d178_18,h,3,0.028).
5121atm(d178,d178_19,n,38,0.777).
5122atm(d178,d178_20,o,40,-0.423).
5123atm(d178,d178_21,o,40,-0.423).
5124
5125bond(d178,d178_1,d178_2,7).
5126bond(d178,d178_2,d178_3,7).
5127bond(d178,d178_3,d178_4,7).
5128bond(d178,d178_4,d178_5,7).
5129bond(d178,d178_5,d178_6,7).
5130bond(d178,d178_6,d178_1,7).
5131bond(d178,d178_1,d178_7,1).
5132bond(d178,d178_5,d178_8,1).
5133bond(d178,d178_6,d178_9,1).
5134bond(d178,d178_3,d178_10,1).
5135bond(d178,d178_10,d178_11,1).
5136bond(d178,d178_4,d178_12,1).
5137bond(d178,d178_12,d178_11,2).
5138bond(d178,d178_12,d178_13,1).
5139bond(d178,d178_10,d178_14,1).
5140bond(d178,d178_11,d178_15,1).
5141bond(d178,d178_15,d178_16,1).
5142bond(d178,d178_15,d178_17,1).
5143bond(d178,d178_15,d178_18,1).
5144bond(d178,d178_2,d178_19,1).
5145bond(d178,d178_19,d178_20,2).
5146bond(d178,d178_19,d178_21,2).
5147atm(d179,d179_1,c,22,-0.126).
5148atm(d179,d179_2,c,22,-0.126).
5149atm(d179,d179_3,c,22,-0.126).
5150atm(d179,d179_4,c,22,-0.126).
5151atm(d179,d179_5,c,22,0.104).
5152atm(d179,d179_6,c,22,-0.126).
5153atm(d179,d179_7,h,3,0.134).
5154atm(d179,d179_8,h,3,0.133).
5155atm(d179,d179_9,h,3,0.133).
5156atm(d179,d179_10,h,3,0.133).
5157atm(d179,d179_11,c,16,-0.197).
5158atm(d179,d179_12,c,16,0.104).
5159atm(d179,d179_13,h,3,0.104).
5160atm(d179,d179_14,o,50,-0.227).
5161atm(d179,d179_15,h,3,0.104).
5162atm(d179,d179_16,c,22,0.183).
5163atm(d179,d179_17,c,22,-0.126).
5164atm(d179,d179_18,c,22,-0.126).
5165atm(d179,d179_19,c,22,-0.126).
5166atm(d179,d179_20,c,22,-0.126).
5167atm(d179,d179_21,c,22,-0.126).
5168atm(d179,d179_22,h,3,0.133).
5169atm(d179,d179_23,h,3,0.133).
5170atm(d179,d179_24,h,3,0.134).
5171atm(d179,d179_25,h,3,0.134).
5172atm(d179,d179_26,n,38,0.803).
5173atm(d179,d179_27,o,40,-0.397).
5174atm(d179,d179_28,o,40,-0.397).
5175atm(d179,d179_29,n,38,0.803).
5176atm(d179,d179_30,o,40,-0.397).
5177atm(d179,d179_31,o,40,-0.397).
5178
5179bond(d179,d179_1,d179_2,7).
5180bond(d179,d179_2,d179_3,7).
5181bond(d179,d179_3,d179_4,7).
5182bond(d179,d179_4,d179_5,7).
5183bond(d179,d179_5,d179_6,7).
5184bond(d179,d179_6,d179_1,7).
5185bond(d179,d179_1,d179_7,1).
5186bond(d179,d179_3,d179_8,1).
5187bond(d179,d179_4,d179_9,1).
5188bond(d179,d179_6,d179_10,1).
5189bond(d179,d179_5,d179_11,1).
5190bond(d179,d179_11,d179_12,2).
5191bond(d179,d179_11,d179_13,1).
5192bond(d179,d179_12,d179_14,1).
5193bond(d179,d179_12,d179_15,1).
5194bond(d179,d179_14,d179_16,1).
5195bond(d179,d179_16,d179_17,7).
5196bond(d179,d179_17,d179_18,7).
5197bond(d179,d179_18,d179_19,7).
5198bond(d179,d179_19,d179_20,7).
5199bond(d179,d179_20,d179_21,7).
5200bond(d179,d179_21,d179_16,7).
5201bond(d179,d179_17,d179_22,1).
5202bond(d179,d179_18,d179_23,1).
5203bond(d179,d179_20,d179_24,1).
5204bond(d179,d179_21,d179_25,1).
5205bond(d179,d179_2,d179_26,1).
5206bond(d179,d179_26,d179_27,2).
5207bond(d179,d179_26,d179_28,2).
5208bond(d179,d179_19,d179_29,1).
5209bond(d179,d179_29,d179_30,2).
5210bond(d179,d179_29,d179_31,2).
5211atm(d18,d18_1,c,22,-0.133).
5212atm(d18,d18_2,c,22,-0.133).
5213atm(d18,d18_3,c,22,0.097).
5214atm(d18,d18_4,c,29,-0.003).
5215atm(d18,d18_5,c,22,-0.133).
5216atm(d18,d18_6,c,22,-0.133).
5217atm(d18,d18_7,c,22,0.097).
5218atm(d18,d18_8,c,22,-0.133).
5219atm(d18,d18_9,c,22,-0.133).
5220atm(d18,d18_10,c,22,-0.133).
5221atm(d18,d18_11,c,22,-0.133).
5222atm(d18,d18_12,c,29,-0.003).
5223atm(d18,d18_13,c,14,0.547).
5224atm(d18,d18_14,o,40,-0.552).
5225atm(d18,d18_15,n,38,0.798).
5226atm(d18,d18_16,o,40,-0.403).
5227atm(d18,d18_17,o,40,-0.403).
5228atm(d18,d18_18,h,3,0.127).
5229atm(d18,d18_19,h,3,0.127).
5230atm(d18,d18_20,h,3,0.127).
5231atm(d18,d18_21,h,3,0.127).
5232atm(d18,d18_22,h,3,0.127).
5233atm(d18,d18_23,h,3,0.127).
5234atm(d18,d18_24,h,3,0.127).
5235
5236bond(d18,d18_1,d18_2,7).
5237bond(d18,d18_2,d18_3,7).
5238bond(d18,d18_3,d18_4,7).
5239bond(d18,d18_4,d18_5,7).
5240bond(d18,d18_5,d18_6,7).
5241bond(d18,d18_6,d18_1,7).
5242bond(d18,d18_7,d18_8,7).
5243bond(d18,d18_8,d18_9,7).
5244bond(d18,d18_9,d18_10,7).
5245bond(d18,d18_10,d18_11,7).
5246bond(d18,d18_11,d18_12,7).
5247bond(d18,d18_12,d18_7,7).
5248bond(d18,d18_4,d18_12,1).
5249bond(d18,d18_3,d18_13,1).
5250bond(d18,d18_13,d18_7,1).
5251bond(d18,d18_13,d18_14,2).
5252bond(d18,d18_10,d18_15,1).
5253bond(d18,d18_16,d18_15,2).
5254bond(d18,d18_15,d18_17,2).
5255bond(d18,d18_1,d18_18,1).
5256bond(d18,d18_2,d18_19,1).
5257bond(d18,d18_5,d18_20,1).
5258bond(d18,d18_6,d18_21,1).
5259bond(d18,d18_8,d18_22,1).
5260bond(d18,d18_9,d18_23,1).
5261bond(d18,d18_11,d18_24,1).
5262atm(d180,d180_1,c,22,-0.113).
5263atm(d180,d180_2,c,22,-0.113).
5264atm(d180,d180_3,c,22,-0.113).
5265atm(d180,d180_4,c,29,0.017).
5266atm(d180,d180_5,c,27,-0.083).
5267atm(d180,d180_6,c,27,0.017).
5268atm(d180,d180_7,c,27,-0.083).
5269atm(d180,d180_8,c,27,0.017).
5270atm(d180,d180_9,c,22,-0.113).
5271atm(d180,d180_10,c,22,-0.113).
5272atm(d180,d180_11,c,27,-0.083).
5273atm(d180,d180_12,c,27,0.017).
5274atm(d180,d180_13,c,22,-0.113).
5275atm(d180,d180_14,c,22,-0.113).
5276atm(d180,d180_15,c,27,-0.083).
5277atm(d180,d180_16,c,27,0.017).
5278atm(d180,d180_17,c,22,-0.113).
5279atm(d180,d180_18,c,22,-0.113).
5280atm(d180,d180_19,c,29,0.017).
5281atm(d180,d180_20,c,22,-0.113).
5282atm(d180,d180_21,c,22,-0.113).
5283atm(d180,d180_22,c,22,-0.113).
5284atm(d180,d180_23,n,38,0.818).
5285atm(d180,d180_24,n,38,0.818).
5286atm(d180,d180_25,o,40,-0.382).
5287atm(d180,d180_26,o,40,-0.382).
5288atm(d180,d180_27,o,40,-0.382).
5289atm(d180,d180_28,o,40,-0.382).
5290atm(d180,d180_29,h,3,0.148).
5291atm(d180,d180_30,h,3,0.148).
5292atm(d180,d180_31,h,3,0.148).
5293atm(d180,d180_32,h,3,0.147).
5294atm(d180,d180_33,h,3,0.147).
5295atm(d180,d180_34,h,3,0.148).
5296atm(d180,d180_35,h,3,0.148).
5297atm(d180,d180_36,h,3,0.148).
5298atm(d180,d180_37,h,3,0.148).
5299atm(d180,d180_38,h,3,0.148).
5300
5301bond(d180,d180_1,d180_2,7).
5302bond(d180,d180_2,d180_3,7).
5303bond(d180,d180_3,d180_4,7).
5304bond(d180,d180_4,d180_5,7).
5305bond(d180,d180_5,d180_6,7).
5306bond(d180,d180_6,d180_1,7).
5307bond(d180,d180_5,d180_7,7).
5308bond(d180,d180_7,d180_8,7).
5309bond(d180,d180_8,d180_9,7).
5310bond(d180,d180_9,d180_10,7).
5311bond(d180,d180_10,d180_6,7).
5312bond(d180,d180_7,d180_11,7).
5313bond(d180,d180_11,d180_12,7).
5314bond(d180,d180_12,d180_13,7).
5315bond(d180,d180_13,d180_14,7).
5316bond(d180,d180_14,d180_8,7).
5317bond(d180,d180_11,d180_15,7).
5318bond(d180,d180_15,d180_16,7).
5319bond(d180,d180_16,d180_17,7).
5320bond(d180,d180_17,d180_18,7).
5321bond(d180,d180_18,d180_12,7).
5322bond(d180,d180_15,d180_19,7).
5323bond(d180,d180_19,d180_20,7).
5324bond(d180,d180_20,d180_21,7).
5325bond(d180,d180_21,d180_22,7).
5326bond(d180,d180_22,d180_16,7).
5327bond(d180,d180_4,d180_19,1).
5328bond(d180,d180_22,d180_23,1).
5329bond(d180,d180_3,d180_24,1).
5330bond(d180,d180_23,d180_25,2).
5331bond(d180,d180_23,d180_26,2).
5332bond(d180,d180_24,d180_27,2).
5333bond(d180,d180_24,d180_28,2).
5334bond(d180,d180_1,d180_29,1).
5335bond(d180,d180_2,d180_30,1).
5336bond(d180,d180_9,d180_31,1).
5337bond(d180,d180_10,d180_32,1).
5338bond(d180,d180_13,d180_33,1).
5339bond(d180,d180_14,d180_34,1).
5340bond(d180,d180_17,d180_35,1).
5341bond(d180,d180_18,d180_36,1).
5342bond(d180,d180_20,d180_37,1).
5343bond(d180,d180_21,d180_38,1).
5344atm(d181,d181_1,c,22,-0.132).
5345atm(d181,d181_2,c,22,0.198).
5346atm(d181,d181_3,c,22,-0.132).
5347atm(d181,d181_4,c,22,-0.132).
5348atm(d181,d181_5,c,22,0.198).
5349atm(d181,d181_6,c,22,-0.132).
5350atm(d181,d181_7,h,3,0.128).
5351atm(d181,d181_8,h,3,0.128).
5352atm(d181,d181_9,h,3,0.128).
5353atm(d181,d181_10,n,32,-0.781).
5354atm(d181,d181_11,n,32,-0.781).
5355atm(d181,d181_12,n,38,0.799).
5356atm(d181,d181_13,o,40,-0.401).
5357atm(d181,d181_14,o,40,-0.401).
5358atm(d181,d181_15,h,1,0.328).
5359atm(d181,d181_16,h,1,0.328).
5360atm(d181,d181_17,h,1,0.328).
5361atm(d181,d181_18,h,1,0.329).
5362
5363bond(d181,d181_1,d181_2,7).
5364bond(d181,d181_2,d181_3,7).
5365bond(d181,d181_3,d181_4,7).
5366bond(d181,d181_4,d181_5,7).
5367bond(d181,d181_5,d181_6,7).
5368bond(d181,d181_6,d181_1,7).
5369bond(d181,d181_1,d181_7,1).
5370bond(d181,d181_3,d181_8,1).
5371bond(d181,d181_6,d181_9,1).
5372bond(d181,d181_5,d181_10,1).
5373bond(d181,d181_2,d181_11,1).
5374bond(d181,d181_4,d181_12,1).
5375bond(d181,d181_12,d181_13,2).
5376bond(d181,d181_12,d181_14,2).
5377bond(d181,d181_10,d181_15,1).
5378bond(d181,d181_10,d181_16,1).
5379bond(d181,d181_11,d181_17,1).
5380bond(d181,d181_11,d181_18,1).
5381atm(d182,d182_1,c,22,-0.114).
5382atm(d182,d182_2,c,22,-0.114).
5383atm(d182,d182_3,c,27,-0.084).
5384atm(d182,d182_4,c,27,0.016).
5385atm(d182,d182_5,c,22,-0.114).
5386atm(d182,d182_6,c,22,-0.114).
5387atm(d182,d182_7,h,3,0.146).
5388atm(d182,d182_8,h,3,0.146).
5389atm(d182,d182_9,h,3,0.146).
5390atm(d182,d182_10,n,35,-0.755).
5391atm(d182,d182_11,c,22,0.516).
5392atm(d182,d182_12,c,22,-0.114).
5393atm(d182,d182_13,c,22,-0.114).
5394atm(d182,d182_14,h,3,0.146).
5395atm(d182,d182_15,h,3,0.146).
5396atm(d182,d182_16,c,10,0.016).
5397atm(d182,d182_17,h,3,0.066).
5398atm(d182,d182_18,h,3,0.066).
5399atm(d182,d182_19,h,3,0.066).
5400atm(d182,d182_20,n,38,0.815).
5401atm(d182,d182_21,o,40,-0.384).
5402atm(d182,d182_22,o,40,-0.384).
5403
5404bond(d182,d182_1,d182_2,7).
5405bond(d182,d182_2,d182_3,7).
5406bond(d182,d182_3,d182_4,7).
5407bond(d182,d182_4,d182_5,7).
5408bond(d182,d182_5,d182_6,7).
5409bond(d182,d182_6,d182_1,7).
5410bond(d182,d182_1,d182_7,1).
5411bond(d182,d182_5,d182_8,1).
5412bond(d182,d182_6,d182_9,1).
5413bond(d182,d182_3,d182_10,7).
5414bond(d182,d182_10,d182_11,7).
5415bond(d182,d182_11,d182_12,7).
5416bond(d182,d182_12,d182_13,7).
5417bond(d182,d182_13,d182_4,7).
5418bond(d182,d182_12,d182_14,1).
5419bond(d182,d182_13,d182_15,1).
5420bond(d182,d182_11,d182_16,1).
5421bond(d182,d182_16,d182_17,1).
5422bond(d182,d182_16,d182_18,1).
5423bond(d182,d182_16,d182_19,1).
5424bond(d182,d182_2,d182_20,1).
5425bond(d182,d182_20,d182_21,2).
5426bond(d182,d182_20,d182_22,2).
5427atm(d183,d183_1,c,22,-0.115).
5428atm(d183,d183_2,c,22,-0.115).
5429atm(d183,d183_3,c,27,0.015).
5430atm(d183,d183_4,c,27,-0.085).
5431atm(d183,d183_5,c,27,0.015).
5432atm(d183,d183_6,c,22,-0.115).
5433atm(d183,d183_7,h,3,0.145).
5434atm(d183,d183_8,h,3,0.146).
5435atm(d183,d183_9,c,22,-0.115).
5436atm(d183,d183_10,c,22,-0.115).
5437atm(d183,d183_11,c,27,0.015).
5438atm(d183,d183_12,c,27,-0.085).
5439atm(d183,d183_13,h,3,0.146).
5440atm(d183,d183_14,h,3,0.146).
5441atm(d183,d183_15,c,27,0.015).
5442atm(d183,d183_16,c,22,-0.115).
5443atm(d183,d183_17,c,22,-0.115).
5444atm(d183,d183_18,h,3,0.145).
5445atm(d183,d183_19,h,3,0.145).
5446atm(d183,d183_20,c,22,-0.115).
5447atm(d183,d183_21,c,22,-0.115).
5448atm(d183,d183_22,c,22,-0.115).
5449atm(d183,d183_23,h,3,0.146).
5450atm(d183,d183_24,h,3,0.145).
5451atm(d183,d183_25,n,38,0.816).
5452atm(d183,d183_26,n,38,0.816).
5453atm(d183,d183_27,o,40,-0.384).
5454atm(d183,d183_28,o,40,-0.384).
5455atm(d183,d183_29,o,40,-0.384).
5456atm(d183,d183_30,o,40,-0.384).
5457
5458bond(d183,d183_1,d183_2,7).
5459bond(d183,d183_2,d183_3,7).
5460bond(d183,d183_3,d183_4,7).
5461bond(d183,d183_4,d183_5,7).
5462bond(d183,d183_5,d183_6,7).
5463bond(d183,d183_6,d183_1,7).
5464bond(d183,d183_1,d183_7,1).
5465bond(d183,d183_2,d183_8,1).
5466bond(d183,d183_3,d183_9,7).
5467bond(d183,d183_9,d183_10,7).
5468bond(d183,d183_10,d183_11,7).
5469bond(d183,d183_11,d183_12,7).
5470bond(d183,d183_12,d183_4,7).
5471bond(d183,d183_9,d183_13,1).
5472bond(d183,d183_10,d183_14,1).
5473bond(d183,d183_12,d183_15,7).
5474bond(d183,d183_15,d183_16,7).
5475bond(d183,d183_16,d183_17,7).
5476bond(d183,d183_17,d183_5,7).
5477bond(d183,d183_16,d183_18,1).
5478bond(d183,d183_17,d183_19,1).
5479bond(d183,d183_11,d183_20,7).
5480bond(d183,d183_20,d183_21,7).
5481bond(d183,d183_21,d183_22,7).
5482bond(d183,d183_22,d183_15,7).
5483bond(d183,d183_20,d183_23,1).
5484bond(d183,d183_21,d183_24,1).
5485bond(d183,d183_22,d183_25,1).
5486bond(d183,d183_6,d183_26,1).
5487bond(d183,d183_26,d183_27,2).
5488bond(d183,d183_26,d183_28,2).
5489bond(d183,d183_25,d183_29,2).
5490bond(d183,d183_25,d183_30,2).
5491atm(d184,d184_1,c,22,-0.118).
5492atm(d184,d184_2,c,22,-0.118).
5493atm(d184,d184_3,c,27,0.012).
5494atm(d184,d184_4,c,27,-0.088).
5495atm(d184,d184_5,c,28,0.012).
5496atm(d184,d184_6,c,22,-0.118).
5497atm(d184,d184_7,h,3,0.142).
5498atm(d184,d184_8,h,3,0.142).
5499atm(d184,d184_9,h,3,0.142).
5500atm(d184,d184_10,c,22,-0.118).
5501atm(d184,d184_11,c,22,-0.118).
5502atm(d184,d184_12,c,22,-0.118).
5503atm(d184,d184_13,c,29,0.012).
5504atm(d184,d184_14,h,3,0.142).
5505atm(d184,d184_15,h,3,0.142).
5506atm(d184,d184_16,c,28,0.012).
5507atm(d184,d184_17,c,28,0.012).
5508atm(d184,d184_18,c,22,-0.118).
5509atm(d184,d184_19,c,22,-0.118).
5510atm(d184,d184_20,c,22,-0.118).
5511atm(d184,d184_21,c,22,-0.118).
5512atm(d184,d184_22,h,3,0.142).
5513atm(d184,d184_23,h,3,0.142).
5514atm(d184,d184_24,h,3,0.142).
5515atm(d184,d184_25,n,38,0.812).
5516atm(d184,d184_26,n,38,0.812).
5517atm(d184,d184_27,o,40,-0.388).
5518atm(d184,d184_28,o,40,-0.388).
5519atm(d184,d184_29,o,40,-0.388).
5520atm(d184,d184_30,o,40,-0.388).
5521
5522bond(d184,d184_1,d184_2,7).
5523bond(d184,d184_2,d184_3,7).
5524bond(d184,d184_3,d184_4,7).
5525bond(d184,d184_4,d184_5,7).
5526bond(d184,d184_5,d184_6,7).
5527bond(d184,d184_6,d184_1,7).
5528bond(d184,d184_1,d184_7,1).
5529bond(d184,d184_2,d184_8,1).
5530bond(d184,d184_6,d184_9,1).
5531bond(d184,d184_3,d184_10,7).
5532bond(d184,d184_10,d184_11,7).
5533bond(d184,d184_11,d184_12,7).
5534bond(d184,d184_12,d184_13,7).
5535bond(d184,d184_13,d184_4,7).
5536bond(d184,d184_11,d184_14,1).
5537bond(d184,d184_12,d184_15,1).
5538bond(d184,d184_16,d184_17,7).
5539bond(d184,d184_17,d184_18,7).
5540bond(d184,d184_18,d184_19,7).
5541bond(d184,d184_19,d184_20,7).
5542bond(d184,d184_20,d184_21,7).
5543bond(d184,d184_21,d184_16,7).
5544bond(d184,d184_18,d184_22,1).
5545bond(d184,d184_19,d184_23,1).
5546bond(d184,d184_20,d184_24,1).
5547bond(d184,d184_16,d184_5,1).
5548bond(d184,d184_17,d184_13,1).
5549bond(d184,d184_10,d184_25,1).
5550bond(d184,d184_21,d184_26,1).
5551bond(d184,d184_26,d184_27,2).
5552bond(d184,d184_26,d184_28,2).
5553bond(d184,d184_25,d184_29,2).
5554bond(d184,d184_25,d184_30,2).
5555atm(d185,d185_1,c,22,-0.114).
5556atm(d185,d185_2,c,22,-0.114).
5557atm(d185,d185_3,c,22,-0.114).
5558atm(d185,d185_4,c,22,-0.114).
5559atm(d185,d185_5,c,22,0.316).
5560atm(d185,d185_6,c,22,-0.114).
5561atm(d185,d185_7,h,3,0.146).
5562atm(d185,d185_8,h,3,0.146).
5563atm(d185,d185_9,h,3,0.146).
5564atm(d185,d185_10,f,92,-0.284).
5565atm(d185,d185_11,n,38,0.817).
5566atm(d185,d185_12,n,38,0.817).
5567atm(d185,d185_13,o,40,-0.383).
5568atm(d185,d185_14,o,40,-0.384).
5569atm(d185,d185_15,o,40,-0.384).
5570atm(d185,d185_16,o,40,-0.383).
5571
5572bond(d185,d185_1,d185_2,7).
5573bond(d185,d185_2,d185_3,7).
5574bond(d185,d185_3,d185_4,7).
5575bond(d185,d185_4,d185_5,7).
5576bond(d185,d185_5,d185_6,7).
5577bond(d185,d185_6,d185_1,7).
5578bond(d185,d185_1,d185_7,1).
5579bond(d185,d185_4,d185_8,1).
5580bond(d185,d185_6,d185_9,1).
5581bond(d185,d185_5,d185_10,1).
5582bond(d185,d185_3,d185_11,1).
5583bond(d185,d185_2,d185_12,1).
5584bond(d185,d185_12,d185_13,2).
5585bond(d185,d185_12,d185_14,2).
5586bond(d185,d185_11,d185_15,2).
5587bond(d185,d185_11,d185_16,2).
5588atm(d186,d186_1,c,22,-0.133).
5589atm(d186,d186_2,c,22,-0.133).
5590atm(d186,d186_3,c,22,0.197).
5591atm(d186,d186_4,c,22,-0.004).
5592atm(d186,d186_5,c,22,-0.133).
5593atm(d186,d186_6,c,22,-0.133).
5594atm(d186,d186_7,h,3,0.126).
5595atm(d186,d186_8,h,3,0.126).
5596atm(d186,d186_9,h,3,0.126).
5597atm(d186,d186_10,n,32,-0.403).
5598atm(d186,d186_11,c,10,-0.004).
5599atm(d186,d186_12,c,10,-0.104).
5600atm(d186,d186_13,h,3,0.046).
5601atm(d186,d186_14,h,3,0.046).
5602atm(d186,d186_15,h,3,0.046).
5603atm(d186,d186_16,h,3,0.046).
5604atm(d186,d186_17,h,1,0.296).
5605atm(d186,d186_18,n,38,0.798).
5606atm(d186,d186_19,o,40,-0.403).
5607atm(d186,d186_20,o,40,-0.403).
5608
5609bond(d186,d186_1,d186_2,7).
5610bond(d186,d186_2,d186_3,7).
5611bond(d186,d186_3,d186_4,7).
5612bond(d186,d186_4,d186_5,7).
5613bond(d186,d186_5,d186_6,7).
5614bond(d186,d186_6,d186_1,7).
5615bond(d186,d186_1,d186_7,1).
5616bond(d186,d186_2,d186_8,1).
5617bond(d186,d186_5,d186_9,1).
5618bond(d186,d186_3,d186_10,1).
5619bond(d186,d186_10,d186_11,1).
5620bond(d186,d186_4,d186_12,1).
5621bond(d186,d186_12,d186_11,1).
5622bond(d186,d186_12,d186_13,1).
5623bond(d186,d186_12,d186_14,1).
5624bond(d186,d186_11,d186_15,1).
5625bond(d186,d186_11,d186_16,1).
5626bond(d186,d186_10,d186_17,1).
5627bond(d186,d186_6,d186_18,1).
5628bond(d186,d186_18,d186_19,2).
5629bond(d186,d186_18,d186_20,2).
5630atm(d187,d187_1,c,194,0.004).
5631atm(d187,d187_2,c,194,0.004).
5632atm(d187,d187_3,c,29,0.004).
5633atm(d187,d187_4,c,194,0.004).
5634atm(d187,d187_5,c,29,0.004).
5635atm(d187,d187_6,c,29,0.004).
5636atm(d187,d187_7,c,22,-0.126).
5637atm(d187,d187_8,c,22,-0.126).
5638atm(d187,d187_9,c,22,-0.126).
5639atm(d187,d187_10,c,22,-0.126).
5640atm(d187,d187_11,h,3,0.134).
5641atm(d187,d187_12,h,3,0.134).
5642atm(d187,d187_13,h,3,0.134).
5643atm(d187,d187_14,c,22,-0.126).
5644atm(d187,d187_15,c,22,-0.126).
5645atm(d187,d187_16,c,22,-0.126).
5646atm(d187,d187_17,c,22,-0.126).
5647atm(d187,d187_18,h,3,0.134).
5648atm(d187,d187_19,h,3,0.134).
5649atm(d187,d187_20,h,3,0.134).
5650atm(d187,d187_21,h,3,0.134).
5651atm(d187,d187_22,c,22,-0.126).
5652atm(d187,d187_23,c,22,-0.126).
5653atm(d187,d187_24,c,22,-0.126).
5654atm(d187,d187_25,c,22,-0.126).
5655atm(d187,d187_26,h,3,0.134).
5656atm(d187,d187_27,h,3,0.134).
5657atm(d187,d187_28,h,3,0.134).
5658atm(d187,d187_29,h,3,0.134).
5659atm(d187,d187_30,n,38,0.805).
5660atm(d187,d187_31,o,40,-0.395).
5661atm(d187,d187_32,o,40,-0.396).
5662
5663bond(d187,d187_1,d187_2,1).
5664bond(d187,d187_2,d187_3,7).
5665bond(d187,d187_3,d187_4,1).
5666bond(d187,d187_4,d187_5,7).
5667bond(d187,d187_5,d187_6,1).
5668bond(d187,d187_6,d187_1,7).
5669bond(d187,d187_4,d187_7,7).
5670bond(d187,d187_7,d187_8,7).
5671bond(d187,d187_8,d187_9,7).
5672bond(d187,d187_9,d187_10,7).
5673bond(d187,d187_10,d187_5,7).
5674bond(d187,d187_7,d187_11,1).
5675bond(d187,d187_8,d187_12,1).
5676bond(d187,d187_10,d187_13,1).
5677bond(d187,d187_2,d187_14,7).
5678bond(d187,d187_14,d187_15,7).
5679bond(d187,d187_15,d187_16,7).
5680bond(d187,d187_16,d187_17,7).
5681bond(d187,d187_17,d187_3,7).
5682bond(d187,d187_14,d187_18,1).
5683bond(d187,d187_15,d187_19,1).
5684bond(d187,d187_16,d187_20,1).
5685bond(d187,d187_17,d187_21,1).
5686bond(d187,d187_6,d187_22,7).
5687bond(d187,d187_22,d187_23,7).
5688bond(d187,d187_23,d187_24,7).
5689bond(d187,d187_24,d187_25,7).
5690bond(d187,d187_25,d187_1,7).
5691bond(d187,d187_22,d187_26,1).
5692bond(d187,d187_23,d187_27,1).
5693bond(d187,d187_24,d187_28,1).
5694bond(d187,d187_25,d187_29,1).
5695bond(d187,d187_9,d187_30,1).
5696bond(d187,d187_30,d187_31,2).
5697bond(d187,d187_30,d187_32,2).
5698atm(d188,d188_1,c,22,-0.137).
5699atm(d188,d188_2,c,22,-0.137).
5700atm(d188,d188_3,c,22,0.193).
5701atm(d188,d188_4,c,29,-0.007).
5702atm(d188,d188_5,c,22,-0.137).
5703atm(d188,d188_6,c,22,-0.137).
5704atm(d188,d188_7,h,3,0.123).
5705atm(d188,d188_8,h,3,0.123).
5706atm(d188,d188_9,h,3,0.123).
5707atm(d188,d188_10,h,3,0.123).
5708atm(d188,d188_11,c,22,0.193).
5709atm(d188,d188_12,c,22,-0.137).
5710atm(d188,d188_13,c,22,-0.137).
5711atm(d188,d188_14,c,22,-0.137).
5712atm(d188,d188_15,c,22,-0.137).
5713atm(d188,d188_16,c,29,-0.007).
5714atm(d188,d188_17,h,3,0.123).
5715atm(d188,d188_18,h,3,0.123).
5716atm(d188,d188_19,h,3,0.123).
5717atm(d188,d188_20,n,32,-0.408).
5718atm(d188,d188_21,h,1,0.293).
5719atm(d188,d188_22,n,38,0.792).
5720atm(d188,d188_23,o,40,-0.407).
5721atm(d188,d188_24,o,40,-0.407).
5722
5723bond(d188,d188_1,d188_2,7).
5724bond(d188,d188_2,d188_3,7).
5725bond(d188,d188_3,d188_4,7).
5726bond(d188,d188_4,d188_5,7).
5727bond(d188,d188_5,d188_6,7).
5728bond(d188,d188_6,d188_1,7).
5729bond(d188,d188_1,d188_7,1).
5730bond(d188,d188_2,d188_8,1).
5731bond(d188,d188_5,d188_9,1).
5732bond(d188,d188_6,d188_10,1).
5733bond(d188,d188_11,d188_12,7).
5734bond(d188,d188_12,d188_13,7).
5735bond(d188,d188_13,d188_14,7).
5736bond(d188,d188_14,d188_15,7).
5737bond(d188,d188_15,d188_16,7).
5738bond(d188,d188_16,d188_11,7).
5739bond(d188,d188_12,d188_17,1).
5740bond(d188,d188_13,d188_18,1).
5741bond(d188,d188_15,d188_19,1).
5742bond(d188,d188_4,d188_16,1).
5743bond(d188,d188_3,d188_20,1).
5744bond(d188,d188_20,d188_11,1).
5745bond(d188,d188_20,d188_21,1).
5746bond(d188,d188_14,d188_22,1).
5747bond(d188,d188_22,d188_23,2).
5748bond(d188,d188_22,d188_24,2).
5749atm(d189,d189_1,c,22,-0.11).
5750atm(d189,d189_2,c,22,-0.11).
5751atm(d189,d189_3,c,27,0.02).
5752atm(d189,d189_4,c,27,0.02).
5753atm(d189,d189_5,c,22,-0.11).
5754atm(d189,d189_6,c,22,-0.11).
5755atm(d189,d189_7,h,3,0.15).
5756atm(d189,d189_8,h,3,0.15).
5757atm(d189,d189_9,c,22,-0.11).
5758atm(d189,d189_10,c,22,-0.11).
5759atm(d189,d189_11,c,22,-0.11).
5760atm(d189,d189_12,c,22,-0.11).
5761atm(d189,d189_13,h,3,0.15).
5762atm(d189,d189_14,h,3,0.15).
5763atm(d189,d189_15,n,38,0.82).
5764atm(d189,d189_16,n,38,0.82).
5765atm(d189,d189_17,n,38,0.82).
5766atm(d189,d189_18,n,38,0.82).
5767atm(d189,d189_19,o,40,-0.38).
5768atm(d189,d189_20,o,40,-0.38).
5769atm(d189,d189_21,o,40,-0.38).
5770atm(d189,d189_22,o,40,-0.38).
5771atm(d189,d189_23,o,40,-0.38).
5772atm(d189,d189_24,o,40,-0.38).
5773atm(d189,d189_25,o,40,-0.38).
5774atm(d189,d189_26,o,40,-0.38).
5775
5776bond(d189,d189_1,d189_2,7).
5777bond(d189,d189_2,d189_3,7).
5778bond(d189,d189_3,d189_4,7).
5779bond(d189,d189_4,d189_5,7).
5780bond(d189,d189_5,d189_6,7).
5781bond(d189,d189_6,d189_1,7).
5782bond(d189,d189_2,d189_7,1).
5783bond(d189,d189_6,d189_8,1).
5784bond(d189,d189_3,d189_9,7).
5785bond(d189,d189_9,d189_10,7).
5786bond(d189,d189_10,d189_11,7).
5787bond(d189,d189_11,d189_12,7).
5788bond(d189,d189_12,d189_4,7).
5789bond(d189,d189_9,d189_13,1).
5790bond(d189,d189_11,d189_14,1).
5791bond(d189,d189_12,d189_15,1).
5792bond(d189,d189_10,d189_16,1).
5793bond(d189,d189_5,d189_17,1).
5794bond(d189,d189_1,d189_18,1).
5795bond(d189,d189_17,d189_19,2).
5796bond(d189,d189_17,d189_20,2).
5797bond(d189,d189_15,d189_21,2).
5798bond(d189,d189_15,d189_22,2).
5799bond(d189,d189_16,d189_23,2).
5800bond(d189,d189_16,d189_24,2).
5801bond(d189,d189_18,d189_25,2).
5802bond(d189,d189_18,d189_26,2).
5803atm(d19,d19_1,c,22,-0.097).
5804atm(d19,d19_2,c,22,-0.097).
5805atm(d19,d19_3,c,27,-0.067).
5806atm(d19,d19_4,c,27,0.033).
5807atm(d19,d19_5,c,22,-0.097).
5808atm(d19,d19_6,c,22,-0.097).
5809atm(d19,d19_7,h,3,0.162).
5810atm(d19,d19_8,h,3,0.162).
5811atm(d19,d19_9,h,3,0.163).
5812atm(d19,d19_10,n,35,-0.738).
5813atm(d19,d19_11,c,22,0.282).
5814atm(d19,d19_12,c,22,-0.097).
5815atm(d19,d19_13,c,22,-0.097).
5816atm(d19,d19_14,h,3,0.163).
5817atm(d19,d19_15,h,3,0.163).
5818atm(d19,d19_16,h,3,0.163).
5819atm(d19,d19_17,n,38,0.832).
5820atm(d19,d19_18,o,40,-0.368).
5821atm(d19,d19_19,o,40,-0.368).
5822
5823bond(d19,d19_1,d19_2,7).
5824bond(d19,d19_2,d19_3,7).
5825bond(d19,d19_3,d19_4,7).
5826bond(d19,d19_4,d19_5,7).
5827bond(d19,d19_5,d19_6,7).
5828bond(d19,d19_6,d19_1,7).
5829bond(d19,d19_1,d19_7,1).
5830bond(d19,d19_2,d19_8,1).
5831bond(d19,d19_5,d19_9,1).
5832bond(d19,d19_3,d19_10,7).
5833bond(d19,d19_10,d19_11,7).
5834bond(d19,d19_11,d19_12,7).
5835bond(d19,d19_12,d19_13,7).
5836bond(d19,d19_13,d19_4,7).
5837bond(d19,d19_11,d19_14,1).
5838bond(d19,d19_12,d19_15,1).
5839bond(d19,d19_13,d19_16,1).
5840bond(d19,d19_17,d19_6,1).
5841bond(d19,d19_18,d19_17,2).
5842bond(d19,d19_19,d19_17,2).
5843atm(d190,d190_1,c,22,-0.138).
5844atm(d190,d190_2,c,22,-0.138).
5845atm(d190,d190_3,c,26,-0.048).
5846atm(d190,d190_4,c,26,0.092).
5847atm(d190,d190_5,c,22,-0.138).
5848atm(d190,d190_6,c,22,-0.138).
5849atm(d190,d190_7,n,34,-0.367).
5850atm(d190,d190_8,c,21,0.162).
5851atm(d190,d190_9,c,21,-0.108).
5852atm(d190,d190_10,n,38,0.793).
5853atm(d190,d190_11,o,40,-0.407).
5854atm(d190,d190_12,o,40,-0.407).
5855atm(d190,d190_13,h,1,0.292).
5856atm(d190,d190_14,h,3,0.122).
5857atm(d190,d190_15,h,3,0.122).
5858atm(d190,d190_16,h,3,0.092).
5859atm(d190,d190_17,h,3,0.122).
5860atm(d190,d190_18,h,3,0.092).
5861
5862bond(d190,d190_1,d190_2,7).
5863bond(d190,d190_2,d190_3,7).
5864bond(d190,d190_3,d190_4,7).
5865bond(d190,d190_4,d190_5,7).
5866bond(d190,d190_5,d190_6,7).
5867bond(d190,d190_6,d190_1,7).
5868bond(d190,d190_3,d190_7,7).
5869bond(d190,d190_7,d190_8,7).
5870bond(d190,d190_4,d190_9,7).
5871bond(d190,d190_9,d190_8,7).
5872bond(d190,d190_6,d190_10,1).
5873bond(d190,d190_10,d190_11,2).
5874bond(d190,d190_10,d190_12,2).
5875bond(d190,d190_7,d190_13,1).
5876bond(d190,d190_1,d190_14,1).
5877bond(d190,d190_2,d190_15,1).
5878bond(d190,d190_5,d190_16,1).
5879bond(d190,d190_8,d190_17,1).
5880bond(d190,d190_9,d190_18,1).
5881atm(d191,d191_1,c,22,-0.133).
5882atm(d191,d191_2,c,22,-0.133).
5883atm(d191,d191_3,c,27,-0.002).
5884atm(d191,d191_4,c,27,-0.102).
5885atm(d191,d191_5,c,27,-0.002).
5886atm(d191,d191_6,c,22,-0.133).
5887atm(d191,d191_7,c,27,-0.102).
5888atm(d191,d191_8,c,27,-0.002).
5889atm(d191,d191_9,c,22,-0.133).
5890atm(d191,d191_10,c,22,-0.133).
5891atm(d191,d191_11,c,26,0.098).
5892atm(d191,d191_12,c,26,0.098).
5893atm(d191,d191_13,c,22,-0.133).
5894atm(d191,d191_14,c,22,-0.133).
5895atm(d191,d191_15,c,22,-0.132).
5896atm(d191,d191_16,c,26,0.098).
5897atm(d191,d191_17,c,21,-0.102).
5898atm(d191,d191_18,c,21,-0.002).
5899atm(d191,d191_19,h,3,0.128).
5900atm(d191,d191_20,h,3,0.128).
5901atm(d191,d191_21,h,3,0.128).
5902atm(d191,d191_22,h,3,0.128).
5903atm(d191,d191_23,h,3,0.128).
5904atm(d191,d191_24,h,3,0.098).
5905atm(d191,d191_25,h,3,0.128).
5906atm(d191,d191_26,h,3,0.128).
5907atm(d191,d191_27,h,3,0.098).
5908atm(d191,d191_28,n,38,0.797).
5909atm(d191,d191_29,o,40,-0.403).
5910atm(d191,d191_30,o,40,-0.403).
5911
5912bond(d191,d191_1,d191_2,7).
5913bond(d191,d191_2,d191_3,7).
5914bond(d191,d191_3,d191_4,7).
5915bond(d191,d191_4,d191_5,7).
5916bond(d191,d191_5,d191_6,7).
5917bond(d191,d191_6,d191_1,7).
5918bond(d191,d191_4,d191_7,7).
5919bond(d191,d191_7,d191_8,7).
5920bond(d191,d191_8,d191_9,7).
5921bond(d191,d191_9,d191_10,7).
5922bond(d191,d191_10,d191_5,7).
5923bond(d191,d191_7,d191_11,7).
5924bond(d191,d191_11,d191_12,7).
5925bond(d191,d191_12,d191_13,7).
5926bond(d191,d191_13,d191_14,7).
5927bond(d191,d191_14,d191_8,7).
5928bond(d191,d191_3,d191_15,7).
5929bond(d191,d191_15,d191_16,7).
5930bond(d191,d191_16,d191_11,7).
5931bond(d191,d191_12,d191_17,7).
5932bond(d191,d191_16,d191_18,7).
5933bond(d191,d191_18,d191_17,7).
5934bond(d191,d191_1,d191_19,1).
5935bond(d191,d191_2,d191_20,1).
5936bond(d191,d191_6,d191_21,1).
5937bond(d191,d191_9,d191_22,1).
5938bond(d191,d191_10,d191_23,1).
5939bond(d191,d191_13,d191_24,1).
5940bond(d191,d191_14,d191_25,1).
5941bond(d191,d191_15,d191_26,1).
5942bond(d191,d191_17,d191_27,1).
5943bond(d191,d191_18,d191_28,1).
5944bond(d191,d191_28,d191_29,2).
5945bond(d191,d191_28,d191_30,2).
5946atm(d192,d192_1,c,22,-0.113).
5947atm(d192,d192_2,c,22,-0.113).
5948atm(d192,d192_3,c,27,0.017).
5949atm(d192,d192_4,c,27,-0.083).
5950atm(d192,d192_5,c,22,-0.113).
5951atm(d192,d192_6,c,22,-0.113).
5952atm(d192,d192_7,h,3,0.146).
5953atm(d192,d192_8,h,3,0.146).
5954atm(d192,d192_9,h,3,0.146).
5955atm(d192,d192_10,h,3,0.146).
5956atm(d192,d192_11,c,22,-0.113).
5957atm(d192,d192_12,c,22,-0.113).
5958atm(d192,d192_13,c,195,-0.083).
5959atm(d192,d192_14,c,195,-0.083).
5960atm(d192,d192_15,h,3,0.146).
5961atm(d192,d192_16,c,27,-0.083).
5962atm(d192,d192_17,c,27,0.017).
5963atm(d192,d192_18,c,22,-0.113).
5964atm(d192,d192_19,c,22,-0.113).
5965atm(d192,d192_20,h,3,0.146).
5966atm(d192,d192_21,h,3,0.146).
5967atm(d192,d192_22,c,22,-0.113).
5968atm(d192,d192_23,c,22,-0.113).
5969atm(d192,d192_24,c,22,-0.113).
5970atm(d192,d192_25,c,22,-0.113).
5971atm(d192,d192_26,h,3,0.146).
5972atm(d192,d192_27,h,3,0.146).
5973atm(d192,d192_28,h,3,0.146).
5974atm(d192,d192_29,h,3,0.146).
5975atm(d192,d192_30,n,38,0.816).
5976atm(d192,d192_31,o,40,-0.384).
5977atm(d192,d192_32,o,40,-0.384).
5978
5979bond(d192,d192_1,d192_2,7).
5980bond(d192,d192_2,d192_3,7).
5981bond(d192,d192_3,d192_4,7).
5982bond(d192,d192_4,d192_5,7).
5983bond(d192,d192_5,d192_6,7).
5984bond(d192,d192_6,d192_1,7).
5985bond(d192,d192_1,d192_7,1).
5986bond(d192,d192_2,d192_8,1).
5987bond(d192,d192_5,d192_9,1).
5988bond(d192,d192_6,d192_10,1).
5989bond(d192,d192_3,d192_11,7).
5990bond(d192,d192_11,d192_12,7).
5991bond(d192,d192_12,d192_13,7).
5992bond(d192,d192_13,d192_14,7).
5993bond(d192,d192_14,d192_4,7).
5994bond(d192,d192_11,d192_15,1).
5995bond(d192,d192_13,d192_16,7).
5996bond(d192,d192_16,d192_17,7).
5997bond(d192,d192_17,d192_18,7).
5998bond(d192,d192_18,d192_19,7).
5999bond(d192,d192_19,d192_14,7).
6000bond(d192,d192_18,d192_20,1).
6001bond(d192,d192_19,d192_21,1).
6002bond(d192,d192_16,d192_22,7).
6003bond(d192,d192_22,d192_23,7).
6004bond(d192,d192_23,d192_24,7).
6005bond(d192,d192_24,d192_25,7).
6006bond(d192,d192_25,d192_17,7).
6007bond(d192,d192_22,d192_26,1).
6008bond(d192,d192_23,d192_27,1).
6009bond(d192,d192_24,d192_28,1).
6010bond(d192,d192_25,d192_29,1).
6011bond(d192,d192_12,d192_30,1).
6012bond(d192,d192_30,d192_31,2).
6013bond(d192,d192_30,d192_32,2).
6014atm(d193,d193_1,c,22,-0.113).
6015atm(d193,d193_2,c,22,-0.113).
6016atm(d193,d193_3,c,27,0.017).
6017atm(d193,d193_4,c,27,-0.083).
6018atm(d193,d193_5,c,22,-0.113).
6019atm(d193,d193_6,c,22,-0.113).
6020atm(d193,d193_7,h,3,0.146).
6021atm(d193,d193_8,h,3,0.146).
6022atm(d193,d193_9,h,3,0.146).
6023atm(d193,d193_10,h,3,0.146).
6024atm(d193,d193_11,c,22,-0.113).
6025atm(d193,d193_12,c,22,-0.113).
6026atm(d193,d193_13,c,195,-0.083).
6027atm(d193,d193_14,c,195,-0.083).
6028atm(d193,d193_15,h,3,0.146).
6029atm(d193,d193_16,c,27,-0.083).
6030atm(d193,d193_17,c,27,0.017).
6031atm(d193,d193_18,c,22,-0.113).
6032atm(d193,d193_19,c,22,-0.113).
6033atm(d193,d193_20,h,3,0.146).
6034atm(d193,d193_21,h,3,0.146).
6035atm(d193,d193_22,c,22,-0.113).
6036atm(d193,d193_23,c,22,-0.113).
6037atm(d193,d193_24,c,22,-0.113).
6038atm(d193,d193_25,c,22,-0.113).
6039atm(d193,d193_26,h,3,0.146).
6040atm(d193,d193_27,h,3,0.146).
6041atm(d193,d193_28,h,3,0.146).
6042atm(d193,d193_29,h,3,0.146).
6043atm(d193,d193_30,n,38,0.816).
6044atm(d193,d193_31,o,40,-0.384).
6045atm(d193,d193_32,o,40,-0.384).
6046
6047bond(d193,d193_1,d193_2,7).
6048bond(d193,d193_2,d193_3,7).
6049bond(d193,d193_3,d193_4,7).
6050bond(d193,d193_4,d193_5,7).
6051bond(d193,d193_5,d193_6,7).
6052bond(d193,d193_6,d193_1,7).
6053bond(d193,d193_1,d193_7,1).
6054bond(d193,d193_2,d193_8,1).
6055bond(d193,d193_5,d193_9,1).
6056bond(d193,d193_6,d193_10,1).
6057bond(d193,d193_3,d193_11,7).
6058bond(d193,d193_11,d193_12,7).
6059bond(d193,d193_12,d193_13,7).
6060bond(d193,d193_13,d193_14,7).
6061bond(d193,d193_14,d193_4,7).
6062bond(d193,d193_11,d193_15,1).
6063bond(d193,d193_13,d193_16,7).
6064bond(d193,d193_16,d193_17,7).
6065bond(d193,d193_17,d193_18,7).
6066bond(d193,d193_18,d193_19,7).
6067bond(d193,d193_19,d193_14,7).
6068bond(d193,d193_18,d193_20,1).
6069bond(d193,d193_19,d193_21,1).
6070bond(d193,d193_16,d193_22,7).
6071bond(d193,d193_22,d193_23,7).
6072bond(d193,d193_23,d193_24,7).
6073bond(d193,d193_24,d193_25,7).
6074bond(d193,d193_25,d193_17,7).
6075bond(d193,d193_22,d193_26,1).
6076bond(d193,d193_23,d193_27,1).
6077bond(d193,d193_25,d193_28,1).
6078bond(d193,d193_12,d193_29,1).
6079bond(d193,d193_24,d193_30,1).
6080bond(d193,d193_30,d193_31,2).
6081bond(d193,d193_30,d193_32,2).
6082atm(d194,d194_1,c,22,-0.132).
6083atm(d194,d194_2,c,22,-0.132).
6084atm(d194,d194_3,c,22,-0.132).
6085atm(d194,d194_4,c,22,0.198).
6086atm(d194,d194_5,c,22,0.198).
6087atm(d194,d194_6,c,22,-0.132).
6088atm(d194,d194_7,h,3,0.128).
6089atm(d194,d194_8,h,3,0.128).
6090atm(d194,d194_9,h,3,0.128).
6091atm(d194,d194_10,n,32,-0.781).
6092atm(d194,d194_11,n,38,0.799).
6093atm(d194,d194_12,h,1,0.328).
6094atm(d194,d194_13,h,1,0.328).
6095atm(d194,d194_14,o,40,-0.401).
6096atm(d194,d194_15,o,40,-0.401).
6097atm(d194,d194_16,n,32,-0.781).
6098atm(d194,d194_17,h,1,0.329).
6099atm(d194,d194_18,h,1,0.328).
6100
6101bond(d194,d194_1,d194_2,7).
6102bond(d194,d194_2,d194_3,7).
6103bond(d194,d194_3,d194_4,7).
6104bond(d194,d194_4,d194_5,7).
6105bond(d194,d194_5,d194_6,7).
6106bond(d194,d194_6,d194_1,7).
6107bond(d194,d194_1,d194_7,1).
6108bond(d194,d194_3,d194_8,1).
6109bond(d194,d194_6,d194_9,1).
6110bond(d194,d194_5,d194_10,1).
6111bond(d194,d194_2,d194_11,1).
6112bond(d194,d194_10,d194_12,1).
6113bond(d194,d194_10,d194_13,1).
6114bond(d194,d194_11,d194_14,2).
6115bond(d194,d194_11,d194_15,2).
6116bond(d194,d194_4,d194_16,1).
6117bond(d194,d194_16,d194_17,1).
6118bond(d194,d194_16,d194_18,1).
6119atm(d195,d195_1,c,22,-0.05).
6120atm(d195,d195_2,c,22,-0.05).
6121atm(d195,d195_3,c,22,-0.05).
6122atm(d195,d195_4,c,22,-0.05).
6123atm(d195,d195_5,c,22,-0.05).
6124atm(d195,d195_6,c,22,-0.05).
6125atm(d195,d195_7,h,3,0.21).
6126atm(d195,d195_8,h,3,0.21).
6127atm(d195,d195_9,cl,93,-0.12).
6128atm(d195,d195_10,cl,93,-0.12).
6129atm(d195,d195_11,cl,93,-0.12).
6130atm(d195,d195_12,n,38,0.88).
6131atm(d195,d195_13,o,40,-0.32).
6132atm(d195,d195_14,o,40,-0.32).
6133
6134bond(d195,d195_1,d195_2,7).
6135bond(d195,d195_2,d195_3,7).
6136bond(d195,d195_3,d195_4,7).
6137bond(d195,d195_4,d195_5,7).
6138bond(d195,d195_5,d195_6,7).
6139bond(d195,d195_6,d195_1,7).
6140bond(d195,d195_1,d195_7,1).
6141bond(d195,d195_6,d195_8,1).
6142bond(d195,d195_5,d195_9,1).
6143bond(d195,d195_4,d195_10,1).
6144bond(d195,d195_3,d195_11,1).
6145bond(d195,d195_2,d195_12,1).
6146bond(d195,d195_12,d195_13,2).
6147bond(d195,d195_12,d195_14,2).
6148atm(d196,d196_1,c,22,-0.137).
6149atm(d196,d196_2,c,22,-0.137).
6150atm(d196,d196_3,c,22,0.193).
6151atm(d196,d196_4,c,29,-0.007).
6152atm(d196,d196_5,c,22,-0.137).
6153atm(d196,d196_6,c,22,-0.137).
6154atm(d196,d196_7,h,3,0.123).
6155atm(d196,d196_8,h,3,0.123).
6156atm(d196,d196_9,h,3,0.123).
6157atm(d196,d196_10,h,3,0.123).
6158atm(d196,d196_11,c,22,0.193).
6159atm(d196,d196_12,c,22,-0.137).
6160atm(d196,d196_13,c,22,-0.137).
6161atm(d196,d196_14,c,22,-0.137).
6162atm(d196,d196_15,c,22,-0.137).
6163atm(d196,d196_16,c,29,-0.007).
6164atm(d196,d196_17,h,3,0.123).
6165atm(d196,d196_18,h,3,0.123).
6166atm(d196,d196_19,n,32,-0.408).
6167atm(d196,d196_20,h,1,0.293).
6168atm(d196,d196_21,h,3,0.123).
6169atm(d196,d196_22,n,38,0.792).
6170atm(d196,d196_23,o,40,-0.407).
6171atm(d196,d196_24,o,40,-0.407).
6172
6173bond(d196,d196_1,d196_2,7).
6174bond(d196,d196_2,d196_3,7).
6175bond(d196,d196_3,d196_4,7).
6176bond(d196,d196_4,d196_5,7).
6177bond(d196,d196_5,d196_6,7).
6178bond(d196,d196_6,d196_1,7).
6179bond(d196,d196_1,d196_7,1).
6180bond(d196,d196_2,d196_8,1).
6181bond(d196,d196_5,d196_9,1).
6182bond(d196,d196_6,d196_10,1).
6183bond(d196,d196_11,d196_12,7).
6184bond(d196,d196_12,d196_13,7).
6185bond(d196,d196_13,d196_14,7).
6186bond(d196,d196_14,d196_15,7).
6187bond(d196,d196_15,d196_16,7).
6188bond(d196,d196_16,d196_11,7).
6189bond(d196,d196_12,d196_17,1).
6190bond(d196,d196_13,d196_18,1).
6191bond(d196,d196_4,d196_16,1).
6192bond(d196,d196_3,d196_19,1).
6193bond(d196,d196_19,d196_11,1).
6194bond(d196,d196_19,d196_20,1).
6195bond(d196,d196_14,d196_21,1).
6196bond(d196,d196_15,d196_22,1).
6197bond(d196,d196_22,d196_23,2).
6198bond(d196,d196_22,d196_24,2).
6199atm(d197,d197_1,c,22,-0.086).
6200atm(d197,d197_2,c,22,-0.086).
6201atm(d197,d197_3,c,26,-0.056).
6202atm(d197,d197_4,c,26,-0.056).
6203atm(d197,d197_5,c,22,-0.086).
6204atm(d197,d197_6,c,22,-0.086).
6205atm(d197,d197_7,n,34,-0.496).
6206atm(d197,d197_8,c,21,0.044).
6207atm(d197,d197_9,n,34,-0.496).
6208atm(d197,d197_10,c,10,0.294).
6209atm(d197,d197_11,n,38,0.844).
6210atm(d197,d197_12,o,40,-0.356).
6211atm(d197,d197_13,o,40,-0.356).
6212atm(d197,d197_14,h,3,0.174).
6213atm(d197,d197_15,h,3,0.174).
6214atm(d197,d197_16,h,3,0.174).
6215atm(d197,d197_17,h,3,0.174).
6216atm(d197,d197_18,h,3,0.094).
6217atm(d197,d197_19,h,3,0.094).
6218atm(d197,d197_20,h,3,0.094).
6219
6220bond(d197,d197_1,d197_2,7).
6221bond(d197,d197_2,d197_3,7).
6222bond(d197,d197_3,d197_4,7).
6223bond(d197,d197_4,d197_5,7).
6224bond(d197,d197_5,d197_6,7).
6225bond(d197,d197_6,d197_1,7).
6226bond(d197,d197_3,d197_7,7).
6227bond(d197,d197_7,d197_8,7).
6228bond(d197,d197_4,d197_9,7).
6229bond(d197,d197_9,d197_8,7).
6230bond(d197,d197_7,d197_10,1).
6231bond(d197,d197_8,d197_11,1).
6232bond(d197,d197_11,d197_12,2).
6233bond(d197,d197_11,d197_13,2).
6234bond(d197,d197_1,d197_14,1).
6235bond(d197,d197_2,d197_15,1).
6236bond(d197,d197_5,d197_16,1).
6237bond(d197,d197_6,d197_17,1).
6238bond(d197,d197_10,d197_18,1).
6239bond(d197,d197_10,d197_19,1).
6240bond(d197,d197_10,d197_20,1).
6241atm(d2,d2_1,c,22,-0.097).
6242atm(d2,d2_2,c,22,-0.097).
6243atm(d2,d2_3,c,27,-0.067).
6244atm(d2,d2_4,c,27,0.033).
6245atm(d2,d2_5,c,22,-0.097).
6246atm(d2,d2_6,c,22,-0.097).
6247atm(d2,d2_7,h,3,0.162).
6248atm(d2,d2_8,h,3,0.162).
6249atm(d2,d2_9,h,3,0.163).
6250atm(d2,d2_10,n,35,-0.738).
6251atm(d2,d2_11,c,22,0.282).
6252atm(d2,d2_12,c,22,-0.097).
6253atm(d2,d2_13,c,22,-0.097).
6254atm(d2,d2_14,h,3,0.163).
6255atm(d2,d2_15,h,3,0.163).
6256atm(d2,d2_16,h,3,0.163).
6257atm(d2,d2_17,n,38,0.832).
6258atm(d2,d2_18,o,40,-0.368).
6259atm(d2,d2_19,o,40,-0.368).
6260
6261bond(d2,d2_1,d2_2,7).
6262bond(d2,d2_2,d2_3,7).
6263bond(d2,d2_3,d2_4,7).
6264bond(d2,d2_4,d2_5,7).
6265bond(d2,d2_5,d2_6,7).
6266bond(d2,d2_6,d2_1,7).
6267bond(d2,d2_1,d2_7,1).
6268bond(d2,d2_5,d2_8,1).
6269bond(d2,d2_6,d2_9,1).
6270bond(d2,d2_3,d2_10,7).
6271bond(d2,d2_10,d2_11,7).
6272bond(d2,d2_11,d2_12,7).
6273bond(d2,d2_12,d2_13,7).
6274bond(d2,d2_13,d2_4,7).
6275bond(d2,d2_11,d2_14,1).
6276bond(d2,d2_12,d2_15,1).
6277bond(d2,d2_13,d2_16,1).
6278bond(d2,d2_17,d2_2,1).
6279bond(d2,d2_17,d2_18,2).
6280bond(d2,d2_17,d2_19,2).
6281atm(d20,d20_1,c,22,-0.111).
6282atm(d20,d20_2,c,22,-0.111).
6283atm(d20,d20_3,c,22,-0.111).
6284atm(d20,d20_4,c,29,0.019).
6285atm(d20,d20_5,c,22,-0.111).
6286atm(d20,d20_6,c,22,-0.111).
6287atm(d20,d20_7,c,22,-0.111).
6288atm(d20,d20_8,c,22,-0.111).
6289atm(d20,d20_9,c,22,-0.111).
6290atm(d20,d20_10,c,22,-0.111).
6291atm(d20,d20_11,c,22,-0.111).
6292atm(d20,d20_12,c,29,0.019).
6293atm(d20,d20_13,c,10,0.019).
6294atm(d20,d20_14,n,38,0.818).
6295atm(d20,d20_15,o,40,-0.381).
6296atm(d20,d20_16,o,40,-0.382).
6297atm(d20,d20_17,h,3,0.149).
6298atm(d20,d20_18,h,3,0.149).
6299atm(d20,d20_19,h,3,0.149).
6300atm(d20,d20_20,h,3,0.149).
6301atm(d20,d20_21,h,3,0.149).
6302atm(d20,d20_22,h,3,0.149).
6303atm(d20,d20_23,h,3,0.069).
6304atm(d20,d20_24,h,3,0.069).
6305atm(d20,d20_25,c,19,0.448).
6306atm(d20,d20_26,n,31,-0.482).
6307
6308bond(d20,d20_1,d20_2,7).
6309bond(d20,d20_2,d20_3,7).
6310bond(d20,d20_3,d20_4,7).
6311bond(d20,d20_4,d20_5,7).
6312bond(d20,d20_5,d20_6,7).
6313bond(d20,d20_6,d20_1,7).
6314bond(d20,d20_7,d20_8,7).
6315bond(d20,d20_8,d20_9,7).
6316bond(d20,d20_9,d20_10,7).
6317bond(d20,d20_10,d20_11,7).
6318bond(d20,d20_11,d20_12,7).
6319bond(d20,d20_12,d20_7,7).
6320bond(d20,d20_4,d20_12,1).
6321bond(d20,d20_3,d20_13,1).
6322bond(d20,d20_13,d20_7,1).
6323bond(d20,d20_1,d20_14,1).
6324bond(d20,d20_14,d20_15,2).
6325bond(d20,d20_14,d20_16,2).
6326bond(d20,d20_2,d20_17,1).
6327bond(d20,d20_5,d20_18,1).
6328bond(d20,d20_6,d20_19,1).
6329bond(d20,d20_8,d20_20,1).
6330bond(d20,d20_10,d20_21,1).
6331bond(d20,d20_11,d20_22,1).
6332bond(d20,d20_13,d20_23,1).
6333bond(d20,d20_13,d20_24,1).
6334bond(d20,d20_9,d20_25,1).
6335bond(d20,d20_25,d20_26,3).
6336atm(d21,d21_1,c,22,-0.12).
6337atm(d21,d21_2,c,22,-0.12).
6338atm(d21,d21_3,c,22,-0.12).
6339atm(d21,d21_4,c,29,0.01).
6340atm(d21,d21_5,c,22,-0.12).
6341atm(d21,d21_6,c,22,-0.12).
6342atm(d21,d21_7,h,3,0.14).
6343atm(d21,d21_8,h,3,0.14).
6344atm(d21,d21_9,h,3,0.14).
6345atm(d21,d21_10,h,3,0.14).
6346atm(d21,d21_11,c,29,0.01).
6347atm(d21,d21_12,c,22,-0.12).
6348atm(d21,d21_13,c,22,-0.12).
6349atm(d21,d21_14,c,22,-0.12).
6350atm(d21,d21_15,c,22,-0.12).
6351atm(d21,d21_16,c,22,-0.12).
6352atm(d21,d21_17,h,3,0.14).
6353atm(d21,d21_18,h,3,0.14).
6354atm(d21,d21_19,h,3,0.14).
6355atm(d21,d21_20,h,3,0.14).
6356atm(d21,d21_21,n,38,0.81).
6357atm(d21,d21_22,n,38,0.81).
6358atm(d21,d21_23,o,40,-0.39).
6359atm(d21,d21_24,o,40,-0.39).
6360atm(d21,d21_25,o,40,-0.39).
6361atm(d21,d21_26,o,40,-0.39).
6362
6363bond(d21,d21_1,d21_2,7).
6364bond(d21,d21_2,d21_3,7).
6365bond(d21,d21_3,d21_4,7).
6366bond(d21,d21_4,d21_5,7).
6367bond(d21,d21_5,d21_6,7).
6368bond(d21,d21_6,d21_1,7).
6369bond(d21,d21_1,d21_7,1).
6370bond(d21,d21_2,d21_8,1).
6371bond(d21,d21_3,d21_9,1).
6372bond(d21,d21_5,d21_10,1).
6373bond(d21,d21_11,d21_12,7).
6374bond(d21,d21_12,d21_13,7).
6375bond(d21,d21_13,d21_14,7).
6376bond(d21,d21_14,d21_15,7).
6377bond(d21,d21_15,d21_16,7).
6378bond(d21,d21_16,d21_11,7).
6379bond(d21,d21_12,d21_17,1).
6380bond(d21,d21_13,d21_18,1).
6381bond(d21,d21_15,d21_19,1).
6382bond(d21,d21_16,d21_20,1).
6383bond(d21,d21_4,d21_11,1).
6384bond(d21,d21_21,d21_14,1).
6385bond(d21,d21_22,d21_6,1).
6386bond(d21,d21_23,d21_21,2).
6387bond(d21,d21_24,d21_21,2).
6388bond(d21,d21_25,d21_22,2).
6389bond(d21,d21_22,d21_26,2).
6390atm(d22,d22_1,c,22,-0.111).
6391atm(d22,d22_2,c,22,-0.111).
6392atm(d22,d22_3,c,22,-0.111).
6393atm(d22,d22_4,c,29,0.019).
6394atm(d22,d22_5,c,22,-0.111).
6395atm(d22,d22_6,c,22,-0.111).
6396atm(d22,d22_7,c,22,-0.111).
6397atm(d22,d22_8,c,22,-0.111).
6398atm(d22,d22_9,c,22,-0.111).
6399atm(d22,d22_10,c,22,-0.111).
6400atm(d22,d22_11,c,22,-0.111).
6401atm(d22,d22_12,c,29,0.019).
6402atm(d22,d22_13,c,10,0.019).
6403atm(d22,d22_14,i,95,-0.031).
6404atm(d22,d22_15,n,38,0.818).
6405atm(d22,d22_16,o,40,-0.382).
6406atm(d22,d22_17,o,40,-0.382).
6407atm(d22,d22_18,h,3,0.148).
6408atm(d22,d22_19,h,3,0.149).
6409atm(d22,d22_20,h,3,0.149).
6410atm(d22,d22_21,h,3,0.149).
6411atm(d22,d22_22,h,3,0.148).
6412atm(d22,d22_23,h,3,0.149).
6413atm(d22,d22_24,h,3,0.069).
6414atm(d22,d22_25,h,3,0.069).
6415
6416bond(d22,d22_1,d22_2,7).
6417bond(d22,d22_2,d22_3,7).
6418bond(d22,d22_3,d22_4,7).
6419bond(d22,d22_4,d22_5,7).
6420bond(d22,d22_5,d22_6,7).
6421bond(d22,d22_6,d22_1,7).
6422bond(d22,d22_7,d22_8,7).
6423bond(d22,d22_8,d22_9,7).
6424bond(d22,d22_9,d22_10,7).
6425bond(d22,d22_10,d22_11,7).
6426bond(d22,d22_11,d22_12,7).
6427bond(d22,d22_12,d22_7,7).
6428bond(d22,d22_4,d22_12,1).
6429bond(d22,d22_3,d22_13,1).
6430bond(d22,d22_13,d22_7,1).
6431bond(d22,d22_9,d22_14,1).
6432bond(d22,d22_1,d22_15,1).
6433bond(d22,d22_15,d22_16,2).
6434bond(d22,d22_15,d22_17,2).
6435bond(d22,d22_2,d22_18,1).
6436bond(d22,d22_5,d22_19,1).
6437bond(d22,d22_6,d22_20,1).
6438bond(d22,d22_8,d22_21,1).
6439bond(d22,d22_10,d22_22,1).
6440bond(d22,d22_11,d22_23,1).
6441bond(d22,d22_13,d22_24,1).
6442bond(d22,d22_13,d22_25,1).
6443atm(d23,d23_1,c,22,-0.115).
6444atm(d23,d23_2,c,22,-0.115).
6445atm(d23,d23_3,c,22,-0.115).
6446atm(d23,d23_4,c,27,-0.085).
6447atm(d23,d23_5,c,27,0.015).
6448atm(d23,d23_6,c,22,-0.115).
6449atm(d23,d23_7,c,195,0.015).
6450atm(d23,d23_8,c,27,-0.085).
6451atm(d23,d23_9,c,22,-0.115).
6452atm(d23,d23_10,c,22,-0.115).
6453atm(d23,d23_11,c,22,-0.115).
6454atm(d23,d23_12,c,27,0.015).
6455atm(d23,d23_13,c,27,-0.085).
6456atm(d23,d23_14,c,25,-0.085).
6457atm(d23,d23_15,c,22,-0.115).
6458atm(d23,d23_16,c,22,-0.115).
6459atm(d23,d23_17,c,22,-0.115).
6460atm(d23,d23_18,c,26,-0.085).
6461atm(d23,d23_19,c,21,-0.115).
6462atm(d23,d23_20,c,21,0.015).
6463atm(d23,d23_21,h,3,0.144).
6464atm(d23,d23_22,h,3,0.144).
6465atm(d23,d23_23,h,3,0.144).
6466atm(d23,d23_24,h,3,0.145).
6467atm(d23,d23_25,h,3,0.145).
6468atm(d23,d23_26,h,3,0.145).
6469atm(d23,d23_27,h,3,0.145).
6470atm(d23,d23_28,h,3,0.144).
6471atm(d23,d23_29,h,3,0.144).
6472atm(d23,d23_30,h,3,0.144).
6473atm(d23,d23_31,h,3,0.144).
6474atm(d23,d23_32,n,38,0.814).
6475atm(d23,d23_33,o,40,-0.386).
6476atm(d23,d23_34,o,40,-0.386).
6477
6478bond(d23,d23_1,d23_2,7).
6479bond(d23,d23_2,d23_3,7).
6480bond(d23,d23_3,d23_4,7).
6481bond(d23,d23_4,d23_5,7).
6482bond(d23,d23_5,d23_6,7).
6483bond(d23,d23_6,d23_1,7).
6484bond(d23,d23_4,d23_7,7).
6485bond(d23,d23_7,d23_8,7).
6486bond(d23,d23_8,d23_9,7).
6487bond(d23,d23_9,d23_10,7).
6488bond(d23,d23_10,d23_5,7).
6489bond(d23,d23_7,d23_11,7).
6490bond(d23,d23_11,d23_12,7).
6491bond(d23,d23_12,d23_13,7).
6492bond(d23,d23_13,d23_14,7).
6493bond(d23,d23_14,d23_8,7).
6494bond(d23,d23_12,d23_15,7).
6495bond(d23,d23_15,d23_16,7).
6496bond(d23,d23_16,d23_17,7).
6497bond(d23,d23_17,d23_18,7).
6498bond(d23,d23_18,d23_13,7).
6499bond(d23,d23_19,d23_14,7).
6500bond(d23,d23_19,d23_20,7).
6501bond(d23,d23_20,d23_18,7).
6502bond(d23,d23_1,d23_21,1).
6503bond(d23,d23_2,d23_22,1).
6504bond(d23,d23_3,d23_23,1).
6505bond(d23,d23_6,d23_24,1).
6506bond(d23,d23_9,d23_25,1).
6507bond(d23,d23_10,d23_26,1).
6508bond(d23,d23_11,d23_27,1).
6509bond(d23,d23_15,d23_28,1).
6510bond(d23,d23_16,d23_29,1).
6511bond(d23,d23_17,d23_30,1).
6512bond(d23,d23_19,d23_31,1).
6513bond(d23,d23_32,d23_20,1).
6514bond(d23,d23_33,d23_32,2).
6515bond(d23,d23_32,d23_34,2).
6516atm(d24,d24_1,c,22,-0.111).
6517atm(d24,d24_2,c,22,-0.111).
6518atm(d24,d24_3,c,27,0.019).
6519atm(d24,d24_4,c,27,-0.081).
6520atm(d24,d24_5,c,27,-0.081).
6521atm(d24,d24_6,c,27,0.019).
6522atm(d24,d24_7,h,3,0.15).
6523atm(d24,d24_8,h,3,0.15).
6524atm(d24,d24_9,c,22,-0.111).
6525atm(d24,d24_10,c,22,-0.111).
6526atm(d24,d24_11,c,27,0.019).
6527atm(d24,d24_12,c,27,-0.081).
6528atm(d24,d24_13,h,3,0.149).
6529atm(d24,d24_14,h,3,0.149).
6530atm(d24,d24_15,c,22,-0.111).
6531atm(d24,d24_16,c,22,-0.111).
6532atm(d24,d24_17,c,27,0.019).
6533atm(d24,d24_18,c,27,-0.081).
6534atm(d24,d24_19,h,3,0.149).
6535atm(d24,d24_20,h,3,0.149).
6536atm(d24,d24_21,c,22,-0.111).
6537atm(d24,d24_22,c,22,-0.111).
6538atm(d24,d24_23,c,27,0.019).
6539atm(d24,d24_24,c,27,-0.081).
6540atm(d24,d24_25,h,3,0.149).
6541atm(d24,d24_26,c,22,-0.111).
6542atm(d24,d24_27,c,22,-0.111).
6543atm(d24,d24_28,c,27,0.019).
6544atm(d24,d24_29,c,27,-0.081).
6545atm(d24,d24_30,h,3,0.15).
6546atm(d24,d24_31,h,3,0.15).
6547atm(d24,d24_32,c,22,-0.111).
6548atm(d24,d24_33,c,22,-0.111).
6549atm(d24,d24_34,h,3,0.15).
6550atm(d24,d24_35,h,3,0.149).
6551atm(d24,d24_36,n,38,0.82).
6552atm(d24,d24_37,o,40,-0.38).
6553atm(d24,d24_38,o,40,-0.38).
6554
6555bond(d24,d24_1,d24_2,7).
6556bond(d24,d24_2,d24_3,7).
6557bond(d24,d24_3,d24_4,7).
6558bond(d24,d24_4,d24_5,7).
6559bond(d24,d24_5,d24_6,7).
6560bond(d24,d24_6,d24_1,7).
6561bond(d24,d24_1,d24_7,1).
6562bond(d24,d24_2,d24_8,1).
6563bond(d24,d24_3,d24_9,7).
6564bond(d24,d24_9,d24_10,7).
6565bond(d24,d24_10,d24_11,7).
6566bond(d24,d24_11,d24_12,7).
6567bond(d24,d24_12,d24_4,7).
6568bond(d24,d24_9,d24_13,1).
6569bond(d24,d24_10,d24_14,1).
6570bond(d24,d24_11,d24_15,7).
6571bond(d24,d24_15,d24_16,7).
6572bond(d24,d24_16,d24_17,7).
6573bond(d24,d24_17,d24_18,7).
6574bond(d24,d24_18,d24_12,7).
6575bond(d24,d24_15,d24_19,1).
6576bond(d24,d24_16,d24_20,1).
6577bond(d24,d24_17,d24_21,7).
6578bond(d24,d24_21,d24_22,7).
6579bond(d24,d24_22,d24_23,7).
6580bond(d24,d24_23,d24_24,7).
6581bond(d24,d24_24,d24_18,7).
6582bond(d24,d24_21,d24_25,1).
6583bond(d24,d24_23,d24_26,7).
6584bond(d24,d24_26,d24_27,7).
6585bond(d24,d24_27,d24_28,7).
6586bond(d24,d24_28,d24_29,7).
6587bond(d24,d24_29,d24_24,7).
6588bond(d24,d24_26,d24_30,1).
6589bond(d24,d24_27,d24_31,1).
6590bond(d24,d24_5,d24_29,7).
6591bond(d24,d24_28,d24_32,7).
6592bond(d24,d24_32,d24_33,7).
6593bond(d24,d24_33,d24_6,7).
6594bond(d24,d24_32,d24_34,1).
6595bond(d24,d24_33,d24_35,1).
6596bond(d24,d24_36,d24_22,1).
6597bond(d24,d24_36,d24_37,2).
6598bond(d24,d24_36,d24_38,2).
6599atm(d25,d25_1,c,22,-0.119).
6600atm(d25,d25_2,c,22,-0.119).
6601atm(d25,d25_3,c,22,-0.119).
6602atm(d25,d25_4,c,29,0.011).
6603atm(d25,d25_5,c,22,-0.119).
6604atm(d25,d25_6,c,22,-0.119).
6605atm(d25,d25_7,c,22,-0.119).
6606atm(d25,d25_8,c,22,-0.119).
6607atm(d25,d25_9,c,22,0.261).
6608atm(d25,d25_10,c,22,-0.119).
6609atm(d25,d25_11,c,22,-0.119).
6610atm(d25,d25_12,c,29,0.011).
6611atm(d25,d25_13,c,10,0.011).
6612atm(d25,d25_14,o,45,-0.638).
6613atm(d25,d25_15,n,38,0.812).
6614atm(d25,d25_16,o,40,-0.388).
6615atm(d25,d25_17,o,40,-0.389).
6616atm(d25,d25_18,h,3,0.141).
6617atm(d25,d25_19,h,3,0.141).
6618atm(d25,d25_20,h,3,0.141).
6619atm(d25,d25_21,h,3,0.141).
6620atm(d25,d25_22,h,3,0.141).
6621atm(d25,d25_23,h,3,0.141).
6622atm(d25,d25_24,h,8,0.412).
6623atm(d25,d25_25,h,3,0.061).
6624atm(d25,d25_26,h,3,0.061).
6625
6626bond(d25,d25_1,d25_2,7).
6627bond(d25,d25_2,d25_3,7).
6628bond(d25,d25_3,d25_4,7).
6629bond(d25,d25_4,d25_5,7).
6630bond(d25,d25_5,d25_6,7).
6631bond(d25,d25_6,d25_1,7).
6632bond(d25,d25_7,d25_8,7).
6633bond(d25,d25_8,d25_9,7).
6634bond(d25,d25_9,d25_10,7).
6635bond(d25,d25_10,d25_11,7).
6636bond(d25,d25_11,d25_12,7).
6637bond(d25,d25_12,d25_7,7).
6638bond(d25,d25_4,d25_12,1).
6639bond(d25,d25_3,d25_13,1).
6640bond(d25,d25_13,d25_7,1).
6641bond(d25,d25_9,d25_14,1).
6642bond(d25,d25_1,d25_15,1).
6643bond(d25,d25_15,d25_16,2).
6644bond(d25,d25_15,d25_17,2).
6645bond(d25,d25_2,d25_18,1).
6646bond(d25,d25_5,d25_19,1).
6647bond(d25,d25_6,d25_20,1).
6648bond(d25,d25_8,d25_21,1).
6649bond(d25,d25_10,d25_22,1).
6650bond(d25,d25_11,d25_23,1).
6651bond(d25,d25_14,d25_24,1).
6652bond(d25,d25_13,d25_25,1).
6653bond(d25,d25_13,d25_26,1).
6654atm(d26,d26_1,c,22,-0.093).
6655atm(d26,d26_2,c,22,-0.093).
6656atm(d26,d26_3,c,22,-0.093).
6657atm(d26,d26_4,c,22,-0.093).
6658atm(d26,d26_5,c,22,-0.093).
6659atm(d26,d26_6,c,22,-0.093).
6660atm(d26,d26_7,h,3,0.167).
6661atm(d26,d26_8,h,3,0.167).
6662atm(d26,d26_9,h,3,0.167).
6663atm(d26,d26_10,cl,93,-0.163).
6664atm(d26,d26_11,n,38,0.836).
6665atm(d26,d26_12,n,38,0.836).
6666atm(d26,d26_13,o,40,-0.363).
6667atm(d26,d26_14,o,40,-0.363).
6668atm(d26,d26_15,o,40,-0.363).
6669atm(d26,d26_16,o,40,-0.363).
6670
6671bond(d26,d26_1,d26_2,7).
6672bond(d26,d26_2,d26_3,7).
6673bond(d26,d26_3,d26_4,7).
6674bond(d26,d26_4,d26_5,7).
6675bond(d26,d26_5,d26_6,7).
6676bond(d26,d26_6,d26_1,7).
6677bond(d26,d26_1,d26_7,1).
6678bond(d26,d26_3,d26_8,1).
6679bond(d26,d26_6,d26_9,1).
6680bond(d26,d26_10,d26_5,1).
6681bond(d26,d26_4,d26_11,1).
6682bond(d26,d26_2,d26_12,1).
6683bond(d26,d26_13,d26_11,2).
6684bond(d26,d26_11,d26_14,2).
6685bond(d26,d26_15,d26_12,2).
6686bond(d26,d26_12,d26_16,2).
6687atm(d27,d27_1,c,22,-0.114).
6688atm(d27,d27_2,c,22,-0.114).
6689atm(d27,d27_3,c,27,0.016).
6690atm(d27,d27_4,c,27,-0.084).
6691atm(d27,d27_5,c,22,-0.114).
6692atm(d27,d27_6,c,22,-0.114).
6693atm(d27,d27_7,h,3,0.145).
6694atm(d27,d27_8,h,3,0.145).
6695atm(d27,d27_9,h,3,0.145).
6696atm(d27,d27_10,h,3,0.145).
6697atm(d27,d27_11,c,22,-0.114).
6698atm(d27,d27_12,c,27,0.016).
6699atm(d27,d27_13,c,195,-0.084).
6700atm(d27,d27_14,c,195,-0.084).
6701atm(d27,d27_15,h,3,0.145).
6702atm(d27,d27_16,c,22,-0.114).
6703atm(d27,d27_17,c,22,-0.114).
6704atm(d27,d27_18,c,27,0.016).
6705atm(d27,d27_19,c,27,-0.084).
6706atm(d27,d27_20,h,3,0.145).
6707atm(d27,d27_21,h,3,0.145).
6708atm(d27,d27_22,c,27,0.016).
6709atm(d27,d27_23,c,22,-0.114).
6710atm(d27,d27_24,c,22,-0.114).
6711atm(d27,d27_25,h,3,0.145).
6712atm(d27,d27_26,h,3,0.145).
6713atm(d27,d27_27,c,22,-0.114).
6714atm(d27,d27_28,c,22,-0.114).
6715atm(d27,d27_29,c,22,-0.114).
6716atm(d27,d27_30,h,3,0.145).
6717atm(d27,d27_31,h,3,0.145).
6718atm(d27,d27_32,n,38,0.815).
6719atm(d27,d27_33,o,40,-0.385).
6720atm(d27,d27_34,o,40,-0.385).
6721
6722bond(d27,d27_1,d27_2,7).
6723bond(d27,d27_2,d27_3,7).
6724bond(d27,d27_3,d27_4,7).
6725bond(d27,d27_4,d27_5,7).
6726bond(d27,d27_5,d27_6,7).
6727bond(d27,d27_6,d27_1,7).
6728bond(d27,d27_1,d27_7,1).
6729bond(d27,d27_2,d27_8,1).
6730bond(d27,d27_5,d27_9,1).
6731bond(d27,d27_6,d27_10,1).
6732bond(d27,d27_3,d27_11,7).
6733bond(d27,d27_11,d27_12,7).
6734bond(d27,d27_12,d27_13,7).
6735bond(d27,d27_13,d27_14,7).
6736bond(d27,d27_14,d27_4,7).
6737bond(d27,d27_11,d27_15,1).
6738bond(d27,d27_12,d27_16,7).
6739bond(d27,d27_16,d27_17,7).
6740bond(d27,d27_17,d27_18,7).
6741bond(d27,d27_18,d27_19,7).
6742bond(d27,d27_19,d27_13,7).
6743bond(d27,d27_16,d27_20,1).
6744bond(d27,d27_17,d27_21,1).
6745bond(d27,d27_19,d27_22,7).
6746bond(d27,d27_22,d27_23,7).
6747bond(d27,d27_23,d27_24,7).
6748bond(d27,d27_24,d27_14,7).
6749bond(d27,d27_23,d27_25,1).
6750bond(d27,d27_24,d27_26,1).
6751bond(d27,d27_18,d27_27,7).
6752bond(d27,d27_27,d27_28,7).
6753bond(d27,d27_28,d27_29,7).
6754bond(d27,d27_29,d27_22,7).
6755bond(d27,d27_27,d27_30,1).
6756bond(d27,d27_28,d27_31,1).
6757bond(d27,d27_32,d27_29,1).
6758bond(d27,d27_32,d27_33,2).
6759bond(d27,d27_32,d27_34,2).
6760atm(d28,d28_1,c,22,-0.118).
6761atm(d28,d28_2,c,22,-0.118).
6762atm(d28,d28_3,c,22,-0.118).
6763atm(d28,d28_4,c,29,0.012).
6764atm(d28,d28_5,c,22,-0.118).
6765atm(d28,d28_6,c,22,-0.118).
6766atm(d28,d28_7,c,22,-0.118).
6767atm(d28,d28_8,c,22,-0.118).
6768atm(d28,d28_9,c,22,0.311).
6769atm(d28,d28_10,c,22,-0.118).
6770atm(d28,d28_11,c,22,-0.118).
6771atm(d28,d28_12,c,29,0.012).
6772atm(d28,d28_13,c,10,0.012).
6773atm(d28,d28_14,n,38,0.811).
6774atm(d28,d28_15,o,40,-0.389).
6775atm(d28,d28_16,o,40,-0.389).
6776atm(d28,d28_17,f,92,-0.289).
6777atm(d28,d28_18,h,3,0.141).
6778atm(d28,d28_19,h,3,0.141).
6779atm(d28,d28_20,h,3,0.142).
6780atm(d28,d28_21,h,3,0.141).
6781atm(d28,d28_22,h,3,0.141).
6782atm(d28,d28_23,h,3,0.141).
6783atm(d28,d28_24,h,3,0.062).
6784atm(d28,d28_25,h,3,0.062).
6785
6786bond(d28,d28_1,d28_2,7).
6787bond(d28,d28_2,d28_3,7).
6788bond(d28,d28_3,d28_4,7).
6789bond(d28,d28_4,d28_5,7).
6790bond(d28,d28_5,d28_6,7).
6791bond(d28,d28_6,d28_1,7).
6792bond(d28,d28_7,d28_8,7).
6793bond(d28,d28_8,d28_9,7).
6794bond(d28,d28_9,d28_10,7).
6795bond(d28,d28_10,d28_11,7).
6796bond(d28,d28_11,d28_12,7).
6797bond(d28,d28_12,d28_7,7).
6798bond(d28,d28_4,d28_12,1).
6799bond(d28,d28_3,d28_13,1).
6800bond(d28,d28_13,d28_7,1).
6801bond(d28,d28_1,d28_14,1).
6802bond(d28,d28_14,d28_15,2).
6803bond(d28,d28_14,d28_16,2).
6804bond(d28,d28_9,d28_17,1).
6805bond(d28,d28_2,d28_18,1).
6806bond(d28,d28_5,d28_19,1).
6807bond(d28,d28_6,d28_20,1).
6808bond(d28,d28_8,d28_21,1).
6809bond(d28,d28_10,d28_22,1).
6810bond(d28,d28_11,d28_23,1).
6811bond(d28,d28_13,d28_24,1).
6812bond(d28,d28_13,d28_25,1).
6813atm(d29,d29_1,c,22,-0.106).
6814atm(d29,d29_2,c,22,-0.106).
6815atm(d29,d29_3,c,22,-0.106).
6816atm(d29,d29_4,c,29,0.024).
6817atm(d29,d29_5,c,22,-0.106).
6818atm(d29,d29_6,c,22,-0.106).
6819atm(d29,d29_7,c,22,-0.106).
6820atm(d29,d29_8,c,22,-0.106).
6821atm(d29,d29_9,c,22,-0.106).
6822atm(d29,d29_10,c,22,-0.106).
6823atm(d29,d29_11,c,22,-0.106).
6824atm(d29,d29_12,c,29,0.024).
6825atm(d29,d29_13,c,230,0.194).
6826atm(d29,d29_14,n,38,0.823).
6827atm(d29,d29_15,o,40,-0.376).
6828atm(d29,d29_16,o,40,-0.377).
6829atm(d29,d29_17,n,38,0.823).
6830atm(d29,d29_18,o,40,-0.376).
6831atm(d29,d29_19,o,40,-0.376).
6832atm(d29,d29_20,n,38,0.823).
6833atm(d29,d29_21,o,40,-0.377).
6834atm(d29,d29_22,o,40,-0.377).
6835atm(d29,d29_23,f,92,-0.276).
6836atm(d29,d29_24,h,3,0.154).
6837atm(d29,d29_25,h,3,0.154).
6838atm(d29,d29_26,h,3,0.154).
6839atm(d29,d29_27,h,3,0.154).
6840atm(d29,d29_28,h,3,0.154).
6841atm(d29,d29_29,h,3,0.114).
6842
6843bond(d29,d29_1,d29_2,7).
6844bond(d29,d29_2,d29_3,7).
6845bond(d29,d29_3,d29_4,7).
6846bond(d29,d29_4,d29_5,7).
6847bond(d29,d29_5,d29_6,7).
6848bond(d29,d29_6,d29_1,7).
6849bond(d29,d29_7,d29_8,7).
6850bond(d29,d29_8,d29_9,7).
6851bond(d29,d29_9,d29_10,7).
6852bond(d29,d29_10,d29_11,7).
6853bond(d29,d29_11,d29_12,7).
6854bond(d29,d29_12,d29_7,7).
6855bond(d29,d29_4,d29_12,1).
6856bond(d29,d29_3,d29_13,1).
6857bond(d29,d29_13,d29_7,1).
6858bond(d29,d29_1,d29_14,1).
6859bond(d29,d29_14,d29_15,2).
6860bond(d29,d29_14,d29_16,2).
6861bond(d29,d29_9,d29_17,1).
6862bond(d29,d29_18,d29_17,2).
6863bond(d29,d29_19,d29_17,2).
6864bond(d29,d29_20,d29_11,1).
6865bond(d29,d29_21,d29_20,2).
6866bond(d29,d29_22,d29_20,2).
6867bond(d29,d29_13,d29_23,1).
6868bond(d29,d29_2,d29_24,1).
6869bond(d29,d29_5,d29_25,1).
6870bond(d29,d29_6,d29_26,1).
6871bond(d29,d29_8,d29_27,1).
6872bond(d29,d29_10,d29_28,1).
6873bond(d29,d29_13,d29_29,1).
6874atm(d3,d3_1,c,22,-0.097).
6875atm(d3,d3_2,c,22,-0.097).
6876atm(d3,d3_3,c,27,-0.067).
6877atm(d3,d3_4,c,27,0.033).
6878atm(d3,d3_5,c,22,-0.097).
6879atm(d3,d3_6,c,22,-0.097).
6880atm(d3,d3_7,h,3,0.162).
6881atm(d3,d3_8,h,3,0.162).
6882atm(d3,d3_9,h,3,0.163).
6883atm(d3,d3_10,n,35,-0.738).
6884atm(d3,d3_11,c,22,0.282).
6885atm(d3,d3_12,c,22,-0.097).
6886atm(d3,d3_13,c,22,-0.097).
6887atm(d3,d3_14,h,3,0.163).
6888atm(d3,d3_15,h,3,0.163).
6889atm(d3,d3_16,h,3,0.163).
6890atm(d3,d3_17,n,38,0.832).
6891atm(d3,d3_18,o,40,-0.368).
6892atm(d3,d3_19,o,40,-0.368).
6893
6894bond(d3,d3_1,d3_2,7).
6895bond(d3,d3_2,d3_3,7).
6896bond(d3,d3_3,d3_4,7).
6897bond(d3,d3_4,d3_5,7).
6898bond(d3,d3_5,d3_6,7).
6899bond(d3,d3_6,d3_1,7).
6900bond(d3,d3_1,d3_7,1).
6901bond(d3,d3_2,d3_8,1).
6902bond(d3,d3_6,d3_9,1).
6903bond(d3,d3_3,d3_10,7).
6904bond(d3,d3_10,d3_11,7).
6905bond(d3,d3_11,d3_12,7).
6906bond(d3,d3_12,d3_13,7).
6907bond(d3,d3_13,d3_4,7).
6908bond(d3,d3_11,d3_14,1).
6909bond(d3,d3_12,d3_15,1).
6910bond(d3,d3_13,d3_16,1).
6911bond(d3,d3_17,d3_5,1).
6912bond(d3,d3_17,d3_18,2).
6913bond(d3,d3_17,d3_19,2).
6914atm(d30,d30_1,c,22,-0.115).
6915atm(d30,d30_2,c,22,-0.115).
6916atm(d30,d30_3,c,27,-0.085).
6917atm(d30,d30_4,c,27,-0.085).
6918atm(d30,d30_5,c,26,-0.085).
6919atm(d30,d30_6,c,22,-0.115).
6920atm(d30,d30_7,c,27,-0.085).
6921atm(d30,d30_8,c,27,0.015).
6922atm(d30,d30_9,c,22,-0.115).
6923atm(d30,d30_10,c,26,-0.085).
6924atm(d30,d30_11,c,22,-0.115).
6925atm(d30,d30_12,c,27,0.015).
6926atm(d30,d30_13,c,27,0.015).
6927atm(d30,d30_14,c,22,-0.115).
6928atm(d30,d30_15,c,22,-0.115).
6929atm(d30,d30_16,c,22,-0.115).
6930atm(d30,d30_17,c,22,-0.115).
6931atm(d30,d30_18,c,22,-0.115).
6932atm(d30,d30_19,c,21,0.015).
6933atm(d30,d30_20,c,21,-0.085).
6934atm(d30,d30_21,h,3,0.145).
6935atm(d30,d30_22,h,3,0.145).
6936atm(d30,d30_23,h,3,0.144).
6937atm(d30,d30_24,h,3,0.145).
6938atm(d30,d30_25,h,3,0.144).
6939atm(d30,d30_26,h,3,0.144).
6940atm(d30,d30_27,h,3,0.144).
6941atm(d30,d30_28,h,3,0.144).
6942atm(d30,d30_29,h,3,0.144).
6943atm(d30,d30_30,h,3,0.144).
6944atm(d30,d30_31,h,3,0.115).
6945atm(d30,d30_32,n,38,0.814).
6946atm(d30,d30_33,o,40,-0.386).
6947atm(d30,d30_34,o,40,-0.386).
6948
6949bond(d30,d30_1,d30_2,7).
6950bond(d30,d30_2,d30_3,7).
6951bond(d30,d30_3,d30_4,7).
6952bond(d30,d30_4,d30_5,7).
6953bond(d30,d30_5,d30_6,7).
6954bond(d30,d30_6,d30_1,7).
6955bond(d30,d30_3,d30_7,7).
6956bond(d30,d30_7,d30_8,7).
6957bond(d30,d30_8,d30_9,7).
6958bond(d30,d30_9,d30_10,7).
6959bond(d30,d30_10,d30_4,7).
6960bond(d30,d30_7,d30_11,7).
6961bond(d30,d30_11,d30_12,7).
6962bond(d30,d30_12,d30_13,7).
6963bond(d30,d30_13,d30_14,7).
6964bond(d30,d30_14,d30_8,7).
6965bond(d30,d30_12,d30_15,7).
6966bond(d30,d30_15,d30_16,7).
6967bond(d30,d30_16,d30_17,7).
6968bond(d30,d30_17,d30_18,7).
6969bond(d30,d30_18,d30_13,7).
6970bond(d30,d30_19,d30_5,7).
6971bond(d30,d30_19,d30_20,7).
6972bond(d30,d30_20,d30_10,7).
6973bond(d30,d30_1,d30_21,1).
6974bond(d30,d30_2,d30_22,1).
6975bond(d30,d30_6,d30_23,1).
6976bond(d30,d30_9,d30_24,1).
6977bond(d30,d30_11,d30_25,1).
6978bond(d30,d30_14,d30_26,1).
6979bond(d30,d30_15,d30_27,1).
6980bond(d30,d30_16,d30_28,1).
6981bond(d30,d30_17,d30_29,1).
6982bond(d30,d30_18,d30_30,1).
6983bond(d30,d30_20,d30_31,1).
6984bond(d30,d30_32,d30_19,1).
6985bond(d30,d30_33,d30_32,2).
6986bond(d30,d30_34,d30_32,2).
6987atm(d31,d31_1,c,22,-0.118).
6988atm(d31,d31_2,c,22,-0.118).
6989atm(d31,d31_3,c,27,0.012).
6990atm(d31,d31_4,c,27,-0.088).
6991atm(d31,d31_5,c,28,0.012).
6992atm(d31,d31_6,c,22,-0.118).
6993atm(d31,d31_7,h,3,0.142).
6994atm(d31,d31_8,h,3,0.142).
6995atm(d31,d31_9,h,3,0.142).
6996atm(d31,d31_10,c,22,-0.118).
6997atm(d31,d31_11,c,22,-0.118).
6998atm(d31,d31_12,c,22,-0.118).
6999atm(d31,d31_13,c,29,0.012).
7000atm(d31,d31_14,h,3,0.142).
7001atm(d31,d31_15,c,28,0.012).
7002atm(d31,d31_16,c,28,0.012).
7003atm(d31,d31_17,c,22,-0.118).
7004atm(d31,d31_18,c,22,-0.118).
7005atm(d31,d31_19,c,22,-0.118).
7006atm(d31,d31_20,c,22,-0.118).
7007atm(d31,d31_21,h,3,0.142).
7008atm(d31,d31_22,h,3,0.142).
7009atm(d31,d31_23,h,3,0.142).
7010atm(d31,d31_24,n,38,0.812).
7011atm(d31,d31_25,n,38,0.812).
7012atm(d31,d31_26,o,40,-0.388).
7013atm(d31,d31_27,o,40,-0.388).
7014atm(d31,d31_28,o,40,-0.388).
7015atm(d31,d31_29,o,40,-0.388).
7016atm(d31,d31_30,h,3,0.142).
7017
7018bond(d31,d31_1,d31_2,7).
7019bond(d31,d31_2,d31_3,7).
7020bond(d31,d31_3,d31_4,7).
7021bond(d31,d31_4,d31_5,7).
7022bond(d31,d31_5,d31_6,7).
7023bond(d31,d31_6,d31_1,7).
7024bond(d31,d31_1,d31_7,1).
7025bond(d31,d31_2,d31_8,1).
7026bond(d31,d31_6,d31_9,1).
7027bond(d31,d31_3,d31_10,7).
7028bond(d31,d31_10,d31_11,7).
7029bond(d31,d31_11,d31_12,7).
7030bond(d31,d31_12,d31_13,7).
7031bond(d31,d31_13,d31_4,7).
7032bond(d31,d31_10,d31_14,1).
7033bond(d31,d31_15,d31_16,7).
7034bond(d31,d31_16,d31_17,7).
7035bond(d31,d31_17,d31_18,7).
7036bond(d31,d31_18,d31_19,7).
7037bond(d31,d31_19,d31_20,7).
7038bond(d31,d31_20,d31_15,7).
7039bond(d31,d31_18,d31_21,1).
7040bond(d31,d31_19,d31_22,1).
7041bond(d31,d31_20,d31_23,1).
7042bond(d31,d31_15,d31_5,1).
7043bond(d31,d31_12,d31_24,1).
7044bond(d31,d31_11,d31_25,1).
7045bond(d31,d31_26,d31_24,2).
7046bond(d31,d31_24,d31_27,2).
7047bond(d31,d31_25,d31_28,2).
7048bond(d31,d31_25,d31_29,2).
7049bond(d31,d31_17,d31_30,1).
7050bond(d31,d31_16,d31_13,1).
7051atm(d32,d32_1,c,22,-0.113).
7052atm(d32,d32_2,c,22,-0.113).
7053atm(d32,d32_3,c,22,-0.113).
7054atm(d32,d32_4,c,29,0.017).
7055atm(d32,d32_5,c,22,-0.113).
7056atm(d32,d32_6,c,22,-0.113).
7057atm(d32,d32_7,h,3,0.147).
7058atm(d32,d32_8,h,3,0.147).
7059atm(d32,d32_9,h,3,0.147).
7060atm(d32,d32_10,c,29,0.017).
7061atm(d32,d32_11,c,22,-0.113).
7062atm(d32,d32_12,c,22,-0.113).
7063atm(d32,d32_13,c,22,-0.113).
7064atm(d32,d32_14,c,22,-0.113).
7065atm(d32,d32_15,c,22,-0.113).
7066atm(d32,d32_16,h,3,0.147).
7067atm(d32,d32_17,h,3,0.147).
7068atm(d32,d32_18,h,3,0.147).
7069atm(d32,d32_19,n,38,0.818).
7070atm(d32,d32_20,n,38,0.818).
7071atm(d32,d32_21,n,38,0.818).
7072atm(d32,d32_22,n,38,0.818).
7073atm(d32,d32_23,o,40,-0.382).
7074atm(d32,d32_24,o,40,-0.382).
7075atm(d32,d32_25,o,40,-0.382).
7076atm(d32,d32_26,o,40,-0.383).
7077atm(d32,d32_27,o,40,-0.383).
7078atm(d32,d32_28,o,40,-0.382).
7079atm(d32,d32_29,o,40,-0.382).
7080atm(d32,d32_30,o,40,-0.382).
7081
7082bond(d32,d32_1,d32_2,7).
7083bond(d32,d32_2,d32_3,7).
7084bond(d32,d32_3,d32_4,7).
7085bond(d32,d32_4,d32_5,7).
7086bond(d32,d32_5,d32_6,7).
7087bond(d32,d32_6,d32_1,7).
7088bond(d32,d32_2,d32_7,1).
7089bond(d32,d32_3,d32_8,1).
7090bond(d32,d32_5,d32_9,1).
7091bond(d32,d32_10,d32_11,7).
7092bond(d32,d32_11,d32_12,7).
7093bond(d32,d32_12,d32_13,7).
7094bond(d32,d32_13,d32_14,7).
7095bond(d32,d32_14,d32_15,7).
7096bond(d32,d32_15,d32_10,7).
7097bond(d32,d32_11,d32_16,1).
7098bond(d32,d32_12,d32_17,1).
7099bond(d32,d32_14,d32_18,1).
7100bond(d32,d32_10,d32_4,1).
7101bond(d32,d32_19,d32_15,1).
7102bond(d32,d32_13,d32_20,1).
7103bond(d32,d32_6,d32_21,1).
7104bond(d32,d32_1,d32_22,1).
7105bond(d32,d32_23,d32_19,2).
7106bond(d32,d32_19,d32_24,2).
7107bond(d32,d32_25,d32_20,2).
7108bond(d32,d32_20,d32_26,2).
7109bond(d32,d32_27,d32_22,2).
7110bond(d32,d32_22,d32_28,2).
7111bond(d32,d32_29,d32_21,2).
7112bond(d32,d32_21,d32_30,2).
7113atm(d33,d33_1,c,22,-0.127).
7114atm(d33,d33_2,c,22,-0.127).
7115atm(d33,d33_3,c,22,-0.127).
7116atm(d33,d33_4,c,29,0.003).
7117atm(d33,d33_5,c,22,-0.127).
7118atm(d33,d33_6,c,22,-0.127).
7119atm(d33,d33_7,h,3,0.133).
7120atm(d33,d33_8,h,3,0.133).
7121atm(d33,d33_9,h,3,0.133).
7122atm(d33,d33_10,c,22,-0.127).
7123atm(d33,d33_11,c,22,-0.127).
7124atm(d33,d33_12,c,22,0.203).
7125atm(d33,d33_13,c,22,-0.127).
7126atm(d33,d33_14,c,22,-0.127).
7127atm(d33,d33_15,c,29,0.003).
7128atm(d33,d33_16,h,3,0.133).
7129atm(d33,d33_17,h,3,0.133).
7130atm(d33,d33_18,h,3,0.133).
7131atm(d33,d33_19,c,10,0.003).
7132atm(d33,d33_20,h,3,0.053).
7133atm(d33,d33_21,h,3,0.053).
7134atm(d33,d33_22,n,38,0.802).
7135atm(d33,d33_23,o,40,-0.398).
7136atm(d33,d33_24,o,40,-0.397).
7137atm(d33,d33_25,n,32,-0.398).
7138atm(d33,d33_26,c,14,0.602).
7139atm(d33,d33_27,c,232,1.002).
7140atm(d33,d33_28,f,92,-0.297).
7141atm(d33,d33_29,f,92,-0.297).
7142atm(d33,d33_30,f,92,-0.297).
7143atm(d33,d33_31,h,1,0.253).
7144atm(d33,d33_32,o,40,-0.548).
7145
7146bond(d33,d33_1,d33_2,7).
7147bond(d33,d33_2,d33_3,7).
7148bond(d33,d33_3,d33_4,7).
7149bond(d33,d33_4,d33_5,7).
7150bond(d33,d33_5,d33_6,7).
7151bond(d33,d33_6,d33_1,7).
7152bond(d33,d33_2,d33_7,1).
7153bond(d33,d33_5,d33_8,1).
7154bond(d33,d33_6,d33_9,1).
7155bond(d33,d33_10,d33_11,7).
7156bond(d33,d33_11,d33_12,7).
7157bond(d33,d33_12,d33_13,7).
7158bond(d33,d33_13,d33_14,7).
7159bond(d33,d33_14,d33_15,7).
7160bond(d33,d33_15,d33_10,7).
7161bond(d33,d33_11,d33_16,1).
7162bond(d33,d33_13,d33_17,1).
7163bond(d33,d33_14,d33_18,1).
7164bond(d33,d33_4,d33_15,1).
7165bond(d33,d33_3,d33_19,1).
7166bond(d33,d33_19,d33_10,1).
7167bond(d33,d33_19,d33_20,1).
7168bond(d33,d33_19,d33_21,1).
7169bond(d33,d33_1,d33_22,1).
7170bond(d33,d33_23,d33_22,2).
7171bond(d33,d33_22,d33_24,2).
7172bond(d33,d33_12,d33_25,1).
7173bond(d33,d33_25,d33_26,1).
7174bond(d33,d33_26,d33_27,1).
7175bond(d33,d33_27,d33_28,1).
7176bond(d33,d33_27,d33_29,1).
7177bond(d33,d33_27,d33_30,1).
7178bond(d33,d33_25,d33_31,1).
7179bond(d33,d33_26,d33_32,2).
7180atm(d34,d34_1,c,22,-0.123).
7181atm(d34,d34_2,c,22,-0.123).
7182atm(d34,d34_3,c,27,0.006).
7183atm(d34,d34_4,c,27,0.006).
7184atm(d34,d34_5,c,22,-0.123).
7185atm(d34,d34_6,c,22,-0.123).
7186atm(d34,d34_7,h,3,0.136).
7187atm(d34,d34_8,h,3,0.136).
7188atm(d34,d34_9,h,3,0.137).
7189atm(d34,d34_10,h,3,0.136).
7190atm(d34,d34_11,c,22,-0.123).
7191atm(d34,d34_12,c,22,-0.123).
7192atm(d34,d34_13,c,22,-0.123).
7193atm(d34,d34_14,c,22,-0.123).
7194atm(d34,d34_15,h,3,0.137).
7195atm(d34,d34_16,h,3,0.137).
7196atm(d34,d34_17,h,3,0.137).
7197atm(d34,d34_18,n,38,0.806).
7198atm(d34,d34_19,o,40,-0.395).
7199atm(d34,d34_20,o,40,-0.395).
7200
7201bond(d34,d34_1,d34_2,7).
7202bond(d34,d34_2,d34_3,7).
7203bond(d34,d34_3,d34_4,7).
7204bond(d34,d34_4,d34_5,7).
7205bond(d34,d34_5,d34_6,7).
7206bond(d34,d34_6,d34_1,7).
7207bond(d34,d34_1,d34_7,1).
7208bond(d34,d34_2,d34_8,1).
7209bond(d34,d34_5,d34_9,1).
7210bond(d34,d34_6,d34_10,1).
7211bond(d34,d34_3,d34_11,7).
7212bond(d34,d34_11,d34_12,7).
7213bond(d34,d34_12,d34_13,7).
7214bond(d34,d34_13,d34_14,7).
7215bond(d34,d34_14,d34_4,7).
7216bond(d34,d34_11,d34_15,1).
7217bond(d34,d34_12,d34_16,1).
7218bond(d34,d34_14,d34_17,1).
7219bond(d34,d34_18,d34_13,1).
7220bond(d34,d34_19,d34_18,2).
7221bond(d34,d34_18,d34_20,2).
7222atm(d35,d35_1,c,22,-0.122).
7223atm(d35,d35_2,c,22,-0.122).
7224atm(d35,d35_3,c,22,-0.122).
7225atm(d35,d35_4,c,29,0.008).
7226atm(d35,d35_5,c,22,-0.122).
7227atm(d35,d35_6,c,22,-0.122).
7228atm(d35,d35_7,h,3,0.138).
7229atm(d35,d35_8,h,3,0.138).
7230atm(d35,d35_9,h,3,0.138).
7231atm(d35,d35_10,c,22,-0.122).
7232atm(d35,d35_11,c,22,-0.122).
7233atm(d35,d35_12,c,22,0.208).
7234atm(d35,d35_13,c,22,-0.122).
7235atm(d35,d35_14,c,22,-0.122).
7236atm(d35,d35_15,c,29,0.008).
7237atm(d35,d35_16,h,3,0.138).
7238atm(d35,d35_17,h,3,0.138).
7239atm(d35,d35_18,h,3,0.138).
7240atm(d35,d35_19,c,10,0.008).
7241atm(d35,d35_20,h,3,0.058).
7242atm(d35,d35_21,h,3,0.058).
7243atm(d35,d35_22,n,38,0.807).
7244atm(d35,d35_23,n,32,-0.773).
7245atm(d35,d35_24,o,40,-0.393).
7246atm(d35,d35_25,o,40,-0.393).
7247atm(d35,d35_26,h,1,0.337).
7248atm(d35,d35_27,h,1,0.337).
7249
7250bond(d35,d35_1,d35_2,7).
7251bond(d35,d35_2,d35_3,7).
7252bond(d35,d35_3,d35_4,7).
7253bond(d35,d35_4,d35_5,7).
7254bond(d35,d35_5,d35_6,7).
7255bond(d35,d35_6,d35_1,7).
7256bond(d35,d35_2,d35_7,1).
7257bond(d35,d35_5,d35_8,1).
7258bond(d35,d35_6,d35_9,1).
7259bond(d35,d35_10,d35_11,7).
7260bond(d35,d35_11,d35_12,7).
7261bond(d35,d35_12,d35_13,7).
7262bond(d35,d35_13,d35_14,7).
7263bond(d35,d35_14,d35_15,7).
7264bond(d35,d35_15,d35_10,7).
7265bond(d35,d35_11,d35_16,1).
7266bond(d35,d35_13,d35_17,1).
7267bond(d35,d35_14,d35_18,1).
7268bond(d35,d35_4,d35_15,1).
7269bond(d35,d35_3,d35_19,1).
7270bond(d35,d35_19,d35_10,1).
7271bond(d35,d35_19,d35_20,1).
7272bond(d35,d35_19,d35_21,1).
7273bond(d35,d35_1,d35_22,1).
7274bond(d35,d35_12,d35_23,1).
7275bond(d35,d35_24,d35_22,2).
7276bond(d35,d35_22,d35_25,2).
7277bond(d35,d35_23,d35_26,1).
7278bond(d35,d35_23,d35_27,1).
7279atm(d36,d36_1,c,22,-0.123).
7280atm(d36,d36_2,c,22,-0.123).
7281atm(d36,d36_3,c,27,0.007).
7282atm(d36,d36_4,c,27,0.007).
7283atm(d36,d36_5,c,22,-0.123).
7284atm(d36,d36_6,c,22,-0.123).
7285atm(d36,d36_7,h,3,0.137).
7286atm(d36,d36_8,h,3,0.137).
7287atm(d36,d36_9,h,3,0.137).
7288atm(d36,d36_10,h,3,0.137).
7289atm(d36,d36_11,c,22,-0.123).
7290atm(d36,d36_12,c,22,-0.173).
7291atm(d36,d36_13,c,22,-0.123).
7292atm(d36,d36_14,c,22,-0.123).
7293atm(d36,d36_15,h,3,0.137).
7294atm(d36,d36_16,h,3,0.137).
7295atm(d36,d36_17,c,10,0.007).
7296atm(d36,d36_18,h,3,0.057).
7297atm(d36,d36_19,h,3,0.057).
7298atm(d36,d36_20,h,3,0.057).
7299atm(d36,d36_21,n,38,0.806).
7300atm(d36,d36_22,o,40,-0.393).
7301atm(d36,d36_23,o,40,-0.393).
7302
7303bond(d36,d36_1,d36_2,7).
7304bond(d36,d36_2,d36_3,7).
7305bond(d36,d36_3,d36_4,7).
7306bond(d36,d36_4,d36_5,7).
7307bond(d36,d36_5,d36_6,7).
7308bond(d36,d36_6,d36_1,7).
7309bond(d36,d36_1,d36_7,1).
7310bond(d36,d36_2,d36_8,1).
7311bond(d36,d36_5,d36_9,1).
7312bond(d36,d36_6,d36_10,1).
7313bond(d36,d36_3,d36_11,7).
7314bond(d36,d36_11,d36_12,7).
7315bond(d36,d36_12,d36_13,7).
7316bond(d36,d36_13,d36_14,7).
7317bond(d36,d36_14,d36_4,7).
7318bond(d36,d36_11,d36_15,1).
7319bond(d36,d36_14,d36_16,1).
7320bond(d36,d36_12,d36_17,1).
7321bond(d36,d36_17,d36_18,1).
7322bond(d36,d36_17,d36_19,1).
7323bond(d36,d36_17,d36_20,1).
7324bond(d36,d36_13,d36_21,1).
7325bond(d36,d36_22,d36_21,2).
7326bond(d36,d36_21,d36_23,2).
7327atm(d37,d37_1,c,22,-0.126).
7328atm(d37,d37_2,c,22,-0.126).
7329atm(d37,d37_3,c,22,-0.126).
7330atm(d37,d37_4,c,22,0.004).
7331atm(d37,d37_5,c,22,-0.126).
7332atm(d37,d37_6,c,22,-0.126).
7333atm(d37,d37_7,h,3,0.135).
7334atm(d37,d37_8,h,3,0.135).
7335atm(d37,d37_9,h,3,0.135).
7336atm(d37,d37_10,h,3,0.135).
7337atm(d37,d37_11,c,10,-0.096).
7338atm(d37,d37_12,c,10,-0.096).
7339atm(d37,d37_13,h,3,0.054).
7340atm(d37,d37_14,h,3,0.054).
7341atm(d37,d37_15,c,22,0.004).
7342atm(d37,d37_16,h,3,0.054).
7343atm(d37,d37_17,h,3,0.054).
7344atm(d37,d37_18,c,22,-0.126).
7345atm(d37,d37_19,c,22,-0.126).
7346atm(d37,d37_20,c,22,-0.126).
7347atm(d37,d37_21,c,22,-0.126).
7348atm(d37,d37_22,c,22,-0.126).
7349atm(d37,d37_23,h,3,0.134).
7350atm(d37,d37_24,h,3,0.135).
7351atm(d37,d37_25,h,3,0.134).
7352atm(d37,d37_26,h,3,0.135).
7353atm(d37,d37_27,h,3,0.135).
7354atm(d37,d37_28,n,38,0.805).
7355atm(d37,d37_29,o,40,-0.395).
7356atm(d37,d37_30,o,40,-0.395).
7357
7358bond(d37,d37_1,d37_2,7).
7359bond(d37,d37_2,d37_3,7).
7360bond(d37,d37_3,d37_4,7).
7361bond(d37,d37_4,d37_5,7).
7362bond(d37,d37_5,d37_6,7).
7363bond(d37,d37_6,d37_1,7).
7364bond(d37,d37_2,d37_7,1).
7365bond(d37,d37_3,d37_8,1).
7366bond(d37,d37_5,d37_9,1).
7367bond(d37,d37_6,d37_10,1).
7368bond(d37,d37_4,d37_11,1).
7369bond(d37,d37_11,d37_12,1).
7370bond(d37,d37_11,d37_13,1).
7371bond(d37,d37_11,d37_14,1).
7372bond(d37,d37_12,d37_15,1).
7373bond(d37,d37_12,d37_16,1).
7374bond(d37,d37_12,d37_17,1).
7375bond(d37,d37_15,d37_18,7).
7376bond(d37,d37_18,d37_19,7).
7377bond(d37,d37_19,d37_20,7).
7378bond(d37,d37_20,d37_21,7).
7379bond(d37,d37_21,d37_22,7).
7380bond(d37,d37_22,d37_15,7).
7381bond(d37,d37_18,d37_23,1).
7382bond(d37,d37_19,d37_24,1).
7383bond(d37,d37_20,d37_25,1).
7384bond(d37,d37_21,d37_26,1).
7385bond(d37,d37_22,d37_27,1).
7386bond(d37,d37_1,d37_28,1).
7387bond(d37,d37_29,d37_28,2).
7388bond(d37,d37_28,d37_30,2).
7389atm(d38,d38_1,c,22,-0.125).
7390atm(d38,d38_2,c,22,-0.125).
7391atm(d38,d38_3,c,22,-0.125).
7392atm(d38,d38_4,c,29,0.005).
7393atm(d38,d38_5,c,22,-0.125).
7394atm(d38,d38_6,c,22,-0.125).
7395atm(d38,d38_7,h,3,0.136).
7396atm(d38,d38_8,h,3,0.136).
7397atm(d38,d38_9,h,3,0.136).
7398atm(d38,d38_10,h,3,0.136).
7399atm(d38,d38_11,h,3,0.136).
7400atm(d38,d38_12,c,29,0.005).
7401atm(d38,d38_13,c,22,-0.125).
7402atm(d38,d38_14,c,22,-0.125).
7403atm(d38,d38_15,c,22,-0.125).
7404atm(d38,d38_16,c,22,-0.125).
7405atm(d38,d38_17,c,22,-0.125).
7406atm(d38,d38_18,h,3,0.136).
7407atm(d38,d38_19,h,3,0.135).
7408atm(d38,d38_20,h,3,0.135).
7409atm(d38,d38_21,h,3,0.136).
7410atm(d38,d38_22,n,38,0.806).
7411atm(d38,d38_23,o,40,-0.394).
7412atm(d38,d38_24,o,40,-0.394).
7413
7414bond(d38,d38_1,d38_2,7).
7415bond(d38,d38_2,d38_3,7).
7416bond(d38,d38_3,d38_4,7).
7417bond(d38,d38_4,d38_5,7).
7418bond(d38,d38_5,d38_6,7).
7419bond(d38,d38_6,d38_1,7).
7420bond(d38,d38_1,d38_7,1).
7421bond(d38,d38_2,d38_8,1).
7422bond(d38,d38_3,d38_9,1).
7423bond(d38,d38_5,d38_10,1).
7424bond(d38,d38_6,d38_11,1).
7425bond(d38,d38_12,d38_13,7).
7426bond(d38,d38_13,d38_14,7).
7427bond(d38,d38_14,d38_15,7).
7428bond(d38,d38_15,d38_16,7).
7429bond(d38,d38_16,d38_17,7).
7430bond(d38,d38_17,d38_12,7).
7431bond(d38,d38_13,d38_18,1).
7432bond(d38,d38_14,d38_19,1).
7433bond(d38,d38_16,d38_20,1).
7434bond(d38,d38_17,d38_21,1).
7435bond(d38,d38_12,d38_4,1).
7436bond(d38,d38_22,d38_15,1).
7437bond(d38,d38_23,d38_22,2).
7438bond(d38,d38_22,d38_24,2).
7439atm(d39,d39_1,c,22,-0.111).
7440atm(d39,d39_2,c,22,-0.111).
7441atm(d39,d39_3,c,27,-0.081).
7442atm(d39,d39_4,c,27,0.019).
7443atm(d39,d39_5,c,22,-0.111).
7444atm(d39,d39_6,c,22,0.198).
7445atm(d39,d39_7,h,3,0.149).
7446atm(d39,d39_8,h,3,0.149).
7447atm(d39,d39_9,n,35,-0.752).
7448atm(d39,d39_10,c,22,0.268).
7449atm(d39,d39_11,c,22,-0.111).
7450atm(d39,d39_12,c,22,-0.111).
7451atm(d39,d39_13,h,3,0.149).
7452atm(d39,d39_14,h,3,0.149).
7453atm(d39,d39_15,h,3,0.149).
7454atm(d39,d39_16,n,38,0.818).
7455atm(d39,d39_17,o,40,-0.382).
7456atm(d39,d39_18,o,40,-0.382).
7457atm(d39,d39_19,o,50,-0.212).
7458atm(d39,d39_20,c,10,0.109).
7459atm(d39,d39_21,h,3,0.069).
7460atm(d39,d39_22,h,3,0.069).
7461atm(d39,d39_23,h,3,0.069).
7462
7463bond(d39,d39_1,d39_2,7).
7464bond(d39,d39_2,d39_3,7).
7465bond(d39,d39_3,d39_4,7).
7466bond(d39,d39_4,d39_5,7).
7467bond(d39,d39_5,d39_6,7).
7468bond(d39,d39_6,d39_1,7).
7469bond(d39,d39_1,d39_7,1).
7470bond(d39,d39_5,d39_8,1).
7471bond(d39,d39_3,d39_9,7).
7472bond(d39,d39_9,d39_10,7).
7473bond(d39,d39_10,d39_11,7).
7474bond(d39,d39_11,d39_12,7).
7475bond(d39,d39_12,d39_4,7).
7476bond(d39,d39_10,d39_13,1).
7477bond(d39,d39_11,d39_14,1).
7478bond(d39,d39_12,d39_15,1).
7479bond(d39,d39_2,d39_16,1).
7480bond(d39,d39_16,d39_17,2).
7481bond(d39,d39_16,d39_18,2).
7482bond(d39,d39_6,d39_19,1).
7483bond(d39,d39_19,d39_20,1).
7484bond(d39,d39_20,d39_21,1).
7485bond(d39,d39_20,d39_22,1).
7486bond(d39,d39_20,d39_23,1).
7487atm(d4,d4_1,c,22,-0.122).
7488atm(d4,d4_2,c,22,-0.122).
7489atm(d4,d4_3,c,27,0.008).
7490atm(d4,d4_4,c,27,-0.092).
7491atm(d4,d4_5,c,28,0.008).
7492atm(d4,d4_6,c,22,-0.122).
7493atm(d4,d4_7,c,22,-0.122).
7494atm(d4,d4_8,c,22,-0.122).
7495atm(d4,d4_9,c,22,-0.122).
7496atm(d4,d4_10,c,29,0.008).
7497atm(d4,d4_11,c,22,-0.122).
7498atm(d4,d4_12,c,29,0.008).
7499atm(d4,d4_13,c,28,0.008).
7500atm(d4,d4_14,c,22,-0.122).
7501atm(d4,d4_15,c,22,-0.122).
7502atm(d4,d4_16,c,22,-0.122).
7503atm(d4,d4_17,n,38,0.809).
7504atm(d4,d4_18,o,40,-0.391).
7505atm(d4,d4_19,o,40,-0.391).
7506atm(d4,d4_20,h,3,0.138).
7507atm(d4,d4_21,h,3,0.138).
7508atm(d4,d4_22,h,3,0.138).
7509atm(d4,d4_23,h,3,0.139).
7510atm(d4,d4_24,h,3,0.139).
7511atm(d4,d4_25,h,3,0.138).
7512atm(d4,d4_26,h,3,0.138).
7513atm(d4,d4_27,h,3,0.138).
7514atm(d4,d4_28,h,3,0.139).
7515
7516bond(d4,d4_1,d4_2,7).
7517bond(d4,d4_2,d4_3,7).
7518bond(d4,d4_3,d4_4,7).
7519bond(d4,d4_4,d4_5,7).
7520bond(d4,d4_5,d4_6,7).
7521bond(d4,d4_6,d4_1,7).
7522bond(d4,d4_3,d4_7,7).
7523bond(d4,d4_7,d4_8,7).
7524bond(d4,d4_8,d4_9,7).
7525bond(d4,d4_9,d4_10,7).
7526bond(d4,d4_10,d4_4,7).
7527bond(d4,d4_11,d4_12,7).
7528bond(d4,d4_12,d4_13,7).
7529bond(d4,d4_13,d4_14,7).
7530bond(d4,d4_14,d4_15,7).
7531bond(d4,d4_15,d4_16,7).
7532bond(d4,d4_16,d4_11,7).
7533bond(d4,d4_12,d4_5,1).
7534bond(d4,d4_13,d4_10,1).
7535bond(d4,d4_17,d4_9,1).
7536bond(d4,d4_17,d4_18,2).
7537bond(d4,d4_17,d4_19,2).
7538bond(d4,d4_1,d4_20,1).
7539bond(d4,d4_2,d4_21,1).
7540bond(d4,d4_6,d4_22,1).
7541bond(d4,d4_7,d4_23,1).
7542bond(d4,d4_8,d4_24,1).
7543bond(d4,d4_11,d4_25,1).
7544bond(d4,d4_14,d4_26,1).
7545bond(d4,d4_15,d4_27,1).
7546bond(d4,d4_16,d4_28,1).
7547atm(d40,d40_1,c,22,-0.123).
7548atm(d40,d40_2,c,22,-0.123).
7549atm(d40,d40_3,c,27,0.006).
7550atm(d40,d40_4,c,27,0.006).
7551atm(d40,d40_5,c,22,-0.123).
7552atm(d40,d40_6,c,22,-0.123).
7553atm(d40,d40_7,h,3,0.136).
7554atm(d40,d40_8,h,3,0.136).
7555atm(d40,d40_9,h,3,0.137).
7556atm(d40,d40_10,h,3,0.136).
7557atm(d40,d40_11,c,22,-0.123).
7558atm(d40,d40_12,c,22,-0.123).
7559atm(d40,d40_13,c,22,-0.123).
7560atm(d40,d40_14,c,22,-0.123).
7561atm(d40,d40_15,h,3,0.137).
7562atm(d40,d40_16,h,3,0.137).
7563atm(d40,d40_17,h,3,0.137).
7564atm(d40,d40_18,n,38,0.806).
7565atm(d40,d40_19,o,40,-0.395).
7566atm(d40,d40_20,o,40,-0.395).
7567
7568bond(d40,d40_1,d40_2,7).
7569bond(d40,d40_2,d40_3,7).
7570bond(d40,d40_3,d40_4,7).
7571bond(d40,d40_4,d40_5,7).
7572bond(d40,d40_5,d40_6,7).
7573bond(d40,d40_6,d40_1,7).
7574bond(d40,d40_1,d40_7,1).
7575bond(d40,d40_2,d40_8,1).
7576bond(d40,d40_5,d40_9,1).
7577bond(d40,d40_6,d40_10,1).
7578bond(d40,d40_3,d40_11,7).
7579bond(d40,d40_11,d40_12,7).
7580bond(d40,d40_12,d40_13,7).
7581bond(d40,d40_13,d40_14,7).
7582bond(d40,d40_14,d40_4,7).
7583bond(d40,d40_11,d40_15,1).
7584bond(d40,d40_12,d40_16,1).
7585bond(d40,d40_13,d40_17,1).
7586bond(d40,d40_18,d40_14,1).
7587bond(d40,d40_19,d40_18,2).
7588bond(d40,d40_18,d40_20,2).
7589atm(d41,d41_1,c,22,-0.107).
7590atm(d41,d41_2,c,22,-0.107).
7591atm(d41,d41_3,c,22,-0.107).
7592atm(d41,d41_4,c,29,0.023).
7593atm(d41,d41_5,c,22,-0.107).
7594atm(d41,d41_6,c,22,-0.107).
7595atm(d41,d41_7,h,3,0.152).
7596atm(d41,d41_8,h,3,0.152).
7597atm(d41,d41_9,h,3,0.153).
7598atm(d41,d41_10,c,22,-0.107).
7599atm(d41,d41_11,c,22,-0.107).
7600atm(d41,d41_12,c,22,-0.107).
7601atm(d41,d41_13,c,22,-0.107).
7602atm(d41,d41_14,c,22,-0.107).
7603atm(d41,d41_15,c,29,0.023).
7604atm(d41,d41_16,h,3,0.153).
7605atm(d41,d41_17,h,3,0.153).
7606atm(d41,d41_18,h,3,0.153).
7607atm(d41,d41_19,c,10,0.023).
7608atm(d41,d41_20,h,3,0.073).
7609atm(d41,d41_21,h,3,0.073).
7610atm(d41,d41_22,br,94,-0.127).
7611atm(d41,d41_23,n,38,0.822).
7612atm(d41,d41_24,o,40,-0.378).
7613atm(d41,d41_25,o,40,-0.378).
7614
7615bond(d41,d41_1,d41_2,7).
7616bond(d41,d41_2,d41_3,7).
7617bond(d41,d41_3,d41_4,7).
7618bond(d41,d41_4,d41_5,7).
7619bond(d41,d41_5,d41_6,7).
7620bond(d41,d41_6,d41_1,7).
7621bond(d41,d41_2,d41_7,1).
7622bond(d41,d41_5,d41_8,1).
7623bond(d41,d41_6,d41_9,1).
7624bond(d41,d41_10,d41_11,7).
7625bond(d41,d41_11,d41_12,7).
7626bond(d41,d41_12,d41_13,7).
7627bond(d41,d41_13,d41_14,7).
7628bond(d41,d41_14,d41_15,7).
7629bond(d41,d41_15,d41_10,7).
7630bond(d41,d41_11,d41_16,1).
7631bond(d41,d41_13,d41_17,1).
7632bond(d41,d41_14,d41_18,1).
7633bond(d41,d41_4,d41_15,1).
7634bond(d41,d41_3,d41_19,1).
7635bond(d41,d41_10,d41_19,1).
7636bond(d41,d41_19,d41_20,1).
7637bond(d41,d41_19,d41_21,1).
7638bond(d41,d41_12,d41_22,1).
7639bond(d41,d41_1,d41_23,1).
7640bond(d41,d41_24,d41_23,2).
7641bond(d41,d41_23,d41_25,2).
7642atm(d42,d42_1,c,22,-0.122).
7643atm(d42,d42_2,c,22,-0.122).
7644atm(d42,d42_3,c,26,0.307).
7645atm(d42,d42_4,c,26,0.108).
7646atm(d42,d42_5,c,22,-0.122).
7647atm(d42,d42_6,c,22,-0.122).
7648atm(d42,d42_7,n,34,-0.393).
7649atm(d42,d42_8,n,34,-0.533).
7650atm(d42,d42_9,c,21,-0.122).
7651atm(d42,d42_10,c,10,0.098).
7652atm(d42,d42_11,n,38,0.807).
7653atm(d42,d42_12,o,40,-0.393).
7654atm(d42,d42_13,o,40,-0.393).
7655atm(d42,d42_14,h,3,0.137).
7656atm(d42,d42_15,h,3,0.138).
7657atm(d42,d42_16,h,3,0.108).
7658atm(d42,d42_17,h,3,0.138).
7659atm(d42,d42_18,h,3,0.058).
7660atm(d42,d42_19,h,3,0.058).
7661atm(d42,d42_20,h,3,0.058).
7662atm(d42,d42_21,h,1,0.307).
7663
7664bond(d42,d42_1,d42_2,7).
7665bond(d42,d42_2,d42_3,7).
7666bond(d42,d42_3,d42_4,7).
7667bond(d42,d42_4,d42_5,7).
7668bond(d42,d42_5,d42_6,7).
7669bond(d42,d42_6,d42_1,7).
7670bond(d42,d42_3,d42_7,7).
7671bond(d42,d42_7,d42_8,7).
7672bond(d42,d42_4,d42_9,7).
7673bond(d42,d42_9,d42_8,7).
7674bond(d42,d42_8,d42_10,1).
7675bond(d42,d42_6,d42_11,1).
7676bond(d42,d42_12,d42_11,2).
7677bond(d42,d42_11,d42_13,2).
7678bond(d42,d42_1,d42_14,1).
7679bond(d42,d42_2,d42_15,1).
7680bond(d42,d42_5,d42_16,1).
7681bond(d42,d42_9,d42_17,1).
7682bond(d42,d42_10,d42_18,1).
7683bond(d42,d42_10,d42_19,1).
7684bond(d42,d42_10,d42_20,1).
7685bond(d42,d42_7,d42_21,1).
7686atm(d43,d43_1,c,22,-0.122).
7687atm(d43,d43_2,c,22,-0.122).
7688atm(d43,d43_3,c,27,0.008).
7689atm(d43,d43_4,c,27,-0.092).
7690atm(d43,d43_5,c,28,0.008).
7691atm(d43,d43_6,c,22,-0.122).
7692atm(d43,d43_7,h,3,0.139).
7693atm(d43,d43_8,h,3,0.138).
7694atm(d43,d43_9,h,3,0.138).
7695atm(d43,d43_10,c,22,-0.122).
7696atm(d43,d43_11,c,22,-0.122).
7697atm(d43,d43_12,c,22,-0.122).
7698atm(d43,d43_13,c,29,0.008).
7699atm(d43,d43_14,h,3,0.139).
7700atm(d43,d43_15,h,3,0.138).
7701atm(d43,d43_16,c,28,0.008).
7702atm(d43,d43_17,c,28,0.008).
7703atm(d43,d43_18,c,22,-0.122).
7704atm(d43,d43_19,c,22,-0.122).
7705atm(d43,d43_20,c,22,-0.122).
7706atm(d43,d43_21,c,22,-0.122).
7707atm(d43,d43_22,h,3,0.139).
7708atm(d43,d43_23,h,3,0.138).
7709atm(d43,d43_24,h,3,0.138).
7710atm(d43,d43_25,n,38,0.809).
7711atm(d43,d43_26,o,40,-0.391).
7712atm(d43,d43_27,o,40,-0.391).
7713atm(d43,d43_28,h,3,0.138).
7714
7715bond(d43,d43_1,d43_2,7).
7716bond(d43,d43_2,d43_3,7).
7717bond(d43,d43_3,d43_4,7).
7718bond(d43,d43_4,d43_5,7).
7719bond(d43,d43_5,d43_6,7).
7720bond(d43,d43_6,d43_1,7).
7721bond(d43,d43_1,d43_7,1).
7722bond(d43,d43_2,d43_8,1).
7723bond(d43,d43_6,d43_9,1).
7724bond(d43,d43_3,d43_10,7).
7725bond(d43,d43_10,d43_11,7).
7726bond(d43,d43_11,d43_12,7).
7727bond(d43,d43_12,d43_13,7).
7728bond(d43,d43_13,d43_4,7).
7729bond(d43,d43_10,d43_14,1).
7730bond(d43,d43_12,d43_15,1).
7731bond(d43,d43_16,d43_17,7).
7732bond(d43,d43_17,d43_18,7).
7733bond(d43,d43_18,d43_19,7).
7734bond(d43,d43_19,d43_20,7).
7735bond(d43,d43_20,d43_21,7).
7736bond(d43,d43_21,d43_16,7).
7737bond(d43,d43_19,d43_22,1).
7738bond(d43,d43_20,d43_23,1).
7739bond(d43,d43_21,d43_24,1).
7740bond(d43,d43_16,d43_5,1).
7741bond(d43,d43_11,d43_25,1).
7742bond(d43,d43_26,d43_25,2).
7743bond(d43,d43_25,d43_27,2).
7744bond(d43,d43_18,d43_28,1).
7745bond(d43,d43_17,d43_13,1).
7746atm(d44,d44_1,c,22,-0.125).
7747atm(d44,d44_2,c,22,-0.125).
7748atm(d44,d44_3,c,22,-0.125).
7749atm(d44,d44_4,c,29,0.005).
7750atm(d44,d44_5,c,22,0.005).
7751atm(d44,d44_6,c,22,-0.125).
7752atm(d44,d44_7,c,29,0.005).
7753atm(d44,d44_8,c,22,0.005).
7754atm(d44,d44_9,c,10,-0.095).
7755atm(d44,d44_10,c,10,-0.095).
7756atm(d44,d44_11,c,22,-0.125).
7757atm(d44,d44_12,c,22,-0.125).
7758atm(d44,d44_13,c,22,-0.125).
7759atm(d44,d44_14,c,22,-0.125).
7760atm(d44,d44_15,n,38,0.804).
7761atm(d44,d44_16,o,40,-0.396).
7762atm(d44,d44_17,o,40,-0.396).
7763atm(d44,d44_18,h,3,0.134).
7764atm(d44,d44_19,h,3,0.134).
7765atm(d44,d44_20,h,3,0.134).
7766atm(d44,d44_21,h,3,0.134).
7767atm(d44,d44_22,h,3,0.134).
7768atm(d44,d44_23,h,3,0.134).
7769atm(d44,d44_24,h,3,0.134).
7770atm(d44,d44_25,h,3,0.055).
7771atm(d44,d44_26,h,3,0.055).
7772atm(d44,d44_27,h,3,0.055).
7773atm(d44,d44_28,h,3,0.055).
7774
7775bond(d44,d44_1,d44_2,7).
7776bond(d44,d44_2,d44_3,7).
7777bond(d44,d44_3,d44_4,7).
7778bond(d44,d44_4,d44_5,7).
7779bond(d44,d44_5,d44_6,7).
7780bond(d44,d44_6,d44_1,7).
7781bond(d44,d44_4,d44_7,1).
7782bond(d44,d44_7,d44_8,7).
7783bond(d44,d44_8,d44_9,1).
7784bond(d44,d44_9,d44_10,1).
7785bond(d44,d44_10,d44_5,1).
7786bond(d44,d44_7,d44_11,7).
7787bond(d44,d44_11,d44_12,7).
7788bond(d44,d44_12,d44_13,7).
7789bond(d44,d44_13,d44_14,7).
7790bond(d44,d44_14,d44_8,7).
7791bond(d44,d44_13,d44_15,1).
7792bond(d44,d44_16,d44_15,2).
7793bond(d44,d44_15,d44_17,2).
7794bond(d44,d44_1,d44_18,1).
7795bond(d44,d44_2,d44_19,1).
7796bond(d44,d44_3,d44_20,1).
7797bond(d44,d44_6,d44_21,1).
7798bond(d44,d44_11,d44_22,1).
7799bond(d44,d44_12,d44_23,1).
7800bond(d44,d44_14,d44_24,1).
7801bond(d44,d44_9,d44_25,1).
7802bond(d44,d44_9,d44_26,1).
7803bond(d44,d44_10,d44_27,1).
7804bond(d44,d44_10,d44_28,1).
7805atm(d45,d45_1,c,22,-0.114).
7806atm(d45,d45_2,c,22,-0.114).
7807atm(d45,d45_3,c,22,-0.114).
7808atm(d45,d45_4,c,22,-0.114).
7809atm(d45,d45_5,c,22,-0.114).
7810atm(d45,d45_6,c,22,-0.114).
7811atm(d45,d45_7,h,3,0.146).
7812atm(d45,d45_8,h,3,0.146).
7813atm(d45,d45_9,h,3,0.146).
7814atm(d45,d45_10,h,3,0.146).
7815atm(d45,d45_11,n,38,0.817).
7816atm(d45,d45_12,n,38,0.817).
7817atm(d45,d45_13,o,40,-0.383).
7818atm(d45,d45_14,o,40,-0.384).
7819atm(d45,d45_15,o,40,-0.384).
7820atm(d45,d45_16,o,40,-0.383).
7821
7822bond(d45,d45_1,d45_2,7).
7823bond(d45,d45_2,d45_3,7).
7824bond(d45,d45_3,d45_4,7).
7825bond(d45,d45_4,d45_5,7).
7826bond(d45,d45_5,d45_6,7).
7827bond(d45,d45_6,d45_1,7).
7828bond(d45,d45_1,d45_7,1).
7829bond(d45,d45_3,d45_8,1).
7830bond(d45,d45_4,d45_9,1).
7831bond(d45,d45_6,d45_10,1).
7832bond(d45,d45_11,d45_5,1).
7833bond(d45,d45_2,d45_12,1).
7834bond(d45,d45_13,d45_11,2).
7835bond(d45,d45_11,d45_14,2).
7836bond(d45,d45_12,d45_15,2).
7837bond(d45,d45_12,d45_16,2).
7838atm(d46,d46_1,c,10,-0.091).
7839atm(d46,d46_2,c,10,-0.091).
7840atm(d46,d46_3,c,22,0.009).
7841atm(d46,d46_4,c,22,0.009).
7842atm(d46,d46_5,c,10,-0.091).
7843atm(d46,d46_6,c,10,-0.091).
7844atm(d46,d46_7,c,22,-0.122).
7845atm(d46,d46_8,c,27,0.009).
7846atm(d46,d46_9,c,27,-0.091).
7847atm(d46,d46_10,c,27,0.009).
7848atm(d46,d46_11,c,22,-0.121).
7849atm(d46,d46_12,c,22,-0.122).
7850atm(d46,d46_13,c,27,0.009).
7851atm(d46,d46_14,c,27,-0.091).
7852atm(d46,d46_15,c,27,0.009).
7853atm(d46,d46_16,c,22,-0.121).
7854atm(d46,d46_17,c,22,-0.121).
7855atm(d46,d46_18,c,22,-0.121).
7856atm(d46,d46_19,c,22,-0.121).
7857atm(d46,d46_20,c,22,-0.121).
7858atm(d46,d46_21,n,38,0.808).
7859atm(d46,d46_22,o,40,-0.392).
7860atm(d46,d46_23,o,40,-0.392).
7861atm(d46,d46_24,h,3,0.138).
7862atm(d46,d46_25,h,3,0.138).
7863atm(d46,d46_26,h,3,0.138).
7864atm(d46,d46_27,h,3,0.138).
7865atm(d46,d46_28,h,3,0.138).
7866atm(d46,d46_29,h,3,0.138).
7867atm(d46,d46_30,h,3,0.138).
7868atm(d46,d46_31,h,3,0.059).
7869atm(d46,d46_32,h,3,0.059).
7870atm(d46,d46_33,h,3,0.059).
7871atm(d46,d46_34,h,3,0.059).
7872atm(d46,d46_35,h,3,0.059).
7873atm(d46,d46_36,h,3,0.059).
7874atm(d46,d46_37,h,3,0.059).
7875atm(d46,d46_38,h,3,0.059).
7876
7877bond(d46,d46_1,d46_2,1).
7878bond(d46,d46_2,d46_3,1).
7879bond(d46,d46_3,d46_4,7).
7880bond(d46,d46_4,d46_5,1).
7881bond(d46,d46_5,d46_6,1).
7882bond(d46,d46_6,d46_1,1).
7883bond(d46,d46_3,d46_7,7).
7884bond(d46,d46_7,d46_8,7).
7885bond(d46,d46_8,d46_9,7).
7886bond(d46,d46_9,d46_10,7).
7887bond(d46,d46_10,d46_4,7).
7888bond(d46,d46_8,d46_11,7).
7889bond(d46,d46_11,d46_12,7).
7890bond(d46,d46_12,d46_13,7).
7891bond(d46,d46_13,d46_14,7).
7892bond(d46,d46_14,d46_9,7).
7893bond(d46,d46_14,d46_15,7).
7894bond(d46,d46_15,d46_16,7).
7895bond(d46,d46_16,d46_17,7).
7896bond(d46,d46_17,d46_10,7).
7897bond(d46,d46_13,d46_18,7).
7898bond(d46,d46_18,d46_19,7).
7899bond(d46,d46_19,d46_20,7).
7900bond(d46,d46_20,d46_15,7).
7901bond(d46,d46_21,d46_20,1).
7902bond(d46,d46_21,d46_22,2).
7903bond(d46,d46_23,d46_21,2).
7904bond(d46,d46_7,d46_24,1).
7905bond(d46,d46_11,d46_25,1).
7906bond(d46,d46_12,d46_26,1).
7907bond(d46,d46_16,d46_27,1).
7908bond(d46,d46_17,d46_28,1).
7909bond(d46,d46_18,d46_29,1).
7910bond(d46,d46_19,d46_30,1).
7911bond(d46,d46_5,d46_31,1).
7912bond(d46,d46_5,d46_32,1).
7913bond(d46,d46_1,d46_33,1).
7914bond(d46,d46_1,d46_34,1).
7915bond(d46,d46_6,d46_35,1).
7916bond(d46,d46_6,d46_36,1).
7917bond(d46,d46_2,d46_37,1).
7918bond(d46,d46_2,d46_38,1).
7919atm(d47,d47_1,c,22,-0.122).
7920atm(d47,d47_2,c,22,-0.122).
7921atm(d47,d47_3,c,22,0.008).
7922atm(d47,d47_4,c,29,0.008).
7923atm(d47,d47_5,c,22,0.008).
7924atm(d47,d47_6,c,22,-0.122).
7925atm(d47,d47_7,c,10,-0.092).
7926atm(d47,d47_8,c,10,-0.092).
7927atm(d47,d47_9,c,22,0.008).
7928atm(d47,d47_10,c,29,0.008).
7929atm(d47,d47_11,c,22,0.008).
7930atm(d47,d47_12,c,10,-0.092).
7931atm(d47,d47_13,c,10,-0.092).
7932atm(d47,d47_14,c,22,-0.123).
7933atm(d47,d47_15,c,22,-0.123).
7934atm(d47,d47_16,c,22,-0.122).
7935atm(d47,d47_17,n,38,0.807).
7936atm(d47,d47_18,n,38,0.807).
7937atm(d47,d47_19,o,40,-0.393).
7938atm(d47,d47_20,o,40,-0.393).
7939atm(d47,d47_21,o,40,-0.393).
7940atm(d47,d47_22,o,40,-0.393).
7941atm(d47,d47_23,h,3,0.137).
7942atm(d47,d47_24,h,3,0.137).
7943atm(d47,d47_25,h,3,0.058).
7944atm(d47,d47_26,h,3,0.058).
7945atm(d47,d47_27,h,3,0.058).
7946atm(d47,d47_28,h,3,0.058).
7947atm(d47,d47_29,h,3,0.137).
7948atm(d47,d47_30,h,3,0.137).
7949atm(d47,d47_31,h,3,0.058).
7950atm(d47,d47_32,h,3,0.058).
7951atm(d47,d47_33,h,3,0.058).
7952atm(d47,d47_34,h,3,0.058).
7953
7954bond(d47,d47_1,d47_2,7).
7955bond(d47,d47_2,d47_3,7).
7956bond(d47,d47_3,d47_4,7).
7957bond(d47,d47_4,d47_5,7).
7958bond(d47,d47_5,d47_6,7).
7959bond(d47,d47_6,d47_1,7).
7960bond(d47,d47_3,d47_7,1).
7961bond(d47,d47_7,d47_8,1).
7962bond(d47,d47_8,d47_9,1).
7963bond(d47,d47_9,d47_10,7).
7964bond(d47,d47_10,d47_4,1).
7965bond(d47,d47_10,d47_11,7).
7966bond(d47,d47_11,d47_12,1).
7967bond(d47,d47_12,d47_13,1).
7968bond(d47,d47_13,d47_5,1).
7969bond(d47,d47_9,d47_14,7).
7970bond(d47,d47_14,d47_15,7).
7971bond(d47,d47_15,d47_16,7).
7972bond(d47,d47_16,d47_11,7).
7973bond(d47,d47_15,d47_17,1).
7974bond(d47,d47_1,d47_18,1).
7975bond(d47,d47_19,d47_17,2).
7976bond(d47,d47_17,d47_20,2).
7977bond(d47,d47_21,d47_18,2).
7978bond(d47,d47_18,d47_22,2).
7979bond(d47,d47_2,d47_23,1).
7980bond(d47,d47_6,d47_24,1).
7981bond(d47,d47_7,d47_25,1).
7982bond(d47,d47_7,d47_26,1).
7983bond(d47,d47_8,d47_27,1).
7984bond(d47,d47_8,d47_28,1).
7985bond(d47,d47_14,d47_29,1).
7986bond(d47,d47_16,d47_30,1).
7987bond(d47,d47_12,d47_31,1).
7988bond(d47,d47_12,d47_32,1).
7989bond(d47,d47_13,d47_33,1).
7990bond(d47,d47_13,d47_34,1).
7991atm(d48,d48_1,c,22,-0.125).
7992atm(d48,d48_2,c,22,-0.125).
7993atm(d48,d48_3,c,27,0.005).
7994atm(d48,d48_4,c,27,0.005).
7995atm(d48,d48_5,c,22,-0.125).
7996atm(d48,d48_6,c,22,-0.125).
7997atm(d48,d48_7,h,3,0.135).
7998atm(d48,d48_8,h,3,0.135).
7999atm(d48,d48_9,h,3,0.135).
8000atm(d48,d48_10,h,3,0.135).
8001atm(d48,d48_11,c,22,-0.125).
8002atm(d48,d48_12,c,27,0.005).
8003atm(d48,d48_13,c,27,0.005).
8004atm(d48,d48_14,c,22,-0.125).
8005atm(d48,d48_15,h,3,0.135).
8006atm(d48,d48_16,h,3,0.135).
8007atm(d48,d48_17,c,22,-0.125).
8008atm(d48,d48_18,c,22,-0.125).
8009atm(d48,d48_19,c,22,-0.125).
8010atm(d48,d48_20,c,22,-0.125).
8011atm(d48,d48_21,h,3,0.135).
8012atm(d48,d48_22,h,3,0.135).
8013atm(d48,d48_23,h,3,0.135).
8014atm(d48,d48_24,n,38,0.805).
8015atm(d48,d48_25,o,40,-0.395).
8016atm(d48,d48_26,o,40,-0.395).
8017
8018bond(d48,d48_1,d48_2,7).
8019bond(d48,d48_2,d48_3,7).
8020bond(d48,d48_3,d48_4,7).
8021bond(d48,d48_4,d48_5,7).
8022bond(d48,d48_5,d48_6,7).
8023bond(d48,d48_6,d48_1,7).
8024bond(d48,d48_1,d48_7,1).
8025bond(d48,d48_2,d48_8,1).
8026bond(d48,d48_5,d48_9,1).
8027bond(d48,d48_6,d48_10,1).
8028bond(d48,d48_3,d48_11,7).
8029bond(d48,d48_11,d48_12,7).
8030bond(d48,d48_12,d48_13,7).
8031bond(d48,d48_13,d48_14,7).
8032bond(d48,d48_14,d48_4,7).
8033bond(d48,d48_11,d48_15,1).
8034bond(d48,d48_14,d48_16,1).
8035bond(d48,d48_12,d48_17,7).
8036bond(d48,d48_17,d48_18,7).
8037bond(d48,d48_18,d48_19,7).
8038bond(d48,d48_19,d48_20,7).
8039bond(d48,d48_20,d48_13,7).
8040bond(d48,d48_17,d48_21,1).
8041bond(d48,d48_18,d48_22,1).
8042bond(d48,d48_20,d48_23,1).
8043bond(d48,d48_19,d48_24,1).
8044bond(d48,d48_25,d48_24,2).
8045bond(d48,d48_24,d48_26,2).
8046atm(d49,d49_1,c,22,-0.142).
8047atm(d49,d49_2,c,22,-0.142).
8048atm(d49,d49_3,c,22,0.188).
8049atm(d49,d49_4,c,22,0.188).
8050atm(d49,d49_5,c,22,-0.142).
8051atm(d49,d49_6,c,22,-0.142).
8052atm(d49,d49_7,h,3,0.118).
8053atm(d49,d49_8,h,3,0.118).
8054atm(d49,d49_9,h,3,0.118).
8055atm(d49,d49_10,c,22,0.188).
8056atm(d49,d49_11,c,22,-0.142).
8057atm(d49,d49_12,c,22,-0.142).
8058atm(d49,d49_13,c,22,-0.142).
8059atm(d49,d49_14,c,22,-0.142).
8060atm(d49,d49_15,c,22,0.188).
8061atm(d49,d49_16,h,3,0.118).
8062atm(d49,d49_17,h,3,0.118).
8063atm(d49,d49_18,h,3,0.118).
8064atm(d49,d49_19,n,32,-0.412).
8065atm(d49,d49_20,n,32,-0.412).
8066atm(d49,d49_21,h,1,0.288).
8067atm(d49,d49_22,h,1,0.288).
8068atm(d49,d49_23,n,38,0.787).
8069atm(d49,d49_24,n,38,0.787).
8070atm(d49,d49_25,o,40,-0.413).
8071atm(d49,d49_26,o,40,-0.413).
8072atm(d49,d49_27,o,40,-0.412).
8073atm(d49,d49_28,o,40,-0.412).
8074
8075bond(d49,d49_1,d49_2,7).
8076bond(d49,d49_2,d49_3,7).
8077bond(d49,d49_3,d49_4,7).
8078bond(d49,d49_4,d49_5,7).
8079bond(d49,d49_5,d49_6,7).
8080bond(d49,d49_6,d49_1,7).
8081bond(d49,d49_1,d49_7,1).
8082bond(d49,d49_2,d49_8,1).
8083bond(d49,d49_5,d49_9,1).
8084bond(d49,d49_10,d49_11,7).
8085bond(d49,d49_11,d49_12,7).
8086bond(d49,d49_12,d49_13,7).
8087bond(d49,d49_13,d49_14,7).
8088bond(d49,d49_14,d49_15,7).
8089bond(d49,d49_15,d49_10,7).
8090bond(d49,d49_11,d49_16,1).
8091bond(d49,d49_12,d49_17,1).
8092bond(d49,d49_14,d49_18,1).
8093bond(d49,d49_3,d49_19,1).
8094bond(d49,d49_19,d49_10,1).
8095bond(d49,d49_15,d49_20,1).
8096bond(d49,d49_20,d49_4,1).
8097bond(d49,d49_19,d49_21,1).
8098bond(d49,d49_20,d49_22,1).
8099bond(d49,d49_23,d49_13,1).
8100bond(d49,d49_24,d49_6,1).
8101bond(d49,d49_25,d49_23,2).
8102bond(d49,d49_23,d49_26,2).
8103bond(d49,d49_27,d49_24,2).
8104bond(d49,d49_24,d49_28,2).
8105atm(d5,d5_1,c,22,0.309).
8106atm(d5,d5_2,c,22,-0.121).
8107atm(d5,d5_3,c,22,-0.121).
8108atm(d5,d5_4,c,22,0.31).
8109atm(d5,d5_5,c,22,-0.121).
8110atm(d5,d5_6,c,22,-0.121).
8111atm(d5,d5_7,h,3,0.139).
8112atm(d5,d5_8,h,3,0.139).
8113atm(d5,d5_9,h,3,0.139).
8114atm(d5,d5_10,n,38,0.81).
8115atm(d5,d5_11,f,92,-0.291).
8116atm(d5,d5_12,f,92,-0.291).
8117atm(d5,d5_13,o,40,-0.39).
8118atm(d5,d5_14,o,40,-0.39).
8119
8120bond(d5,d5_1,d5_2,7).
8121bond(d5,d5_2,d5_3,7).
8122bond(d5,d5_3,d5_4,7).
8123bond(d5,d5_4,d5_5,7).
8124bond(d5,d5_5,d5_6,7).
8125bond(d5,d5_6,d5_1,7).
8126bond(d5,d5_2,d5_7,1).
8127bond(d5,d5_3,d5_8,1).
8128bond(d5,d5_6,d5_9,1).
8129bond(d5,d5_10,d5_5,1).
8130bond(d5,d5_11,d5_4,1).
8131bond(d5,d5_12,d5_1,1).
8132bond(d5,d5_10,d5_13,2).
8133bond(d5,d5_10,d5_14,2).
8134atm(d50,d50_1,c,22,-0.118).
8135atm(d50,d50_2,c,22,-0.118).
8136atm(d50,d50_3,c,27,0.012).
8137atm(d50,d50_4,c,27,0.012).
8138atm(d50,d50_5,c,22,-0.118).
8139atm(d50,d50_6,c,22,-0.118).
8140atm(d50,d50_7,h,3,0.142).
8141atm(d50,d50_8,h,3,0.142).
8142atm(d50,d50_9,h,3,0.142).
8143atm(d50,d50_10,c,22,-0.118).
8144atm(d50,d50_11,c,22,-0.118).
8145atm(d50,d50_12,c,22,-0.118).
8146atm(d50,d50_13,c,22,-0.118).
8147atm(d50,d50_14,h,3,0.142).
8148atm(d50,d50_15,h,3,0.142).
8149atm(d50,d50_16,h,3,0.142).
8150atm(d50,d50_17,n,38,0.811).
8151atm(d50,d50_18,n,38,0.811).
8152atm(d50,d50_19,o,40,-0.389).
8153atm(d50,d50_20,o,40,-0.389).
8154atm(d50,d50_21,o,40,-0.388).
8155atm(d50,d50_22,o,40,-0.388).
8156
8157bond(d50,d50_1,d50_2,7).
8158bond(d50,d50_2,d50_3,7).
8159bond(d50,d50_3,d50_4,7).
8160bond(d50,d50_4,d50_5,7).
8161bond(d50,d50_5,d50_6,7).
8162bond(d50,d50_6,d50_1,7).
8163bond(d50,d50_1,d50_7,1).
8164bond(d50,d50_5,d50_8,1).
8165bond(d50,d50_6,d50_9,1).
8166bond(d50,d50_3,d50_10,7).
8167bond(d50,d50_10,d50_11,7).
8168bond(d50,d50_11,d50_12,7).
8169bond(d50,d50_12,d50_13,7).
8170bond(d50,d50_13,d50_4,7).
8171bond(d50,d50_10,d50_14,1).
8172bond(d50,d50_11,d50_15,1).
8173bond(d50,d50_13,d50_16,1).
8174bond(d50,d50_12,d50_17,1).
8175bond(d50,d50_2,d50_18,1).
8176bond(d50,d50_19,d50_17,2).
8177bond(d50,d50_17,d50_20,2).
8178bond(d50,d50_18,d50_21,2).
8179bond(d50,d50_18,d50_22,2).
8180atm(d51,d51_1,c,22,-0.118).
8181atm(d51,d51_2,c,22,-0.118).
8182atm(d51,d51_3,c,27,0.012).
8183atm(d51,d51_4,c,27,-0.089).
8184atm(d51,d51_5,c,27,0.012).
8185atm(d51,d51_6,c,22,-0.118).
8186atm(d51,d51_7,c,22,-0.118).
8187atm(d51,d51_8,c,22,-0.118).
8188atm(d51,d51_9,c,27,0.012).
8189atm(d51,d51_10,c,27,-0.089).
8190atm(d51,d51_11,c,27,0.012).
8191atm(d51,d51_12,c,22,0.012).
8192atm(d51,d51_13,c,22,0.012).
8193atm(d51,d51_14,c,22,-0.118).
8194atm(d51,d51_15,c,22,-0.118).
8195atm(d51,d51_16,c,22,-0.118).
8196atm(d51,d51_17,c,10,-0.089).
8197atm(d51,d51_18,c,10,-0.089).
8198atm(d51,d51_19,c,10,-0.089).
8199atm(d51,d51_20,c,10,-0.089).
8200atm(d51,d51_21,n,38,0.811).
8201atm(d51,d51_22,n,38,0.811).
8202atm(d51,d51_23,o,40,-0.39).
8203atm(d51,d51_24,o,40,-0.389).
8204atm(d51,d51_25,o,40,-0.389).
8205atm(d51,d51_26,o,40,-0.39).
8206atm(d51,d51_27,h,3,0.141).
8207atm(d51,d51_28,h,3,0.141).
8208atm(d51,d51_29,h,3,0.141).
8209atm(d51,d51_30,h,3,0.141).
8210atm(d51,d51_31,h,3,0.141).
8211atm(d51,d51_32,h,3,0.141).
8212atm(d51,d51_33,h,3,0.062).
8213atm(d51,d51_34,h,3,0.062).
8214atm(d51,d51_35,h,3,0.062).
8215atm(d51,d51_36,h,3,0.062).
8216atm(d51,d51_37,h,3,0.062).
8217atm(d51,d51_38,h,3,0.062).
8218atm(d51,d51_39,h,3,0.062).
8219atm(d51,d51_40,h,3,0.062).
8220
8221bond(d51,d51_1,d51_2,7).
8222bond(d51,d51_2,d51_3,7).
8223bond(d51,d51_3,d51_4,7).
8224bond(d51,d51_4,d51_5,7).
8225bond(d51,d51_5,d51_6,7).
8226bond(d51,d51_6,d51_1,7).
8227bond(d51,d51_3,d51_7,7).
8228bond(d51,d51_7,d51_8,7).
8229bond(d51,d51_8,d51_9,7).
8230bond(d51,d51_9,d51_10,7).
8231bond(d51,d51_10,d51_4,7).
8232bond(d51,d51_10,d51_11,7).
8233bond(d51,d51_11,d51_12,7).
8234bond(d51,d51_12,d51_13,7).
8235bond(d51,d51_13,d51_5,7).
8236bond(d51,d51_9,d51_14,7).
8237bond(d51,d51_14,d51_15,7).
8238bond(d51,d51_15,d51_16,7).
8239bond(d51,d51_16,d51_11,7).
8240bond(d51,d51_12,d51_17,1).
8241bond(d51,d51_17,d51_18,1).
8242bond(d51,d51_18,d51_19,1).
8243bond(d51,d51_19,d51_20,1).
8244bond(d51,d51_20,d51_13,1).
8245bond(d51,d51_21,d51_16,1).
8246bond(d51,d51_2,d51_22,1).
8247bond(d51,d51_23,d51_21,2).
8248bond(d51,d51_21,d51_24,2).
8249bond(d51,d51_22,d51_25,2).
8250bond(d51,d51_22,d51_26,2).
8251bond(d51,d51_1,d51_27,1).
8252bond(d51,d51_6,d51_28,1).
8253bond(d51,d51_7,d51_29,1).
8254bond(d51,d51_8,d51_30,1).
8255bond(d51,d51_14,d51_31,1).
8256bond(d51,d51_15,d51_32,1).
8257bond(d51,d51_17,d51_33,1).
8258bond(d51,d51_17,d51_34,1).
8259bond(d51,d51_18,d51_35,1).
8260bond(d51,d51_18,d51_36,1).
8261bond(d51,d51_19,d51_37,1).
8262bond(d51,d51_19,d51_38,1).
8263bond(d51,d51_20,d51_39,1).
8264bond(d51,d51_20,d51_40,1).
8265atm(d52,d52_1,c,22,-0.118).
8266atm(d52,d52_2,c,22,-0.118).
8267atm(d52,d52_3,c,27,0.012).
8268atm(d52,d52_4,c,27,-0.089).
8269atm(d52,d52_5,c,27,0.012).
8270atm(d52,d52_6,c,22,-0.118).
8271atm(d52,d52_7,c,22,-0.118).
8272atm(d52,d52_8,c,22,-0.118).
8273atm(d52,d52_9,c,27,0.012).
8274atm(d52,d52_10,c,27,-0.089).
8275atm(d52,d52_11,c,27,0.012).
8276atm(d52,d52_12,c,22,0.012).
8277atm(d52,d52_13,c,22,0.012).
8278atm(d52,d52_14,c,22,-0.118).
8279atm(d52,d52_15,c,22,-0.118).
8280atm(d52,d52_16,c,22,-0.118).
8281atm(d52,d52_17,c,10,-0.089).
8282atm(d52,d52_18,c,10,-0.089).
8283atm(d52,d52_19,c,10,-0.089).
8284atm(d52,d52_20,c,10,-0.089).
8285atm(d52,d52_21,n,38,0.811).
8286atm(d52,d52_22,o,40,-0.389).
8287atm(d52,d52_23,o,40,-0.39).
8288atm(d52,d52_24,n,38,0.811).
8289atm(d52,d52_25,o,40,-0.389).
8290atm(d52,d52_26,o,40,-0.39).
8291atm(d52,d52_27,h,3,0.141).
8292atm(d52,d52_28,h,3,0.141).
8293atm(d52,d52_29,h,3,0.141).
8294atm(d52,d52_30,h,3,0.141).
8295atm(d52,d52_31,h,3,0.141).
8296atm(d52,d52_32,h,3,0.141).
8297atm(d52,d52_33,h,3,0.062).
8298atm(d52,d52_34,h,3,0.062).
8299atm(d52,d52_35,h,3,0.062).
8300atm(d52,d52_36,h,3,0.062).
8301atm(d52,d52_37,h,3,0.062).
8302atm(d52,d52_38,h,3,0.062).
8303atm(d52,d52_39,h,3,0.062).
8304atm(d52,d52_40,h,3,0.062).
8305
8306bond(d52,d52_1,d52_2,7).
8307bond(d52,d52_2,d52_3,7).
8308bond(d52,d52_3,d52_4,7).
8309bond(d52,d52_4,d52_5,7).
8310bond(d52,d52_5,d52_6,7).
8311bond(d52,d52_6,d52_1,7).
8312bond(d52,d52_3,d52_7,7).
8313bond(d52,d52_7,d52_8,7).
8314bond(d52,d52_8,d52_9,7).
8315bond(d52,d52_9,d52_10,7).
8316bond(d52,d52_10,d52_4,7).
8317bond(d52,d52_10,d52_11,7).
8318bond(d52,d52_11,d52_12,7).
8319bond(d52,d52_12,d52_13,7).
8320bond(d52,d52_13,d52_5,7).
8321bond(d52,d52_9,d52_14,7).
8322bond(d52,d52_14,d52_15,7).
8323bond(d52,d52_15,d52_16,7).
8324bond(d52,d52_16,d52_11,7).
8325bond(d52,d52_12,d52_17,1).
8326bond(d52,d52_17,d52_18,1).
8327bond(d52,d52_18,d52_19,1).
8328bond(d52,d52_19,d52_20,1).
8329bond(d52,d52_20,d52_13,1).
8330bond(d52,d52_21,d52_16,1).
8331bond(d52,d52_22,d52_21,2).
8332bond(d52,d52_21,d52_23,2).
8333bond(d52,d52_14,d52_24,1).
8334bond(d52,d52_25,d52_24,2).
8335bond(d52,d52_24,d52_26,2).
8336bond(d52,d52_1,d52_27,1).
8337bond(d52,d52_2,d52_28,1).
8338bond(d52,d52_6,d52_29,1).
8339bond(d52,d52_7,d52_30,1).
8340bond(d52,d52_8,d52_31,1).
8341bond(d52,d52_15,d52_32,1).
8342bond(d52,d52_17,d52_33,1).
8343bond(d52,d52_17,d52_34,1).
8344bond(d52,d52_18,d52_35,1).
8345bond(d52,d52_18,d52_36,1).
8346bond(d52,d52_19,d52_37,1).
8347bond(d52,d52_19,d52_38,1).
8348bond(d52,d52_20,d52_39,1).
8349bond(d52,d52_20,d52_40,1).
8350atm(d53,d53_1,c,22,-0.114).
8351atm(d53,d53_2,c,22,-0.114).
8352atm(d53,d53_3,c,22,-0.114).
8353atm(d53,d53_4,c,29,0.016).
8354atm(d53,d53_5,c,22,-0.114).
8355atm(d53,d53_6,c,22,-0.114).
8356atm(d53,d53_7,h,3,0.145).
8357atm(d53,d53_8,h,3,0.145).
8358atm(d53,d53_9,h,3,0.145).
8359atm(d53,d53_10,c,22,-0.114).
8360atm(d53,d53_11,c,22,-0.114).
8361atm(d53,d53_12,c,22,-0.114).
8362atm(d53,d53_13,c,22,-0.114).
8363atm(d53,d53_14,c,22,-0.114).
8364atm(d53,d53_15,c,29,0.016).
8365atm(d53,d53_16,h,3,0.145).
8366atm(d53,d53_17,h,3,0.145).
8367atm(d53,d53_18,h,3,0.145).
8368atm(d53,d53_19,c,10,0.016).
8369atm(d53,d53_20,h,3,0.066).
8370atm(d53,d53_21,h,3,0.066).
8371atm(d53,d53_22,n,38,0.815).
8372atm(d53,d53_23,n,38,0.815).
8373atm(d53,d53_24,o,40,-0.385).
8374atm(d53,d53_25,o,40,-0.385).
8375atm(d53,d53_26,o,40,-0.385).
8376atm(d53,d53_27,o,40,-0.385).
8377
8378bond(d53,d53_1,d53_2,7).
8379bond(d53,d53_2,d53_3,7).
8380bond(d53,d53_3,d53_4,7).
8381bond(d53,d53_4,d53_5,7).
8382bond(d53,d53_5,d53_6,7).
8383bond(d53,d53_6,d53_1,7).
8384bond(d53,d53_2,d53_7,1).
8385bond(d53,d53_5,d53_8,1).
8386bond(d53,d53_6,d53_9,1).
8387bond(d53,d53_10,d53_11,7).
8388bond(d53,d53_11,d53_12,7).
8389bond(d53,d53_12,d53_13,7).
8390bond(d53,d53_13,d53_14,7).
8391bond(d53,d53_14,d53_15,7).
8392bond(d53,d53_15,d53_10,7).
8393bond(d53,d53_11,d53_16,1).
8394bond(d53,d53_13,d53_17,1).
8395bond(d53,d53_14,d53_18,1).
8396bond(d53,d53_4,d53_15,1).
8397bond(d53,d53_3,d53_19,1).
8398bond(d53,d53_19,d53_10,1).
8399bond(d53,d53_19,d53_20,1).
8400bond(d53,d53_19,d53_21,1).
8401bond(d53,d53_12,d53_22,1).
8402bond(d53,d53_1,d53_23,1).
8403bond(d53,d53_22,d53_24,2).
8404bond(d53,d53_22,d53_25,2).
8405bond(d53,d53_23,d53_26,2).
8406bond(d53,d53_23,d53_27,2).
8407atm(d54,d54_1,c,22,-0.108).
8408atm(d54,d54_2,c,22,-0.108).
8409atm(d54,d54_3,c,22,0.202).
8410atm(d54,d54_4,c,22,0.202).
8411atm(d54,d54_5,c,22,-0.108).
8412atm(d54,d54_6,c,22,-0.108).
8413atm(d54,d54_7,h,3,0.152).
8414atm(d54,d54_8,h,3,0.152).
8415atm(d54,d54_9,h,3,0.152).
8416atm(d54,d54_10,c,22,0.202).
8417atm(d54,d54_11,c,22,-0.108).
8418atm(d54,d54_12,c,22,-0.108).
8419atm(d54,d54_13,c,22,-0.108).
8420atm(d54,d54_14,c,22,-0.108).
8421atm(d54,d54_15,c,22,0.202).
8422atm(d54,d54_16,h,3,0.152).
8423atm(d54,d54_17,h,3,0.152).
8424atm(d54,d54_18,o,50,-0.208).
8425atm(d54,d54_19,o,50,-0.208).
8426atm(d54,d54_20,n,38,0.823).
8427atm(d54,d54_21,o,40,-0.377).
8428atm(d54,d54_22,o,40,-0.378).
8429atm(d54,d54_23,cl,93,-0.178).
8430atm(d54,d54_24,cl,93,-0.178).
8431
8432bond(d54,d54_1,d54_2,7).
8433bond(d54,d54_2,d54_3,7).
8434bond(d54,d54_3,d54_4,7).
8435bond(d54,d54_4,d54_5,7).
8436bond(d54,d54_5,d54_6,7).
8437bond(d54,d54_6,d54_1,7).
8438bond(d54,d54_2,d54_7,1).
8439bond(d54,d54_5,d54_8,1).
8440bond(d54,d54_6,d54_9,1).
8441bond(d54,d54_10,d54_11,7).
8442bond(d54,d54_11,d54_12,7).
8443bond(d54,d54_12,d54_13,7).
8444bond(d54,d54_13,d54_14,7).
8445bond(d54,d54_14,d54_15,7).
8446bond(d54,d54_15,d54_10,7).
8447bond(d54,d54_11,d54_16,1).
8448bond(d54,d54_14,d54_17,1).
8449bond(d54,d54_3,d54_18,1).
8450bond(d54,d54_18,d54_10,1).
8451bond(d54,d54_15,d54_19,1).
8452bond(d54,d54_19,d54_4,1).
8453bond(d54,d54_1,d54_20,1).
8454bond(d54,d54_21,d54_20,2).
8455bond(d54,d54_20,d54_22,2).
8456bond(d54,d54_13,d54_23,1).
8457bond(d54,d54_12,d54_24,1).
8458atm(d55,d55_1,c,22,-0.123).
8459atm(d55,d55_2,c,22,-0.123).
8460atm(d55,d55_3,c,27,0.007).
8461atm(d55,d55_4,c,27,0.007).
8462atm(d55,d55_5,c,22,-0.123).
8463atm(d55,d55_6,c,22,-0.123).
8464atm(d55,d55_7,h,3,0.137).
8465atm(d55,d55_8,h,3,0.137).
8466atm(d55,d55_9,h,3,0.137).
8467atm(d55,d55_10,h,3,0.137).
8468atm(d55,d55_11,c,22,-0.123).
8469atm(d55,d55_12,c,22,-0.123).
8470atm(d55,d55_13,c,22,-0.123).
8471atm(d55,d55_14,c,22,-0.173).
8472atm(d55,d55_15,h,3,0.137).
8473atm(d55,d55_16,h,3,0.137).
8474atm(d55,d55_17,c,10,0.007).
8475atm(d55,d55_18,h,3,0.057).
8476atm(d55,d55_19,h,3,0.057).
8477atm(d55,d55_20,h,3,0.057).
8478atm(d55,d55_21,n,38,0.806).
8479atm(d55,d55_22,o,40,-0.393).
8480atm(d55,d55_23,o,40,-0.393).
8481
8482bond(d55,d55_1,d55_2,7).
8483bond(d55,d55_2,d55_3,7).
8484bond(d55,d55_3,d55_4,7).
8485bond(d55,d55_4,d55_5,7).
8486bond(d55,d55_5,d55_6,7).
8487bond(d55,d55_6,d55_1,7).
8488bond(d55,d55_1,d55_7,1).
8489bond(d55,d55_2,d55_8,1).
8490bond(d55,d55_5,d55_9,1).
8491bond(d55,d55_6,d55_10,1).
8492bond(d55,d55_3,d55_11,7).
8493bond(d55,d55_11,d55_12,7).
8494bond(d55,d55_12,d55_13,7).
8495bond(d55,d55_13,d55_14,7).
8496bond(d55,d55_14,d55_4,7).
8497bond(d55,d55_11,d55_15,1).
8498bond(d55,d55_12,d55_16,1).
8499bond(d55,d55_17,d55_14,1).
8500bond(d55,d55_17,d55_18,1).
8501bond(d55,d55_17,d55_19,1).
8502bond(d55,d55_17,d55_20,1).
8503bond(d55,d55_13,d55_21,1).
8504bond(d55,d55_22,d55_21,2).
8505bond(d55,d55_21,d55_23,2).
8506atm(d56,d56_1,c,22,-0.148).
8507atm(d56,d56_2,c,22,-0.148).
8508atm(d56,d56_3,c,22,0.182).
8509atm(d56,d56_4,c,22,0.182).
8510atm(d56,d56_5,c,22,-0.148).
8511atm(d56,d56_6,c,22,-0.148).
8512atm(d56,d56_7,h,3,0.112).
8513atm(d56,d56_8,h,3,0.112).
8514atm(d56,d56_9,h,3,0.112).
8515atm(d56,d56_10,h,3,0.112).
8516atm(d56,d56_11,c,22,0.182).
8517atm(d56,d56_12,c,22,-0.148).
8518atm(d56,d56_13,c,22,-0.148).
8519atm(d56,d56_14,c,22,-0.148).
8520atm(d56,d56_15,c,22,-0.148).
8521atm(d56,d56_16,c,22,0.182).
8522atm(d56,d56_17,h,3,0.112).
8523atm(d56,d56_18,h,3,0.112).
8524atm(d56,d56_19,h,3,0.112).
8525atm(d56,d56_20,n,32,-0.419).
8526atm(d56,d56_21,n,32,-0.418).
8527atm(d56,d56_22,h,1,0.282).
8528atm(d56,d56_23,h,1,0.282).
8529atm(d56,d56_24,n,38,0.781).
8530atm(d56,d56_25,o,40,-0.418).
8531atm(d56,d56_26,o,40,-0.418).
8532
8533bond(d56,d56_1,d56_2,7).
8534bond(d56,d56_2,d56_3,7).
8535bond(d56,d56_3,d56_4,7).
8536bond(d56,d56_4,d56_5,7).
8537bond(d56,d56_5,d56_6,7).
8538bond(d56,d56_6,d56_1,7).
8539bond(d56,d56_1,d56_7,1).
8540bond(d56,d56_2,d56_8,1).
8541bond(d56,d56_5,d56_9,1).
8542bond(d56,d56_6,d56_10,1).
8543bond(d56,d56_11,d56_12,7).
8544bond(d56,d56_12,d56_13,7).
8545bond(d56,d56_13,d56_14,7).
8546bond(d56,d56_14,d56_15,7).
8547bond(d56,d56_15,d56_16,7).
8548bond(d56,d56_16,d56_11,7).
8549bond(d56,d56_12,d56_17,1).
8550bond(d56,d56_13,d56_18,1).
8551bond(d56,d56_15,d56_19,1).
8552bond(d56,d56_3,d56_20,1).
8553bond(d56,d56_20,d56_11,1).
8554bond(d56,d56_16,d56_21,1).
8555bond(d56,d56_21,d56_4,1).
8556bond(d56,d56_20,d56_22,1).
8557bond(d56,d56_21,d56_23,1).
8558bond(d56,d56_14,d56_24,1).
8559bond(d56,d56_25,d56_24,2).
8560bond(d56,d56_24,d56_26,2).
8561atm(d57,d57_1,c,22,-0.116).
8562atm(d57,d57_2,c,22,-0.116).
8563atm(d57,d57_3,c,22,-0.116).
8564atm(d57,d57_4,c,29,0.014).
8565atm(d57,d57_5,c,22,-0.116).
8566atm(d57,d57_6,c,22,-0.116).
8567atm(d57,d57_7,h,3,0.144).
8568atm(d57,d57_8,h,3,0.144).
8569atm(d57,d57_9,h,3,0.144).
8570atm(d57,d57_10,h,3,0.144).
8571atm(d57,d57_11,c,29,0.014).
8572atm(d57,d57_12,c,22,-0.116).
8573atm(d57,d57_13,c,22,-0.116).
8574atm(d57,d57_14,c,22,-0.116).
8575atm(d57,d57_15,c,22,-0.116).
8576atm(d57,d57_16,c,22,-0.116).
8577atm(d57,d57_17,h,3,0.144).
8578atm(d57,d57_18,h,3,0.144).
8579atm(d57,d57_19,h,3,0.144).
8580atm(d57,d57_20,n,38,0.813).
8581atm(d57,d57_21,n,38,0.813).
8582atm(d57,d57_22,n,38,0.814).
8583atm(d57,d57_23,o,40,-0.386).
8584atm(d57,d57_24,o,40,-0.386).
8585atm(d57,d57_25,o,40,-0.386).
8586atm(d57,d57_26,o,40,-0.386).
8587atm(d57,d57_27,o,40,-0.386).
8588atm(d57,d57_28,o,40,-0.386).
8589
8590bond(d57,d57_1,d57_2,7).
8591bond(d57,d57_2,d57_3,7).
8592bond(d57,d57_3,d57_4,7).
8593bond(d57,d57_4,d57_5,7).
8594bond(d57,d57_5,d57_6,7).
8595bond(d57,d57_6,d57_1,7).
8596bond(d57,d57_2,d57_7,1).
8597bond(d57,d57_3,d57_8,1).
8598bond(d57,d57_5,d57_9,1).
8599bond(d57,d57_6,d57_10,1).
8600bond(d57,d57_11,d57_12,7).
8601bond(d57,d57_12,d57_13,7).
8602bond(d57,d57_13,d57_14,7).
8603bond(d57,d57_14,d57_15,7).
8604bond(d57,d57_15,d57_16,7).
8605bond(d57,d57_16,d57_11,7).
8606bond(d57,d57_12,d57_17,1).
8607bond(d57,d57_13,d57_18,1).
8608bond(d57,d57_15,d57_19,1).
8609bond(d57,d57_11,d57_4,1).
8610bond(d57,d57_20,d57_16,1).
8611bond(d57,d57_14,d57_21,1).
8612bond(d57,d57_1,d57_22,1).
8613bond(d57,d57_23,d57_20,2).
8614bond(d57,d57_20,d57_24,2).
8615bond(d57,d57_25,d57_21,2).
8616bond(d57,d57_21,d57_26,2).
8617bond(d57,d57_27,d57_22,2).
8618bond(d57,d57_22,d57_28,2).
8619atm(d58,d58_1,c,22,-0.099).
8620atm(d58,d58_2,c,22,-0.099).
8621atm(d58,d58_3,c,27,0.031).
8622atm(d58,d58_4,c,195,-0.069).
8623atm(d58,d58_5,c,22,-0.099).
8624atm(d58,d58_6,c,22,-0.099).
8625atm(d58,d58_7,c,22,-0.099).
8626atm(d58,d58_8,c,22,-0.099).
8627atm(d58,d58_9,c,27,0.031).
8628atm(d58,d58_10,c,195,-0.069).
8629atm(d58,d58_11,c,22,-0.099).
8630atm(d58,d58_12,c,10,0.031).
8631atm(d58,d58_13,c,10,0.031).
8632atm(d58,d58_14,c,22,-0.099).
8633atm(d58,d58_15,c,22,-0.099).
8634atm(d58,d58_16,c,22,-0.099).
8635atm(d58,d58_17,n,38,0.83).
8636atm(d58,d58_18,o,40,-0.369).
8637atm(d58,d58_19,o,40,-0.369).
8638atm(d58,d58_20,h,3,0.161).
8639atm(d58,d58_21,h,3,0.161).
8640atm(d58,d58_22,h,3,0.161).
8641atm(d58,d58_23,h,3,0.161).
8642atm(d58,d58_24,h,3,0.161).
8643atm(d58,d58_25,h,3,0.161).
8644atm(d58,d58_26,h,3,0.161).
8645atm(d58,d58_27,o,45,-0.62).
8646atm(d58,d58_28,o,45,-0.619).
8647atm(d58,d58_29,h,8,0.431).
8648atm(d58,d58_30,h,8,0.431).
8649atm(d58,d58_31,h,3,0.081).
8650atm(d58,d58_32,h,3,0.081).
8651
8652bond(d58,d58_1,d58_2,7).
8653bond(d58,d58_2,d58_3,7).
8654bond(d58,d58_3,d58_4,7).
8655bond(d58,d58_4,d58_5,7).
8656bond(d58,d58_5,d58_6,7).
8657bond(d58,d58_6,d58_1,7).
8658bond(d58,d58_3,d58_7,7).
8659bond(d58,d58_7,d58_8,7).
8660bond(d58,d58_8,d58_9,7).
8661bond(d58,d58_9,d58_10,7).
8662bond(d58,d58_10,d58_4,7).
8663bond(d58,d58_10,d58_11,7).
8664bond(d58,d58_11,d58_12,1).
8665bond(d58,d58_12,d58_13,1).
8666bond(d58,d58_13,d58_5,1).
8667bond(d58,d58_9,d58_14,7).
8668bond(d58,d58_14,d58_15,7).
8669bond(d58,d58_15,d58_16,7).
8670bond(d58,d58_16,d58_11,7).
8671bond(d58,d58_14,d58_17,1).
8672bond(d58,d58_17,d58_18,2).
8673bond(d58,d58_17,d58_19,2).
8674bond(d58,d58_1,d58_20,1).
8675bond(d58,d58_2,d58_21,1).
8676bond(d58,d58_6,d58_22,1).
8677bond(d58,d58_7,d58_23,1).
8678bond(d58,d58_8,d58_24,1).
8679bond(d58,d58_15,d58_25,1).
8680bond(d58,d58_16,d58_26,1).
8681bond(d58,d58_12,d58_27,4).
8682bond(d58,d58_13,d58_28,5).
8683bond(d58,d58_27,d58_29,1).
8684bond(d58,d58_28,d58_30,1).
8685bond(d58,d58_12,d58_31,1).
8686bond(d58,d58_13,d58_32,1).
8687atm(d59,d59_1,c,22,-0.115).
8688atm(d59,d59_2,c,27,0.015).
8689atm(d59,d59_3,c,27,-0.085).
8690atm(d59,d59_4,c,22,-0.115).
8691atm(d59,d59_5,c,22,-0.115).
8692atm(d59,d59_6,c,22,-0.115).
8693atm(d59,d59_7,c,22,-0.115).
8694atm(d59,d59_8,c,22,-0.115).
8695atm(d59,d59_9,c,27,0.015).
8696atm(d59,d59_10,c,27,-0.085).
8697atm(d59,d59_11,c,22,-0.115).
8698atm(d59,d59_12,c,27,0.015).
8699atm(d59,d59_13,c,27,-0.085).
8700atm(d59,d59_14,c,25,-0.085).
8701atm(d59,d59_15,c,22,-0.115).
8702atm(d59,d59_16,c,22,-0.115).
8703atm(d59,d59_17,c,22,-0.115).
8704atm(d59,d59_18,c,26,-0.085).
8705atm(d59,d59_19,c,21,-0.115).
8706atm(d59,d59_20,c,21,0.015).
8707atm(d59,d59_21,h,3,0.144).
8708atm(d59,d59_22,h,3,0.144).
8709atm(d59,d59_23,h,3,0.144).
8710atm(d59,d59_24,h,3,0.145).
8711atm(d59,d59_25,h,3,0.145).
8712atm(d59,d59_26,h,3,0.145).
8713atm(d59,d59_27,h,3,0.145).
8714atm(d59,d59_28,h,3,0.144).
8715atm(d59,d59_29,h,3,0.144).
8716atm(d59,d59_30,h,3,0.144).
8717atm(d59,d59_31,h,3,0.144).
8718atm(d59,d59_32,n,38,0.814).
8719atm(d59,d59_33,o,40,-0.386).
8720atm(d59,d59_34,o,40,-0.386).
8721
8722bond(d59,d59_1,d59_2,7).
8723bond(d59,d59_2,d59_3,7).
8724bond(d59,d59_3,d59_4,7).
8725bond(d59,d59_4,d59_5,7).
8726bond(d59,d59_5,d59_6,7).
8727bond(d59,d59_6,d59_1,7).
8728bond(d59,d59_2,d59_7,7).
8729bond(d59,d59_7,d59_8,7).
8730bond(d59,d59_8,d59_9,7).
8731bond(d59,d59_9,d59_10,7).
8732bond(d59,d59_10,d59_3,7).
8733bond(d59,d59_9,d59_11,7).
8734bond(d59,d59_11,d59_12,7).
8735bond(d59,d59_12,d59_13,7).
8736bond(d59,d59_13,d59_14,7).
8737bond(d59,d59_14,d59_10,7).
8738bond(d59,d59_12,d59_15,7).
8739bond(d59,d59_15,d59_16,7).
8740bond(d59,d59_16,d59_17,7).
8741bond(d59,d59_17,d59_18,7).
8742bond(d59,d59_18,d59_13,7).
8743bond(d59,d59_19,d59_14,7).
8744bond(d59,d59_19,d59_20,7).
8745bond(d59,d59_20,d59_18,7).
8746bond(d59,d59_1,d59_21,1).
8747bond(d59,d59_4,d59_22,1).
8748bond(d59,d59_5,d59_23,1).
8749bond(d59,d59_6,d59_24,1).
8750bond(d59,d59_7,d59_25,1).
8751bond(d59,d59_8,d59_26,1).
8752bond(d59,d59_11,d59_27,1).
8753bond(d59,d59_15,d59_28,1).
8754bond(d59,d59_16,d59_29,1).
8755bond(d59,d59_17,d59_30,1).
8756bond(d59,d59_19,d59_31,1).
8757bond(d59,d59_32,d59_20,1).
8758bond(d59,d59_33,d59_32,2).
8759bond(d59,d59_32,d59_34,2).
8760atm(d6,d6_1,c,22,-0.109).
8761atm(d6,d6_2,c,22,-0.109).
8762atm(d6,d6_3,c,27,0.021).
8763atm(d6,d6_4,c,27,-0.079).
8764atm(d6,d6_5,c,27,0.021).
8765atm(d6,d6_6,c,22,-0.109).
8766atm(d6,d6_7,c,27,-0.079).
8767atm(d6,d6_8,c,27,0.021).
8768atm(d6,d6_9,c,22,-0.109).
8769atm(d6,d6_10,c,22,-0.109).
8770atm(d6,d6_11,c,22,-0.109).
8771atm(d6,d6_12,c,22,-0.109).
8772atm(d6,d6_13,c,27,0.021).
8773atm(d6,d6_14,c,22,-0.109).
8774atm(d6,d6_15,c,22,-0.109).
8775atm(d6,d6_16,c,22,-0.109).
8776atm(d6,d6_17,h,3,0.151).
8777atm(d6,d6_18,h,3,0.151).
8778atm(d6,d6_19,h,3,0.151).
8779atm(d6,d6_20,h,3,0.151).
8780atm(d6,d6_21,h,3,0.151).
8781atm(d6,d6_22,h,3,0.151).
8782atm(d6,d6_23,n,38,0.822).
8783atm(d6,d6_24,n,38,0.822).
8784atm(d6,d6_25,o,40,-0.379).
8785atm(d6,d6_26,o,40,-0.379).
8786atm(d6,d6_27,o,40,-0.379).
8787atm(d6,d6_28,o,40,-0.379).
8788atm(d6,d6_29,o,40,-0.378).
8789atm(d6,d6_30,o,40,-0.379).
8790atm(d6,d6_31,o,40,-0.379).
8791atm(d6,d6_32,o,40,-0.378).
8792atm(d6,d6_33,n,38,0.822).
8793atm(d6,d6_34,n,38,0.822).
8794
8795bond(d6,d6_1,d6_2,7).
8796bond(d6,d6_2,d6_3,7).
8797bond(d6,d6_3,d6_4,7).
8798bond(d6,d6_4,d6_5,7).
8799bond(d6,d6_5,d6_6,7).
8800bond(d6,d6_6,d6_1,7).
8801bond(d6,d6_4,d6_7,7).
8802bond(d6,d6_7,d6_8,7).
8803bond(d6,d6_8,d6_9,7).
8804bond(d6,d6_9,d6_10,7).
8805bond(d6,d6_10,d6_5,7).
8806bond(d6,d6_3,d6_11,7).
8807bond(d6,d6_11,d6_12,7).
8808bond(d6,d6_12,d6_13,7).
8809bond(d6,d6_13,d6_7,7).
8810bond(d6,d6_14,d6_15,7).
8811bond(d6,d6_15,d6_8,7).
8812bond(d6,d6_16,d6_13,7).
8813bond(d6,d6_14,d6_16,7).
8814bond(d6,d6_1,d6_17,1).
8815bond(d6,d6_9,d6_18,1).
8816bond(d6,d6_10,d6_19,1).
8817bond(d6,d6_11,d6_20,1).
8818bond(d6,d6_12,d6_21,1).
8819bond(d6,d6_14,d6_22,1).
8820bond(d6,d6_23,d6_16,1).
8821bond(d6,d6_24,d6_2,1).
8822bond(d6,d6_27,d6_23,2).
8823bond(d6,d6_23,d6_28,2).
8824bond(d6,d6_24,d6_29,2).
8825bond(d6,d6_24,d6_30,2).
8826bond(d6,d6_6,d6_33,1).
8827bond(d6,d6_32,d6_33,2).
8828bond(d6,d6_31,d6_33,2).
8829bond(d6,d6_15,d6_34,1).
8830bond(d6,d6_26,d6_34,2).
8831bond(d6,d6_25,d6_34,2).
8832atm(d60,d60_1,c,22,-0.114).
8833atm(d60,d60_2,c,22,-0.114).
8834atm(d60,d60_3,c,27,0.016).
8835atm(d60,d60_4,c,27,0.016).
8836atm(d60,d60_5,c,22,-0.114).
8837atm(d60,d60_6,c,22,-0.114).
8838atm(d60,d60_7,h,3,0.146).
8839atm(d60,d60_8,h,3,0.146).
8840atm(d60,d60_9,h,3,0.146).
8841atm(d60,d60_10,c,22,-0.114).
8842atm(d60,d60_11,c,22,-0.114).
8843atm(d60,d60_12,c,22,-0.114).
8844atm(d60,d60_13,c,22,-0.114).
8845atm(d60,d60_14,h,3,0.146).
8846atm(d60,d60_15,h,3,0.146).
8847atm(d60,d60_16,n,38,0.817).
8848atm(d60,d60_17,n,38,0.817).
8849atm(d60,d60_18,n,38,0.817).
8850atm(d60,d60_19,o,40,-0.384).
8851atm(d60,d60_20,o,40,-0.384).
8852atm(d60,d60_21,o,40,-0.383).
8853atm(d60,d60_22,o,40,-0.384).
8854atm(d60,d60_23,o,40,-0.383).
8855atm(d60,d60_24,o,40,-0.383).
8856
8857bond(d60,d60_1,d60_2,7).
8858bond(d60,d60_2,d60_3,7).
8859bond(d60,d60_3,d60_4,7).
8860bond(d60,d60_4,d60_5,7).
8861bond(d60,d60_5,d60_6,7).
8862bond(d60,d60_6,d60_1,7).
8863bond(d60,d60_1,d60_7,1).
8864bond(d60,d60_2,d60_8,1).
8865bond(d60,d60_6,d60_9,1).
8866bond(d60,d60_3,d60_10,7).
8867bond(d60,d60_10,d60_11,7).
8868bond(d60,d60_11,d60_12,7).
8869bond(d60,d60_12,d60_13,7).
8870bond(d60,d60_13,d60_4,7).
8871bond(d60,d60_10,d60_14,1).
8872bond(d60,d60_12,d60_15,1).
8873bond(d60,d60_16,d60_13,1).
8874bond(d60,d60_11,d60_17,1).
8875bond(d60,d60_18,d60_5,1).
8876bond(d60,d60_19,d60_18,2).
8877bond(d60,d60_18,d60_20,2).
8878bond(d60,d60_21,d60_16,2).
8879bond(d60,d60_16,d60_22,2).
8880bond(d60,d60_23,d60_17,2).
8881bond(d60,d60_17,d60_24,2).
8882atm(d61,d61_1,c,22,-0.105).
8883atm(d61,d61_2,c,22,-0.105).
8884atm(d61,d61_3,c,22,-0.105).
8885atm(d61,d61_4,c,29,0.025).
8886atm(d61,d61_5,c,22,-0.105).
8887atm(d61,d61_6,c,22,-0.105).
8888atm(d61,d61_7,h,3,0.155).
8889atm(d61,d61_8,h,3,0.154).
8890atm(d61,d61_9,h,3,0.155).
8891atm(d61,d61_10,c,22,-0.105).
8892atm(d61,d61_11,c,22,-0.105).
8893atm(d61,d61_12,c,22,-0.105).
8894atm(d61,d61_13,c,22,-0.105).
8895atm(d61,d61_14,c,22,-0.105).
8896atm(d61,d61_15,c,29,0.025).
8897atm(d61,d61_16,h,3,0.155).
8898atm(d61,d61_17,h,3,0.155).
8899atm(d61,d61_18,h,3,0.155).
8900atm(d61,d61_19,c,10,0.025).
8901atm(d61,d61_20,h,3,0.075).
8902atm(d61,d61_21,h,3,0.075).
8903atm(d61,d61_22,cl,93,-0.176).
8904atm(d61,d61_23,n,38,0.824).
8905atm(d61,d61_24,o,40,-0.376).
8906atm(d61,d61_25,o,40,-0.376).
8907
8908bond(d61,d61_1,d61_2,7).
8909bond(d61,d61_2,d61_3,7).
8910bond(d61,d61_3,d61_4,7).
8911bond(d61,d61_4,d61_5,7).
8912bond(d61,d61_5,d61_6,7).
8913bond(d61,d61_6,d61_1,7).
8914bond(d61,d61_2,d61_7,1).
8915bond(d61,d61_5,d61_8,1).
8916bond(d61,d61_6,d61_9,1).
8917bond(d61,d61_10,d61_11,7).
8918bond(d61,d61_11,d61_12,7).
8919bond(d61,d61_12,d61_13,7).
8920bond(d61,d61_13,d61_14,7).
8921bond(d61,d61_14,d61_15,7).
8922bond(d61,d61_15,d61_10,7).
8923bond(d61,d61_11,d61_16,1).
8924bond(d61,d61_13,d61_17,1).
8925bond(d61,d61_14,d61_18,1).
8926bond(d61,d61_4,d61_15,1).
8927bond(d61,d61_3,d61_19,1).
8928bond(d61,d61_19,d61_10,1).
8929bond(d61,d61_19,d61_20,1).
8930bond(d61,d61_19,d61_21,1).
8931bond(d61,d61_12,d61_22,1).
8932bond(d61,d61_1,d61_23,1).
8933bond(d61,d61_24,d61_23,2).
8934bond(d61,d61_23,d61_25,2).
8935atm(d62,d62_1,c,22,-0.127).
8936atm(d62,d62_2,c,22,-0.127).
8937atm(d62,d62_3,c,22,-0.127).
8938atm(d62,d62_4,c,22,0.203).
8939atm(d62,d62_5,c,22,0.253).
8940atm(d62,d62_6,c,22,-0.127).
8941atm(d62,d62_7,h,3,0.133).
8942atm(d62,d62_8,h,3,0.133).
8943atm(d62,d62_9,h,3,0.133).
8944atm(d62,d62_10,o,45,-0.647).
8945atm(d62,d62_11,h,8,0.403).
8946atm(d62,d62_12,n,32,-0.777).
8947atm(d62,d62_13,n,38,0.802).
8948atm(d62,d62_14,o,40,-0.397).
8949atm(d62,d62_15,o,40,-0.397).
8950atm(d62,d62_16,h,1,0.333).
8951atm(d62,d62_17,h,1,0.333).
8952
8953bond(d62,d62_1,d62_2,7).
8954bond(d62,d62_2,d62_3,7).
8955bond(d62,d62_3,d62_4,7).
8956bond(d62,d62_4,d62_5,7).
8957bond(d62,d62_5,d62_6,7).
8958bond(d62,d62_6,d62_1,7).
8959bond(d62,d62_2,d62_7,1).
8960bond(d62,d62_3,d62_8,1).
8961bond(d62,d62_6,d62_9,1).
8962bond(d62,d62_10,d62_5,1).
8963bond(d62,d62_10,d62_11,1).
8964bond(d62,d62_4,d62_12,1).
8965bond(d62,d62_1,d62_13,1).
8966bond(d62,d62_14,d62_13,2).
8967bond(d62,d62_13,d62_15,2).
8968bond(d62,d62_12,d62_16,1).
8969bond(d62,d62_12,d62_17,1).
8970atm(d63,d63_1,c,21,-0.004).
8971atm(d63,d63_2,c,21,-0.134).
8972atm(d63,d63_3,c,21,-0.134).
8973atm(d63,d63_4,c,21,0.096).
8974atm(d63,d63_5,o,52,-0.034).
8975atm(d63,d63_6,n,38,0.797).
8976atm(d63,d63_7,o,40,-0.403).
8977atm(d63,d63_8,o,40,-0.403).
8978atm(d63,d63_9,c,14,0.597).
8979atm(d63,d63_10,n,32,-0.404).
8980atm(d63,d63_11,n,32,-0.404).
8981atm(d63,d63_12,c,14,0.597).
8982atm(d63,d63_13,c,16,-0.204).
8983atm(d63,d63_14,o,40,-0.553).
8984atm(d63,d63_15,c,16,-0.204).
8985atm(d63,d63_16,c,21,0.096).
8986atm(d63,d63_17,c,21,-0.134).
8987atm(d63,d63_18,c,21,-0.134).
8988atm(d63,d63_19,c,21,-0.004).
8989atm(d63,d63_20,c,21,-0.134).
8990atm(d63,d63_21,n,38,0.797).
8991atm(d63,d63_22,o,40,-0.404).
8992atm(d63,d63_23,o,40,-0.403).
8993atm(d63,d63_24,h,3,0.126).
8994atm(d63,d63_25,h,3,0.126).
8995atm(d63,d63_26,h,3,0.046).
8996atm(d63,d63_27,h,1,0.246).
8997atm(d63,d63_28,h,3,0.096).
8998atm(d63,d63_29,h,3,0.126).
8999atm(d63,d63_30,h,3,0.126).
9000atm(d63,d63_31,h,3,0.126).
9001atm(d63,d63_32,h,3,0.096).
9002
9003bond(d63,d63_1,d63_2,7).
9004bond(d63,d63_2,d63_3,7).
9005bond(d63,d63_3,d63_4,7).
9006bond(d63,d63_4,d63_5,7).
9007bond(d63,d63_5,d63_1,7).
9008bond(d63,d63_1,d63_6,1).
9009bond(d63,d63_6,d63_7,2).
9010bond(d63,d63_6,d63_8,2).
9011bond(d63,d63_4,d63_9,1).
9012bond(d63,d63_9,d63_10,2).
9013bond(d63,d63_10,d63_11,1).
9014bond(d63,d63_11,d63_12,1).
9015bond(d63,d63_12,d63_13,1).
9016bond(d63,d63_12,d63_14,2).
9017bond(d63,d63_13,d63_15,2).
9018bond(d63,d63_16,d63_17,7).
9019bond(d63,d63_17,d63_18,7).
9020bond(d63,d63_18,d63_19,7).
9021bond(d63,d63_19,d63_20,7).
9022bond(d63,d63_20,d63_16,7).
9023bond(d63,d63_19,d63_21,1).
9024bond(d63,d63_21,d63_22,2).
9025bond(d63,d63_21,d63_23,2).
9026bond(d63,d63_2,d63_24,1).
9027bond(d63,d63_3,d63_25,1).
9028bond(d63,d63_9,d63_26,1).
9029bond(d63,d63_11,d63_27,1).
9030bond(d63,d63_13,d63_28,1).
9031bond(d63,d63_17,d63_29,1).
9032bond(d63,d63_18,d63_30,1).
9033bond(d63,d63_20,d63_31,1).
9034bond(d63,d63_15,d63_16,1).
9035bond(d63,d63_15,d63_32,1).
9036atm(d64,d64_1,c,22,-0.128).
9037atm(d64,d64_2,c,22,-0.128).
9038atm(d64,d64_3,c,22,0.102).
9039atm(d64,d64_4,c,29,0.002).
9040atm(d64,d64_5,c,22,-0.128).
9041atm(d64,d64_6,c,22,-0.128).
9042atm(d64,d64_7,h,3,0.132).
9043atm(d64,d64_8,h,3,0.132).
9044atm(d64,d64_9,h,3,0.132).
9045atm(d64,d64_10,c,22,0.102).
9046atm(d64,d64_11,c,22,-0.128).
9047atm(d64,d64_12,c,22,-0.128).
9048atm(d64,d64_13,c,22,-0.128).
9049atm(d64,d64_14,c,22,-0.128).
9050atm(d64,d64_15,c,29,0.002).
9051atm(d64,d64_16,h,3,0.132).
9052atm(d64,d64_17,h,3,0.132).
9053atm(d64,d64_18,h,3,0.132).
9054atm(d64,d64_19,c,14,0.553).
9055atm(d64,d64_20,n,38,0.803).
9056atm(d64,d64_21,n,38,0.803).
9057atm(d64,d64_22,o,40,-0.397).
9058atm(d64,d64_23,o,40,-0.397).
9059atm(d64,d64_24,o,40,-0.397).
9060atm(d64,d64_25,o,40,-0.397).
9061atm(d64,d64_26,o,40,-0.547).
9062
9063bond(d64,d64_1,d64_2,7).
9064bond(d64,d64_2,d64_3,7).
9065bond(d64,d64_3,d64_4,7).
9066bond(d64,d64_4,d64_5,7).
9067bond(d64,d64_5,d64_6,7).
9068bond(d64,d64_6,d64_1,7).
9069bond(d64,d64_2,d64_7,1).
9070bond(d64,d64_5,d64_8,1).
9071bond(d64,d64_6,d64_9,1).
9072bond(d64,d64_10,d64_11,7).
9073bond(d64,d64_11,d64_12,7).
9074bond(d64,d64_12,d64_13,7).
9075bond(d64,d64_13,d64_14,7).
9076bond(d64,d64_14,d64_15,7).
9077bond(d64,d64_15,d64_10,7).
9078bond(d64,d64_11,d64_16,1).
9079bond(d64,d64_13,d64_17,1).
9080bond(d64,d64_14,d64_18,1).
9081bond(d64,d64_4,d64_15,1).
9082bond(d64,d64_3,d64_19,1).
9083bond(d64,d64_19,d64_10,1).
9084bond(d64,d64_12,d64_20,1).
9085bond(d64,d64_1,d64_21,1).
9086bond(d64,d64_22,d64_21,2).
9087bond(d64,d64_21,d64_23,2).
9088bond(d64,d64_20,d64_24,2).
9089bond(d64,d64_20,d64_25,2).
9090bond(d64,d64_19,d64_26,2).
9091atm(d65,d65_1,c,22,-0.118).
9092atm(d65,d65_2,c,22,-0.118).
9093atm(d65,d65_3,c,27,0.012).
9094atm(d65,d65_4,c,27,0.012).
9095atm(d65,d65_5,c,22,-0.118).
9096atm(d65,d65_6,c,22,-0.118).
9097atm(d65,d65_7,h,3,0.142).
9098atm(d65,d65_8,h,3,0.142).
9099atm(d65,d65_9,h,3,0.142).
9100atm(d65,d65_10,h,3,0.142).
9101atm(d65,d65_11,c,22,-0.118).
9102atm(d65,d65_12,c,22,-0.118).
9103atm(d65,d65_13,c,22,-0.118).
9104atm(d65,d65_14,c,22,-0.118).
9105atm(d65,d65_15,h,3,0.142).
9106atm(d65,d65_16,h,3,0.142).
9107atm(d65,d65_17,n,38,0.811).
9108atm(d65,d65_18,n,38,0.811).
9109atm(d65,d65_19,o,40,-0.388).
9110atm(d65,d65_20,o,40,-0.389).
9111atm(d65,d65_21,o,40,-0.389).
9112atm(d65,d65_22,o,40,-0.388).
9113
9114bond(d65,d65_1,d65_2,7).
9115bond(d65,d65_2,d65_3,7).
9116bond(d65,d65_3,d65_4,7).
9117bond(d65,d65_4,d65_5,7).
9118bond(d65,d65_5,d65_6,7).
9119bond(d65,d65_6,d65_1,7).
9120bond(d65,d65_1,d65_7,1).
9121bond(d65,d65_2,d65_8,1).
9122bond(d65,d65_5,d65_9,1).
9123bond(d65,d65_6,d65_10,1).
9124bond(d65,d65_3,d65_11,7).
9125bond(d65,d65_11,d65_12,7).
9126bond(d65,d65_12,d65_13,7).
9127bond(d65,d65_13,d65_14,7).
9128bond(d65,d65_14,d65_4,7).
9129bond(d65,d65_11,d65_15,1).
9130bond(d65,d65_13,d65_16,1).
9131bond(d65,d65_17,d65_14,1).
9132bond(d65,d65_12,d65_18,1).
9133bond(d65,d65_19,d65_17,2).
9134bond(d65,d65_17,d65_20,2).
9135bond(d65,d65_21,d65_18,2).
9136bond(d65,d65_18,d65_22,2).
9137atm(d66,d66_1,c,22,-0.128).
9138atm(d66,d66_2,c,22,-0.128).
9139atm(d66,d66_3,c,22,-0.128).
9140atm(d66,d66_4,c,29,0.002).
9141atm(d66,d66_5,c,22,-0.128).
9142atm(d66,d66_6,c,22,-0.128).
9143atm(d66,d66_7,h,3,0.132).
9144atm(d66,d66_8,h,3,0.132).
9145atm(d66,d66_9,h,3,0.132).
9146atm(d66,d66_10,h,3,0.132).
9147atm(d66,d66_11,c,29,0.002).
9148atm(d66,d66_12,c,22,-0.128).
9149atm(d66,d66_13,c,22,-0.128).
9150atm(d66,d66_14,c,22,0.202).
9151atm(d66,d66_15,c,22,-0.128).
9152atm(d66,d66_16,c,22,-0.128).
9153atm(d66,d66_17,h,3,0.132).
9154atm(d66,d66_18,h,3,0.132).
9155atm(d66,d66_19,h,3,0.132).
9156atm(d66,d66_20,h,3,0.132).
9157atm(d66,d66_21,n,32,-0.779).
9158atm(d66,d66_22,n,38,0.801).
9159atm(d66,d66_23,o,40,-0.398).
9160atm(d66,d66_24,o,40,-0.398).
9161atm(d66,d66_25,h,1,0.332).
9162atm(d66,d66_26,h,1,0.332).
9163
9164bond(d66,d66_1,d66_2,7).
9165bond(d66,d66_2,d66_3,7).
9166bond(d66,d66_3,d66_4,7).
9167bond(d66,d66_4,d66_5,7).
9168bond(d66,d66_5,d66_6,7).
9169bond(d66,d66_6,d66_1,7).
9170bond(d66,d66_1,d66_7,1).
9171bond(d66,d66_2,d66_8,1).
9172bond(d66,d66_3,d66_9,1).
9173bond(d66,d66_5,d66_10,1).
9174bond(d66,d66_11,d66_12,7).
9175bond(d66,d66_12,d66_13,7).
9176bond(d66,d66_13,d66_14,7).
9177bond(d66,d66_14,d66_15,7).
9178bond(d66,d66_15,d66_16,7).
9179bond(d66,d66_16,d66_11,7).
9180bond(d66,d66_12,d66_17,1).
9181bond(d66,d66_13,d66_18,1).
9182bond(d66,d66_15,d66_19,1).
9183bond(d66,d66_16,d66_20,1).
9184bond(d66,d66_4,d66_11,1).
9185bond(d66,d66_14,d66_21,1).
9186bond(d66,d66_6,d66_22,1).
9187bond(d66,d66_23,d66_22,2).
9188bond(d66,d66_22,d66_24,2).
9189bond(d66,d66_21,d66_25,1).
9190bond(d66,d66_21,d66_26,1).
9191atm(d67,d67_1,c,22,-0.122).
9192atm(d67,d67_2,c,22,-0.122).
9193atm(d67,d67_3,c,27,0.008).
9194atm(d67,d67_4,c,27,-0.092).
9195atm(d67,d67_5,c,28,0.008).
9196atm(d67,d67_6,c,22,-0.122).
9197atm(d67,d67_7,h,3,0.138).
9198atm(d67,d67_8,h,3,0.138).
9199atm(d67,d67_9,h,3,0.138).
9200atm(d67,d67_10,c,22,-0.122).
9201atm(d67,d67_11,c,22,0.258).
9202atm(d67,d67_12,c,22,-0.122).
9203atm(d67,d67_13,c,29,0.008).
9204atm(d67,d67_14,h,3,0.138).
9205atm(d67,d67_15,c,28,0.008).
9206atm(d67,d67_16,c,28,0.008).
9207atm(d67,d67_17,c,22,-0.122).
9208atm(d67,d67_18,c,22,-0.122).
9209atm(d67,d67_19,c,22,-0.122).
9210atm(d67,d67_20,c,22,-0.122).
9211atm(d67,d67_21,h,3,0.138).
9212atm(d67,d67_22,h,3,0.138).
9213atm(d67,d67_23,h,3,0.138).
9214atm(d67,d67_24,n,38,0.807).
9215atm(d67,d67_25,o,45,-0.643).
9216atm(d67,d67_26,o,40,-0.392).
9217atm(d67,d67_27,o,40,-0.392).
9218atm(d67,d67_28,h,8,0.408).
9219atm(d67,d67_29,h,3,0.138).
9220
9221bond(d67,d67_1,d67_2,7).
9222bond(d67,d67_2,d67_3,7).
9223bond(d67,d67_3,d67_4,7).
9224bond(d67,d67_4,d67_5,7).
9225bond(d67,d67_5,d67_6,7).
9226bond(d67,d67_6,d67_1,7).
9227bond(d67,d67_1,d67_7,1).
9228bond(d67,d67_2,d67_8,1).
9229bond(d67,d67_6,d67_9,1).
9230bond(d67,d67_3,d67_10,7).
9231bond(d67,d67_10,d67_11,7).
9232bond(d67,d67_11,d67_12,7).
9233bond(d67,d67_12,d67_13,7).
9234bond(d67,d67_13,d67_4,7).
9235bond(d67,d67_10,d67_14,1).
9236bond(d67,d67_15,d67_16,7).
9237bond(d67,d67_16,d67_17,7).
9238bond(d67,d67_17,d67_18,7).
9239bond(d67,d67_18,d67_19,7).
9240bond(d67,d67_19,d67_20,7).
9241bond(d67,d67_20,d67_15,7).
9242bond(d67,d67_18,d67_21,1).
9243bond(d67,d67_19,d67_22,1).
9244bond(d67,d67_20,d67_23,1).
9245bond(d67,d67_15,d67_5,1).
9246bond(d67,d67_12,d67_24,1).
9247bond(d67,d67_11,d67_25,1).
9248bond(d67,d67_26,d67_24,2).
9249bond(d67,d67_24,d67_27,2).
9250bond(d67,d67_25,d67_28,1).
9251bond(d67,d67_17,d67_29,1).
9252bond(d67,d67_13,d67_16,1).
9253atm(d68,d68_1,c,22,-0.114).
9254atm(d68,d68_2,c,22,-0.114).
9255atm(d68,d68_3,c,27,0.016).
9256atm(d68,d68_4,c,27,-0.084).
9257atm(d68,d68_5,c,22,-0.114).
9258atm(d68,d68_6,c,22,-0.114).
9259atm(d68,d68_7,h,3,0.145).
9260atm(d68,d68_8,h,3,0.145).
9261atm(d68,d68_9,h,3,0.145).
9262atm(d68,d68_10,h,3,0.145).
9263atm(d68,d68_11,c,22,-0.114).
9264atm(d68,d68_12,c,27,0.016).
9265atm(d68,d68_13,c,195,-0.084).
9266atm(d68,d68_14,c,195,-0.084).
9267atm(d68,d68_15,h,3,0.145).
9268atm(d68,d68_16,c,22,-0.114).
9269atm(d68,d68_17,c,22,-0.114).
9270atm(d68,d68_18,c,27,0.016).
9271atm(d68,d68_19,c,27,-0.084).
9272atm(d68,d68_20,h,3,0.145).
9273atm(d68,d68_21,h,3,0.145).
9274atm(d68,d68_22,c,27,0.016).
9275atm(d68,d68_23,c,22,-0.114).
9276atm(d68,d68_24,c,22,-0.114).
9277atm(d68,d68_25,h,3,0.145).
9278atm(d68,d68_26,h,3,0.145).
9279atm(d68,d68_27,c,22,-0.114).
9280atm(d68,d68_28,c,22,-0.114).
9281atm(d68,d68_29,c,22,-0.114).
9282atm(d68,d68_30,h,3,0.145).
9283atm(d68,d68_31,h,3,0.145).
9284atm(d68,d68_32,n,38,0.815).
9285atm(d68,d68_33,o,40,-0.385).
9286atm(d68,d68_34,o,40,-0.385).
9287
9288bond(d68,d68_1,d68_2,7).
9289bond(d68,d68_2,d68_3,7).
9290bond(d68,d68_3,d68_4,7).
9291bond(d68,d68_4,d68_5,7).
9292bond(d68,d68_5,d68_6,7).
9293bond(d68,d68_6,d68_1,7).
9294bond(d68,d68_1,d68_7,1).
9295bond(d68,d68_2,d68_8,1).
9296bond(d68,d68_5,d68_9,1).
9297bond(d68,d68_6,d68_10,1).
9298bond(d68,d68_3,d68_11,7).
9299bond(d68,d68_11,d68_12,7).
9300bond(d68,d68_12,d68_13,7).
9301bond(d68,d68_13,d68_14,7).
9302bond(d68,d68_14,d68_4,7).
9303bond(d68,d68_11,d68_15,1).
9304bond(d68,d68_12,d68_16,7).
9305bond(d68,d68_16,d68_17,7).
9306bond(d68,d68_17,d68_18,7).
9307bond(d68,d68_18,d68_19,7).
9308bond(d68,d68_19,d68_13,7).
9309bond(d68,d68_16,d68_20,1).
9310bond(d68,d68_17,d68_21,1).
9311bond(d68,d68_19,d68_22,7).
9312bond(d68,d68_22,d68_23,7).
9313bond(d68,d68_23,d68_24,7).
9314bond(d68,d68_24,d68_14,7).
9315bond(d68,d68_23,d68_25,1).
9316bond(d68,d68_24,d68_26,1).
9317bond(d68,d68_18,d68_27,7).
9318bond(d68,d68_27,d68_28,7).
9319bond(d68,d68_28,d68_29,7).
9320bond(d68,d68_29,d68_22,7).
9321bond(d68,d68_28,d68_30,1).
9322bond(d68,d68_29,d68_31,1).
9323bond(d68,d68_27,d68_32,1).
9324bond(d68,d68_32,d68_33,2).
9325bond(d68,d68_32,d68_34,2).
9326atm(d69,d69_1,c,22,-0.114).
9327atm(d69,d69_2,c,22,-0.114).
9328atm(d69,d69_3,c,22,-0.114).
9329atm(d69,d69_4,c,29,0.016).
9330atm(d69,d69_5,c,22,-0.114).
9331atm(d69,d69_6,c,22,-0.114).
9332atm(d69,d69_7,h,3,0.145).
9333atm(d69,d69_8,h,3,0.145).
9334atm(d69,d69_9,h,3,0.145).
9335atm(d69,d69_10,c,22,-0.114).
9336atm(d69,d69_11,c,22,-0.114).
9337atm(d69,d69_12,c,22,-0.114).
9338atm(d69,d69_13,c,22,-0.114).
9339atm(d69,d69_14,c,22,-0.114).
9340atm(d69,d69_15,c,29,0.016).
9341atm(d69,d69_16,h,3,0.145).
9342atm(d69,d69_17,h,3,0.145).
9343atm(d69,d69_18,h,3,0.145).
9344atm(d69,d69_19,c,10,0.016).
9345atm(d69,d69_20,h,3,0.066).
9346atm(d69,d69_21,h,3,0.066).
9347atm(d69,d69_22,n,38,0.815).
9348atm(d69,d69_23,n,38,0.815).
9349atm(d69,d69_24,o,40,-0.385).
9350atm(d69,d69_25,o,40,-0.385).
9351atm(d69,d69_26,o,40,-0.385).
9352atm(d69,d69_27,o,40,-0.385).
9353
9354bond(d69,d69_1,d69_2,7).
9355bond(d69,d69_2,d69_3,7).
9356bond(d69,d69_3,d69_4,7).
9357bond(d69,d69_4,d69_5,7).
9358bond(d69,d69_5,d69_6,7).
9359bond(d69,d69_6,d69_1,7).
9360bond(d69,d69_1,d69_7,1).
9361bond(d69,d69_2,d69_8,1).
9362bond(d69,d69_6,d69_9,1).
9363bond(d69,d69_10,d69_11,7).
9364bond(d69,d69_11,d69_12,7).
9365bond(d69,d69_12,d69_13,7).
9366bond(d69,d69_13,d69_14,7).
9367bond(d69,d69_14,d69_15,7).
9368bond(d69,d69_15,d69_10,7).
9369bond(d69,d69_11,d69_16,1).
9370bond(d69,d69_13,d69_17,1).
9371bond(d69,d69_14,d69_18,1).
9372bond(d69,d69_4,d69_15,1).
9373bond(d69,d69_3,d69_19,1).
9374bond(d69,d69_19,d69_10,1).
9375bond(d69,d69_19,d69_20,1).
9376bond(d69,d69_19,d69_21,1).
9377bond(d69,d69_12,d69_22,1).
9378bond(d69,d69_5,d69_23,1).
9379bond(d69,d69_24,d69_23,2).
9380bond(d69,d69_23,d69_25,2).
9381bond(d69,d69_26,d69_22,2).
9382bond(d69,d69_22,d69_27,2).
9383atm(d7,d7_1,c,22,-0.124).
9384atm(d7,d7_2,c,22,-0.124).
9385atm(d7,d7_3,c,22,-0.124).
9386atm(d7,d7_4,c,29,0.006).
9387atm(d7,d7_5,c,22,-0.124).
9388atm(d7,d7_6,c,22,-0.124).
9389atm(d7,d7_7,h,3,0.136).
9390atm(d7,d7_8,h,3,0.136).
9391atm(d7,d7_9,h,3,0.136).
9392atm(d7,d7_10,h,3,0.136).
9393atm(d7,d7_11,h,3,0.136).
9394atm(d7,d7_12,c,29,0.006).
9395atm(d7,d7_13,c,22,-0.124).
9396atm(d7,d7_14,c,22,-0.124).
9397atm(d7,d7_15,c,22,-0.124).
9398atm(d7,d7_16,c,22,-0.174).
9399atm(d7,d7_17,c,22,-0.124).
9400atm(d7,d7_18,h,3,0.136).
9401atm(d7,d7_19,h,3,0.136).
9402atm(d7,d7_20,h,3,0.136).
9403atm(d7,d7_21,c,10,0.006).
9404atm(d7,d7_22,h,3,0.056).
9405atm(d7,d7_23,h,3,0.056).
9406atm(d7,d7_24,h,3,0.056).
9407atm(d7,d7_25,n,38,0.805).
9408atm(d7,d7_26,o,40,-0.395).
9409atm(d7,d7_27,o,40,-0.394).
9410
9411bond(d7,d7_1,d7_2,7).
9412bond(d7,d7_2,d7_3,7).
9413bond(d7,d7_3,d7_4,7).
9414bond(d7,d7_4,d7_5,7).
9415bond(d7,d7_5,d7_6,7).
9416bond(d7,d7_6,d7_1,7).
9417bond(d7,d7_1,d7_7,1).
9418bond(d7,d7_2,d7_8,1).
9419bond(d7,d7_3,d7_9,1).
9420bond(d7,d7_5,d7_10,1).
9421bond(d7,d7_6,d7_11,1).
9422bond(d7,d7_12,d7_13,7).
9423bond(d7,d7_13,d7_14,7).
9424bond(d7,d7_14,d7_15,7).
9425bond(d7,d7_15,d7_16,7).
9426bond(d7,d7_16,d7_17,7).
9427bond(d7,d7_17,d7_12,7).
9428bond(d7,d7_13,d7_18,1).
9429bond(d7,d7_14,d7_19,1).
9430bond(d7,d7_17,d7_20,1).
9431bond(d7,d7_4,d7_12,1).
9432bond(d7,d7_21,d7_16,1).
9433bond(d7,d7_21,d7_22,1).
9434bond(d7,d7_21,d7_23,1).
9435bond(d7,d7_21,d7_24,1).
9436bond(d7,d7_25,d7_15,1).
9437bond(d7,d7_25,d7_26,2).
9438bond(d7,d7_25,d7_27,2).
9439atm(d70,d70_1,c,22,-0.128).
9440atm(d70,d70_2,c,22,-0.128).
9441atm(d70,d70_3,c,22,0.202).
9442atm(d70,d70_4,c,22,0.002).
9443atm(d70,d70_5,c,22,-0.128).
9444atm(d70,d70_6,c,22,-0.128).
9445atm(d70,d70_7,h,3,0.132).
9446atm(d70,d70_8,h,3,0.132).
9447atm(d70,d70_9,h,3,0.132).
9448atm(d70,d70_10,n,32,-0.398).
9449atm(d70,d70_11,c,14,0.601).
9450atm(d70,d70_12,c,14,0.551).
9451atm(d70,d70_13,o,40,-0.549).
9452atm(d70,d70_14,o,40,-0.549).
9453atm(d70,d70_15,h,1,0.252).
9454atm(d70,d70_16,n,38,0.801).
9455atm(d70,d70_17,o,40,-0.399).
9456atm(d70,d70_18,o,40,-0.398).
9457
9458bond(d70,d70_1,d70_2,7).
9459bond(d70,d70_2,d70_3,7).
9460bond(d70,d70_3,d70_4,7).
9461bond(d70,d70_4,d70_5,7).
9462bond(d70,d70_5,d70_6,7).
9463bond(d70,d70_6,d70_1,7).
9464bond(d70,d70_1,d70_7,1).
9465bond(d70,d70_2,d70_8,1).
9466bond(d70,d70_5,d70_9,1).
9467bond(d70,d70_3,d70_10,1).
9468bond(d70,d70_10,d70_11,1).
9469bond(d70,d70_11,d70_12,1).
9470bond(d70,d70_12,d70_4,1).
9471bond(d70,d70_11,d70_13,2).
9472bond(d70,d70_12,d70_14,2).
9473bond(d70,d70_10,d70_15,1).
9474bond(d70,d70_6,d70_16,1).
9475bond(d70,d70_17,d70_16,2).
9476bond(d70,d70_16,d70_18,2).
9477atm(d71,d71_1,c,22,-0.118).
9478atm(d71,d71_2,c,22,-0.118).
9479atm(d71,d71_3,c,27,0.012).
9480atm(d71,d71_4,c,27,-0.089).
9481atm(d71,d71_5,c,27,0.012).
9482atm(d71,d71_6,c,22,-0.118).
9483atm(d71,d71_7,c,22,-0.118).
9484atm(d71,d71_8,c,22,-0.118).
9485atm(d71,d71_9,c,27,0.012).
9486atm(d71,d71_10,c,27,-0.089).
9487atm(d71,d71_11,c,27,0.012).
9488atm(d71,d71_12,c,22,0.012).
9489atm(d71,d71_13,c,22,0.012).
9490atm(d71,d71_14,c,22,-0.118).
9491atm(d71,d71_15,c,22,-0.118).
9492atm(d71,d71_16,c,22,-0.118).
9493atm(d71,d71_17,c,10,-0.089).
9494atm(d71,d71_18,c,10,-0.089).
9495atm(d71,d71_19,c,10,-0.089).
9496atm(d71,d71_20,c,10,-0.089).
9497atm(d71,d71_21,n,38,0.811).
9498atm(d71,d71_22,n,38,0.811).
9499atm(d71,d71_23,o,40,-0.39).
9500atm(d71,d71_24,o,40,-0.389).
9501atm(d71,d71_25,o,40,-0.389).
9502atm(d71,d71_26,o,40,-0.39).
9503atm(d71,d71_27,h,3,0.141).
9504atm(d71,d71_28,h,3,0.141).
9505atm(d71,d71_29,h,3,0.141).
9506atm(d71,d71_30,h,3,0.141).
9507atm(d71,d71_31,h,3,0.141).
9508atm(d71,d71_32,h,3,0.141).
9509atm(d71,d71_33,h,3,0.062).
9510atm(d71,d71_34,h,3,0.062).
9511atm(d71,d71_35,h,3,0.062).
9512atm(d71,d71_36,h,3,0.062).
9513atm(d71,d71_37,h,3,0.062).
9514atm(d71,d71_38,h,3,0.062).
9515atm(d71,d71_39,h,3,0.062).
9516atm(d71,d71_40,h,3,0.062).
9517
9518bond(d71,d71_1,d71_2,7).
9519bond(d71,d71_2,d71_3,7).
9520bond(d71,d71_3,d71_4,7).
9521bond(d71,d71_4,d71_5,7).
9522bond(d71,d71_5,d71_6,7).
9523bond(d71,d71_6,d71_1,7).
9524bond(d71,d71_3,d71_7,7).
9525bond(d71,d71_7,d71_8,7).
9526bond(d71,d71_8,d71_9,7).
9527bond(d71,d71_9,d71_10,7).
9528bond(d71,d71_10,d71_4,7).
9529bond(d71,d71_10,d71_11,7).
9530bond(d71,d71_11,d71_12,7).
9531bond(d71,d71_12,d71_13,7).
9532bond(d71,d71_13,d71_5,7).
9533bond(d71,d71_9,d71_14,7).
9534bond(d71,d71_14,d71_15,7).
9535bond(d71,d71_15,d71_16,7).
9536bond(d71,d71_16,d71_11,7).
9537bond(d71,d71_12,d71_17,1).
9538bond(d71,d71_17,d71_18,1).
9539bond(d71,d71_18,d71_19,1).
9540bond(d71,d71_19,d71_20,1).
9541bond(d71,d71_20,d71_13,1).
9542bond(d71,d71_21,d71_16,1).
9543bond(d71,d71_6,d71_22,1).
9544bond(d71,d71_23,d71_21,2).
9545bond(d71,d71_21,d71_24,2).
9546bond(d71,d71_22,d71_25,2).
9547bond(d71,d71_26,d71_22,2).
9548bond(d71,d71_1,d71_27,1).
9549bond(d71,d71_2,d71_28,1).
9550bond(d71,d71_7,d71_29,1).
9551bond(d71,d71_8,d71_30,1).
9552bond(d71,d71_14,d71_31,1).
9553bond(d71,d71_15,d71_32,1).
9554bond(d71,d71_18,d71_33,1).
9555bond(d71,d71_18,d71_34,1).
9556bond(d71,d71_17,d71_35,1).
9557bond(d71,d71_17,d71_36,1).
9558bond(d71,d71_20,d71_37,1).
9559bond(d71,d71_20,d71_38,1).
9560bond(d71,d71_19,d71_39,1).
9561bond(d71,d71_19,d71_40,1).
9562atm(d72,d72_1,c,22,-0.118).
9563atm(d72,d72_2,c,22,-0.118).
9564atm(d72,d72_3,c,22,-0.118).
9565atm(d72,d72_4,c,29,0.012).
9566atm(d72,d72_5,c,22,-0.118).
9567atm(d72,d72_6,c,22,-0.118).
9568atm(d72,d72_7,h,3,0.141).
9569atm(d72,d72_8,h,3,0.141).
9570atm(d72,d72_9,h,3,0.141).
9571atm(d72,d72_10,h,3,0.141).
9572atm(d72,d72_11,c,22,-0.118).
9573atm(d72,d72_12,c,22,-0.118).
9574atm(d72,d72_13,c,22,-0.118).
9575atm(d72,d72_14,c,22,-0.118).
9576atm(d72,d72_15,c,22,-0.118).
9577atm(d72,d72_16,c,29,0.012).
9578atm(d72,d72_17,h,3,0.141).
9579atm(d72,d72_18,h,3,0.141).
9580atm(d72,d72_19,h,3,0.141).
9581atm(d72,d72_20,c,10,0.012).
9582atm(d72,d72_21,h,3,0.062).
9583atm(d72,d72_22,h,3,0.062).
9584atm(d72,d72_23,n,38,0.811).
9585atm(d72,d72_24,o,40,-0.389).
9586atm(d72,d72_25,o,40,-0.389).
9587
9588bond(d72,d72_1,d72_2,7).
9589bond(d72,d72_2,d72_3,7).
9590bond(d72,d72_3,d72_4,7).
9591bond(d72,d72_4,d72_5,7).
9592bond(d72,d72_5,d72_6,7).
9593bond(d72,d72_6,d72_1,7).
9594bond(d72,d72_1,d72_7,1).
9595bond(d72,d72_2,d72_8,1).
9596bond(d72,d72_5,d72_9,1).
9597bond(d72,d72_6,d72_10,1).
9598bond(d72,d72_11,d72_12,7).
9599bond(d72,d72_12,d72_13,7).
9600bond(d72,d72_13,d72_14,7).
9601bond(d72,d72_14,d72_15,7).
9602bond(d72,d72_15,d72_16,7).
9603bond(d72,d72_16,d72_11,7).
9604bond(d72,d72_12,d72_17,1).
9605bond(d72,d72_14,d72_18,1).
9606bond(d72,d72_15,d72_19,1).
9607bond(d72,d72_4,d72_16,1).
9608bond(d72,d72_3,d72_20,1).
9609bond(d72,d72_20,d72_11,1).
9610bond(d72,d72_20,d72_21,1).
9611bond(d72,d72_20,d72_22,1).
9612bond(d72,d72_13,d72_23,1).
9613bond(d72,d72_24,d72_23,2).
9614bond(d72,d72_23,d72_25,2).
9615atm(d73,d73_1,c,22,-0.128).
9616atm(d73,d73_2,c,22,-0.128).
9617atm(d73,d73_3,c,22,-0.128).
9618atm(d73,d73_4,c,29,0.002).
9619atm(d73,d73_5,c,22,-0.128).
9620atm(d73,d73_6,c,22,-0.128).
9621atm(d73,d73_7,h,3,0.132).
9622atm(d73,d73_8,h,3,0.132).
9623atm(d73,d73_9,h,3,0.132).
9624atm(d73,d73_10,h,3,0.132).
9625atm(d73,d73_11,c,29,0.002).
9626atm(d73,d73_12,c,22,-0.128).
9627atm(d73,d73_13,c,22,-0.128).
9628atm(d73,d73_14,c,22,-0.128).
9629atm(d73,d73_15,c,22,0.202).
9630atm(d73,d73_16,c,22,-0.128).
9631atm(d73,d73_17,h,3,0.132).
9632atm(d73,d73_18,h,3,0.132).
9633atm(d73,d73_19,h,3,0.132).
9634atm(d73,d73_20,h,3,0.132).
9635atm(d73,d73_21,n,32,-0.779).
9636atm(d73,d73_22,n,38,0.801).
9637atm(d73,d73_23,o,40,-0.398).
9638atm(d73,d73_24,o,40,-0.398).
9639atm(d73,d73_25,h,1,0.332).
9640atm(d73,d73_26,h,1,0.332).
9641
9642bond(d73,d73_1,d73_2,7).
9643bond(d73,d73_2,d73_3,7).
9644bond(d73,d73_3,d73_4,7).
9645bond(d73,d73_4,d73_5,7).
9646bond(d73,d73_5,d73_6,7).
9647bond(d73,d73_6,d73_1,7).
9648bond(d73,d73_1,d73_7,1).
9649bond(d73,d73_2,d73_8,1).
9650bond(d73,d73_3,d73_9,1).
9651bond(d73,d73_6,d73_10,1).
9652bond(d73,d73_11,d73_12,7).
9653bond(d73,d73_12,d73_13,7).
9654bond(d73,d73_13,d73_14,7).
9655bond(d73,d73_14,d73_15,7).
9656bond(d73,d73_15,d73_16,7).
9657bond(d73,d73_16,d73_11,7).
9658bond(d73,d73_12,d73_17,1).
9659bond(d73,d73_13,d73_18,1).
9660bond(d73,d73_14,d73_19,1).
9661bond(d73,d73_16,d73_20,1).
9662bond(d73,d73_4,d73_11,1).
9663bond(d73,d73_21,d73_15,1).
9664bond(d73,d73_22,d73_5,1).
9665bond(d73,d73_23,d73_22,2).
9666bond(d73,d73_22,d73_24,2).
9667bond(d73,d73_21,d73_25,1).
9668bond(d73,d73_21,d73_26,1).
9669atm(d74,d74_1,c,22,-0.123).
9670atm(d74,d74_2,c,22,-0.123).
9671atm(d74,d74_3,c,27,0.007).
9672atm(d74,d74_4,c,27,-0.093).
9673atm(d74,d74_5,c,28,0.007).
9674atm(d74,d74_6,c,22,-0.123).
9675atm(d74,d74_7,h,3,0.136).
9676atm(d74,d74_8,h,3,0.137).
9677atm(d74,d74_9,h,3,0.137).
9678atm(d74,d74_10,c,22,-0.123).
9679atm(d74,d74_11,c,22,-0.123).
9680atm(d74,d74_12,c,22,-0.123).
9681atm(d74,d74_13,c,29,0.007).
9682atm(d74,d74_14,h,3,0.136).
9683atm(d74,d74_15,h,3,0.136).
9684atm(d74,d74_16,h,3,0.136).
9685atm(d74,d74_17,c,28,0.007).
9686atm(d74,d74_18,c,28,0.007).
9687atm(d74,d74_19,c,22,-0.123).
9688atm(d74,d74_20,c,27,0.007).
9689atm(d74,d74_21,c,27,0.007).
9690atm(d74,d74_22,c,22,-0.123).
9691atm(d74,d74_23,h,3,0.136).
9692atm(d74,d74_24,h,3,0.137).
9693atm(d74,d74_25,c,22,-0.123).
9694atm(d74,d74_26,c,22,-0.123).
9695atm(d74,d74_27,c,22,-0.123).
9696atm(d74,d74_28,c,22,-0.123).
9697atm(d74,d74_29,h,3,0.137).
9698atm(d74,d74_30,h,3,0.137).
9699atm(d74,d74_31,h,3,0.137).
9700atm(d74,d74_32,n,38,0.806).
9701atm(d74,d74_33,o,40,-0.394).
9702atm(d74,d74_34,o,40,-0.394).
9703
9704bond(d74,d74_1,d74_2,7).
9705bond(d74,d74_2,d74_3,7).
9706bond(d74,d74_3,d74_4,7).
9707bond(d74,d74_4,d74_5,7).
9708bond(d74,d74_5,d74_6,7).
9709bond(d74,d74_6,d74_1,7).
9710bond(d74,d74_1,d74_7,1).
9711bond(d74,d74_2,d74_8,1).
9712bond(d74,d74_6,d74_9,1).
9713bond(d74,d74_3,d74_10,7).
9714bond(d74,d74_10,d74_11,7).
9715bond(d74,d74_11,d74_12,7).
9716bond(d74,d74_12,d74_13,7).
9717bond(d74,d74_13,d74_4,7).
9718bond(d74,d74_10,d74_14,1).
9719bond(d74,d74_11,d74_15,1).
9720bond(d74,d74_12,d74_16,1).
9721bond(d74,d74_17,d74_18,7).
9722bond(d74,d74_18,d74_19,7).
9723bond(d74,d74_19,d74_20,7).
9724bond(d74,d74_20,d74_21,7).
9725bond(d74,d74_21,d74_22,7).
9726bond(d74,d74_22,d74_17,7).
9727bond(d74,d74_19,d74_23,1).
9728bond(d74,d74_22,d74_24,1).
9729bond(d74,d74_20,d74_25,7).
9730bond(d74,d74_25,d74_26,7).
9731bond(d74,d74_26,d74_27,7).
9732bond(d74,d74_27,d74_28,7).
9733bond(d74,d74_28,d74_21,7).
9734bond(d74,d74_25,d74_29,1).
9735bond(d74,d74_27,d74_30,1).
9736bond(d74,d74_28,d74_31,1).
9737bond(d74,d74_17,d74_5,1).
9738bond(d74,d74_18,d74_13,1).
9739bond(d74,d74_26,d74_32,1).
9740bond(d74,d74_33,d74_32,2).
9741bond(d74,d74_32,d74_34,2).
9742atm(d75,d75_1,c,22,-0.12).
9743atm(d75,d75_2,c,22,-0.12).
9744atm(d75,d75_3,c,22,-0.12).
9745atm(d75,d75_4,c,29,0.01).
9746atm(d75,d75_5,c,22,-0.12).
9747atm(d75,d75_6,c,22,-0.12).
9748atm(d75,d75_7,h,3,0.14).
9749atm(d75,d75_8,h,3,0.14).
9750atm(d75,d75_9,h,3,0.14).
9751atm(d75,d75_10,h,3,0.14).
9752atm(d75,d75_11,c,29,0.01).
9753atm(d75,d75_12,c,22,-0.12).
9754atm(d75,d75_13,c,22,-0.12).
9755atm(d75,d75_14,c,22,-0.12).
9756atm(d75,d75_15,c,22,-0.12).
9757atm(d75,d75_16,c,22,-0.12).
9758atm(d75,d75_17,h,3,0.14).
9759atm(d75,d75_18,h,3,0.14).
9760atm(d75,d75_19,h,3,0.14).
9761atm(d75,d75_20,h,3,0.14).
9762atm(d75,d75_21,n,38,0.81).
9763atm(d75,d75_22,n,38,0.81).
9764atm(d75,d75_23,o,40,-0.39).
9765atm(d75,d75_24,o,40,-0.39).
9766atm(d75,d75_25,o,40,-0.39).
9767atm(d75,d75_26,o,40,-0.39).
9768
9769bond(d75,d75_1,d75_2,7).
9770bond(d75,d75_2,d75_3,7).
9771bond(d75,d75_3,d75_4,7).
9772bond(d75,d75_4,d75_5,7).
9773bond(d75,d75_5,d75_6,7).
9774bond(d75,d75_6,d75_1,7).
9775bond(d75,d75_2,d75_7,1).
9776bond(d75,d75_3,d75_8,1).
9777bond(d75,d75_5,d75_9,1).
9778bond(d75,d75_6,d75_10,1).
9779bond(d75,d75_11,d75_12,7).
9780bond(d75,d75_12,d75_13,7).
9781bond(d75,d75_13,d75_14,7).
9782bond(d75,d75_14,d75_15,7).
9783bond(d75,d75_15,d75_16,7).
9784bond(d75,d75_16,d75_11,7).
9785bond(d75,d75_12,d75_17,1).
9786bond(d75,d75_13,d75_18,1).
9787bond(d75,d75_15,d75_19,1).
9788bond(d75,d75_16,d75_20,1).
9789bond(d75,d75_4,d75_11,1).
9790bond(d75,d75_21,d75_14,1).
9791bond(d75,d75_1,d75_22,1).
9792bond(d75,d75_23,d75_21,2).
9793bond(d75,d75_21,d75_24,2).
9794bond(d75,d75_22,d75_25,2).
9795bond(d75,d75_22,d75_26,2).
9796atm(d76,d76_1,c,22,-0.097).
9797atm(d76,d76_2,c,22,-0.097).
9798atm(d76,d76_3,c,22,-0.097).
9799atm(d76,d76_4,c,22,-0.097).
9800atm(d76,d76_5,c,22,-0.097).
9801atm(d76,d76_6,c,22,-0.097).
9802atm(d76,d76_7,h,3,0.163).
9803atm(d76,d76_8,h,3,0.163).
9804atm(d76,d76_9,h,3,0.163).
9805atm(d76,d76_10,h,3,0.163).
9806atm(d76,d76_11,n,38,0.832).
9807atm(d76,d76_12,cl,93,-0.167).
9808atm(d76,d76_13,o,40,-0.368).
9809atm(d76,d76_14,o,40,-0.367).
9810
9811bond(d76,d76_1,d76_2,7).
9812bond(d76,d76_2,d76_3,7).
9813bond(d76,d76_3,d76_4,7).
9814bond(d76,d76_4,d76_5,7).
9815bond(d76,d76_5,d76_6,7).
9816bond(d76,d76_6,d76_1,7).
9817bond(d76,d76_1,d76_7,1).
9818bond(d76,d76_2,d76_8,1).
9819bond(d76,d76_3,d76_9,1).
9820bond(d76,d76_6,d76_10,1).
9821bond(d76,d76_11,d76_5,1).
9822bond(d76,d76_4,d76_12,1).
9823bond(d76,d76_13,d76_11,2).
9824bond(d76,d76_11,d76_14,2).
9825atm(d77,d77_1,c,22,-0.128).
9826atm(d77,d77_2,c,22,-0.128).
9827atm(d77,d77_3,c,22,-0.128).
9828atm(d77,d77_4,c,29,0.002).
9829atm(d77,d77_5,c,22,-0.128).
9830atm(d77,d77_6,c,22,-0.128).
9831atm(d77,d77_7,h,3,0.132).
9832atm(d77,d77_8,h,3,0.132).
9833atm(d77,d77_9,h,3,0.132).
9834atm(d77,d77_10,h,3,0.132).
9835atm(d77,d77_11,c,29,0.002).
9836atm(d77,d77_12,c,22,-0.128).
9837atm(d77,d77_13,c,22,-0.128).
9838atm(d77,d77_14,c,22,-0.128).
9839atm(d77,d77_15,c,22,-0.128).
9840atm(d77,d77_16,c,22,0.202).
9841atm(d77,d77_17,h,3,0.132).
9842atm(d77,d77_18,h,3,0.132).
9843atm(d77,d77_19,h,3,0.132).
9844atm(d77,d77_20,h,3,0.132).
9845atm(d77,d77_21,n,32,-0.779).
9846atm(d77,d77_22,n,38,0.801).
9847atm(d77,d77_23,o,40,-0.398).
9848atm(d77,d77_24,o,40,-0.398).
9849atm(d77,d77_25,h,1,0.332).
9850atm(d77,d77_26,h,1,0.332).
9851
9852bond(d77,d77_1,d77_2,7).
9853bond(d77,d77_2,d77_3,7).
9854bond(d77,d77_3,d77_4,7).
9855bond(d77,d77_4,d77_5,7).
9856bond(d77,d77_5,d77_6,7).
9857bond(d77,d77_6,d77_1,7).
9858bond(d77,d77_1,d77_7,1).
9859bond(d77,d77_2,d77_8,1).
9860bond(d77,d77_3,d77_9,1).
9861bond(d77,d77_5,d77_10,1).
9862bond(d77,d77_11,d77_12,7).
9863bond(d77,d77_12,d77_13,7).
9864bond(d77,d77_13,d77_14,7).
9865bond(d77,d77_14,d77_15,7).
9866bond(d77,d77_15,d77_16,7).
9867bond(d77,d77_16,d77_11,7).
9868bond(d77,d77_12,d77_17,1).
9869bond(d77,d77_13,d77_18,1).
9870bond(d77,d77_14,d77_19,1).
9871bond(d77,d77_15,d77_20,1).
9872bond(d77,d77_4,d77_11,1).
9873bond(d77,d77_16,d77_21,1).
9874bond(d77,d77_6,d77_22,1).
9875bond(d77,d77_23,d77_22,2).
9876bond(d77,d77_22,d77_24,2).
9877bond(d77,d77_21,d77_25,1).
9878bond(d77,d77_21,d77_26,1).
9879atm(d78,d78_1,c,22,-0.124).
9880atm(d78,d78_2,c,22,-0.124).
9881atm(d78,d78_3,c,22,-0.124).
9882atm(d78,d78_4,c,29,0.006).
9883atm(d78,d78_5,c,22,-0.174).
9884atm(d78,d78_6,c,22,-0.124).
9885atm(d78,d78_7,h,3,0.136).
9886atm(d78,d78_8,h,3,0.136).
9887atm(d78,d78_9,h,3,0.136).
9888atm(d78,d78_10,h,3,0.136).
9889atm(d78,d78_11,c,29,0.006).
9890atm(d78,d78_12,c,22,-0.124).
9891atm(d78,d78_13,c,22,-0.124).
9892atm(d78,d78_14,c,22,-0.124).
9893atm(d78,d78_15,c,22,-0.124).
9894atm(d78,d78_16,c,22,-0.124).
9895atm(d78,d78_17,h,3,0.136).
9896atm(d78,d78_18,h,3,0.136).
9897atm(d78,d78_19,h,3,0.136).
9898atm(d78,d78_20,h,3,0.136).
9899atm(d78,d78_21,c,10,0.006).
9900atm(d78,d78_22,h,3,0.056).
9901atm(d78,d78_23,h,3,0.056).
9902atm(d78,d78_24,h,3,0.056).
9903atm(d78,d78_25,n,38,0.805).
9904atm(d78,d78_26,o,40,-0.394).
9905atm(d78,d78_27,o,40,-0.395).
9906
9907bond(d78,d78_1,d78_2,7).
9908bond(d78,d78_2,d78_3,7).
9909bond(d78,d78_3,d78_4,7).
9910bond(d78,d78_4,d78_5,7).
9911bond(d78,d78_5,d78_6,7).
9912bond(d78,d78_6,d78_1,7).
9913bond(d78,d78_1,d78_7,1).
9914bond(d78,d78_2,d78_8,1).
9915bond(d78,d78_3,d78_9,1).
9916bond(d78,d78_6,d78_10,1).
9917bond(d78,d78_11,d78_12,7).
9918bond(d78,d78_12,d78_13,7).
9919bond(d78,d78_13,d78_14,7).
9920bond(d78,d78_14,d78_15,7).
9921bond(d78,d78_15,d78_16,7).
9922bond(d78,d78_16,d78_11,7).
9923bond(d78,d78_12,d78_17,1).
9924bond(d78,d78_13,d78_18,1).
9925bond(d78,d78_15,d78_19,1).
9926bond(d78,d78_16,d78_20,1).
9927bond(d78,d78_4,d78_11,1).
9928bond(d78,d78_21,d78_5,1).
9929bond(d78,d78_21,d78_22,1).
9930bond(d78,d78_21,d78_23,1).
9931bond(d78,d78_21,d78_24,1).
9932bond(d78,d78_14,d78_25,1).
9933bond(d78,d78_26,d78_25,2).
9934bond(d78,d78_25,d78_27,2).
9935atm(d79,d79_1,c,22,-0.135).
9936atm(d79,d79_2,c,22,-0.136).
9937atm(d79,d79_3,c,22,0.174).
9938atm(d79,d79_4,c,22,0.174).
9939atm(d79,d79_5,c,22,-0.135).
9940atm(d79,d79_6,c,22,-0.135).
9941atm(d79,d79_7,h,3,0.125).
9942atm(d79,d79_8,h,3,0.125).
9943atm(d79,d79_9,h,3,0.125).
9944atm(d79,d79_10,h,3,0.125).
9945atm(d79,d79_11,c,22,0.174).
9946atm(d79,d79_12,c,22,-0.135).
9947atm(d79,d79_13,c,22,-0.135).
9948atm(d79,d79_14,c,22,-0.135).
9949atm(d79,d79_15,c,22,-0.135).
9950atm(d79,d79_16,c,22,0.174).
9951atm(d79,d79_17,h,3,0.125).
9952atm(d79,d79_18,h,3,0.125).
9953atm(d79,d79_19,h,3,0.125).
9954atm(d79,d79_20,o,50,-0.236).
9955atm(d79,d79_21,o,50,-0.236).
9956atm(d79,d79_22,n,38,0.794).
9957atm(d79,d79_23,o,40,-0.406).
9958atm(d79,d79_24,o,40,-0.406).
9959
9960bond(d79,d79_1,d79_2,7).
9961bond(d79,d79_2,d79_3,7).
9962bond(d79,d79_3,d79_4,7).
9963bond(d79,d79_4,d79_5,7).
9964bond(d79,d79_5,d79_6,7).
9965bond(d79,d79_6,d79_1,7).
9966bond(d79,d79_1,d79_7,1).
9967bond(d79,d79_2,d79_8,1).
9968bond(d79,d79_5,d79_9,1).
9969bond(d79,d79_6,d79_10,1).
9970bond(d79,d79_11,d79_12,7).
9971bond(d79,d79_12,d79_13,7).
9972bond(d79,d79_13,d79_14,7).
9973bond(d79,d79_14,d79_15,7).
9974bond(d79,d79_15,d79_16,7).
9975bond(d79,d79_16,d79_11,7).
9976bond(d79,d79_12,d79_17,1).
9977bond(d79,d79_13,d79_18,1).
9978bond(d79,d79_15,d79_19,1).
9979bond(d79,d79_3,d79_20,1).
9980bond(d79,d79_20,d79_11,1).
9981bond(d79,d79_16,d79_21,1).
9982bond(d79,d79_21,d79_4,1).
9983bond(d79,d79_22,d79_14,1).
9984bond(d79,d79_23,d79_22,2).
9985bond(d79,d79_22,d79_24,2).
9986atm(d8,d8_1,c,22,-0.125).
9987atm(d8,d8_2,c,22,-0.125).
9988atm(d8,d8_3,c,22,-0.125).
9989atm(d8,d8_4,c,29,0.005).
9990atm(d8,d8_5,c,22,-0.125).
9991atm(d8,d8_6,c,22,-0.126).
9992atm(d8,d8_7,c,22,-0.125).
9993atm(d8,d8_8,c,22,-0.126).
9994atm(d8,d8_9,c,22,0.254).
9995atm(d8,d8_10,c,22,-0.125).
9996atm(d8,d8_11,c,22,-0.125).
9997atm(d8,d8_12,c,29,0.005).
9998atm(d8,d8_13,c,10,0.005).
9999atm(d8,d8_14,n,38,0.804).
10000atm(d8,d8_15,o,40,-0.396).
10001atm(d8,d8_16,o,40,-0.396).
10002atm(d8,d8_17,h,3,0.134).
10003atm(d8,d8_18,h,3,0.134).
10004atm(d8,d8_19,h,3,0.134).
10005atm(d8,d8_20,h,3,0.134).
10006atm(d8,d8_21,h,3,0.134).
10007atm(d8,d8_22,h,3,0.134).
10008atm(d8,d8_23,h,3,0.055).
10009atm(d8,d8_24,h,3,0.055).
10010atm(d8,d8_25,o,49,-0.396).
10011atm(d8,d8_26,c,14,0.704).
10012atm(d8,d8_27,c,10,0.005).
10013atm(d8,d8_28,h,3,0.055).
10014atm(d8,d8_29,h,3,0.055).
10015atm(d8,d8_30,h,3,0.055).
10016atm(d8,d8_31,o,51,-0.546).
10017
10018bond(d8,d8_1,d8_2,7).
10019bond(d8,d8_2,d8_3,7).
10020bond(d8,d8_3,d8_4,7).
10021bond(d8,d8_4,d8_5,7).
10022bond(d8,d8_5,d8_6,7).
10023bond(d8,d8_6,d8_1,7).
10024bond(d8,d8_7,d8_8,7).
10025bond(d8,d8_8,d8_9,7).
10026bond(d8,d8_9,d8_10,7).
10027bond(d8,d8_10,d8_11,7).
10028bond(d8,d8_11,d8_12,7).
10029bond(d8,d8_12,d8_7,7).
10030bond(d8,d8_4,d8_12,1).
10031bond(d8,d8_3,d8_13,1).
10032bond(d8,d8_13,d8_7,1).
10033bond(d8,d8_1,d8_14,1).
10034bond(d8,d8_14,d8_15,2).
10035bond(d8,d8_14,d8_16,2).
10036bond(d8,d8_2,d8_17,1).
10037bond(d8,d8_5,d8_18,1).
10038bond(d8,d8_6,d8_19,1).
10039bond(d8,d8_8,d8_20,1).
10040bond(d8,d8_10,d8_21,1).
10041bond(d8,d8_11,d8_22,1).
10042bond(d8,d8_13,d8_23,1).
10043bond(d8,d8_13,d8_24,1).
10044bond(d8,d8_9,d8_25,1).
10045bond(d8,d8_25,d8_26,1).
10046bond(d8,d8_26,d8_27,1).
10047bond(d8,d8_27,d8_28,1).
10048bond(d8,d8_27,d8_29,1).
10049bond(d8,d8_27,d8_30,1).
10050bond(d8,d8_26,d8_31,2).
10051atm(d80,d80_1,c,22,-0.122).
10052atm(d80,d80_2,c,22,-0.122).
10053atm(d80,d80_3,c,27,0.008).
10054atm(d80,d80_4,c,27,-0.092).
10055atm(d80,d80_5,c,28,0.008).
10056atm(d80,d80_6,c,22,-0.122).
10057atm(d80,d80_7,h,3,0.139).
10058atm(d80,d80_8,h,3,0.138).
10059atm(d80,d80_9,h,3,0.138).
10060atm(d80,d80_10,c,22,-0.122).
10061atm(d80,d80_11,c,22,-0.122).
10062atm(d80,d80_12,c,22,-0.122).
10063atm(d80,d80_13,c,29,0.008).
10064atm(d80,d80_14,h,3,0.139).
10065atm(d80,d80_15,h,3,0.138).
10066atm(d80,d80_16,h,3,0.138).
10067atm(d80,d80_17,c,28,0.008).
10068atm(d80,d80_18,c,28,0.008).
10069atm(d80,d80_19,c,22,-0.122).
10070atm(d80,d80_20,c,22,-0.122).
10071atm(d80,d80_21,c,22,-0.122).
10072atm(d80,d80_22,c,22,-0.122).
10073atm(d80,d80_23,h,3,0.139).
10074atm(d80,d80_24,h,3,0.138).
10075atm(d80,d80_25,h,3,0.138).
10076atm(d80,d80_26,n,38,0.809).
10077atm(d80,d80_27,o,40,-0.391).
10078atm(d80,d80_28,o,40,-0.391).
10079
10080bond(d80,d80_1,d80_2,7).
10081bond(d80,d80_2,d80_3,7).
10082bond(d80,d80_3,d80_4,7).
10083bond(d80,d80_4,d80_5,7).
10084bond(d80,d80_5,d80_6,7).
10085bond(d80,d80_6,d80_1,7).
10086bond(d80,d80_1,d80_7,1).
10087bond(d80,d80_2,d80_8,1).
10088bond(d80,d80_6,d80_9,1).
10089bond(d80,d80_3,d80_10,7).
10090bond(d80,d80_10,d80_11,7).
10091bond(d80,d80_11,d80_12,7).
10092bond(d80,d80_12,d80_13,7).
10093bond(d80,d80_13,d80_4,7).
10094bond(d80,d80_10,d80_14,1).
10095bond(d80,d80_11,d80_15,1).
10096bond(d80,d80_12,d80_16,1).
10097bond(d80,d80_17,d80_18,7).
10098bond(d80,d80_18,d80_19,7).
10099bond(d80,d80_19,d80_20,7).
10100bond(d80,d80_20,d80_21,7).
10101bond(d80,d80_21,d80_22,7).
10102bond(d80,d80_22,d80_17,7).
10103bond(d80,d80_19,d80_23,1).
10104bond(d80,d80_20,d80_24,1).
10105bond(d80,d80_21,d80_25,1).
10106bond(d80,d80_17,d80_5,1).
10107bond(d80,d80_18,d80_13,1).
10108bond(d80,d80_22,d80_26,1).
10109bond(d80,d80_27,d80_26,2).
10110bond(d80,d80_26,d80_28,2).
10111atm(d81,d81_1,c,22,-0.114).
10112atm(d81,d81_2,c,22,-0.114).
10113atm(d81,d81_3,c,22,-0.114).
10114atm(d81,d81_4,c,22,-0.114).
10115atm(d81,d81_5,c,22,-0.114).
10116atm(d81,d81_6,c,22,-0.114).
10117atm(d81,d81_7,h,3,0.146).
10118atm(d81,d81_8,h,3,0.146).
10119atm(d81,d81_9,h,3,0.146).
10120atm(d81,d81_10,h,3,0.146).
10121atm(d81,d81_11,n,38,0.817).
10122atm(d81,d81_12,n,38,0.817).
10123atm(d81,d81_13,o,40,-0.383).
10124atm(d81,d81_14,o,40,-0.384).
10125atm(d81,d81_15,o,40,-0.384).
10126atm(d81,d81_16,o,40,-0.383).
10127
10128bond(d81,d81_1,d81_2,7).
10129bond(d81,d81_2,d81_3,7).
10130bond(d81,d81_3,d81_4,7).
10131bond(d81,d81_4,d81_5,7).
10132bond(d81,d81_5,d81_6,7).
10133bond(d81,d81_6,d81_1,7).
10134bond(d81,d81_1,d81_7,1).
10135bond(d81,d81_2,d81_8,1).
10136bond(d81,d81_4,d81_9,1).
10137bond(d81,d81_6,d81_10,1).
10138bond(d81,d81_11,d81_5,1).
10139bond(d81,d81_3,d81_12,1).
10140bond(d81,d81_13,d81_11,2).
10141bond(d81,d81_11,d81_14,2).
10142bond(d81,d81_15,d81_12,2).
10143bond(d81,d81_12,d81_16,2).
10144atm(d82,d82_1,c,22,-0.115).
10145atm(d82,d82_2,c,22,-0.115).
10146atm(d82,d82_3,c,27,0.015).
10147atm(d82,d82_4,c,27,-0.085).
10148atm(d82,d82_5,c,28,0.015).
10149atm(d82,d82_6,c,22,-0.115).
10150atm(d82,d82_7,h,3,0.145).
10151atm(d82,d82_8,h,3,0.145).
10152atm(d82,d82_9,c,22,-0.115).
10153atm(d82,d82_10,c,22,-0.115).
10154atm(d82,d82_11,c,22,-0.115).
10155atm(d82,d82_12,c,29,0.015).
10156atm(d82,d82_13,h,3,0.145).
10157atm(d82,d82_14,c,28,0.015).
10158atm(d82,d82_15,c,28,0.015).
10159atm(d82,d82_16,c,22,-0.115).
10160atm(d82,d82_17,c,22,-0.115).
10161atm(d82,d82_18,c,22,-0.115).
10162atm(d82,d82_19,c,22,-0.115).
10163atm(d82,d82_20,h,3,0.146).
10164atm(d82,d82_21,h,3,0.145).
10165atm(d82,d82_22,h,3,0.145).
10166atm(d82,d82_23,h,3,0.145).
10167atm(d82,d82_24,n,38,0.816).
10168atm(d82,d82_25,n,38,0.816).
10169atm(d82,d82_26,n,38,0.816).
10170atm(d82,d82_27,o,40,-0.384).
10171atm(d82,d82_28,o,40,-0.384).
10172atm(d82,d82_29,o,40,-0.384).
10173atm(d82,d82_30,o,40,-0.384).
10174atm(d82,d82_31,o,40,-0.384).
10175atm(d82,d82_32,o,40,-0.384).
10176
10177bond(d82,d82_1,d82_2,7).
10178bond(d82,d82_2,d82_3,7).
10179bond(d82,d82_3,d82_4,7).
10180bond(d82,d82_4,d82_5,7).
10181bond(d82,d82_5,d82_6,7).
10182bond(d82,d82_6,d82_1,7).
10183bond(d82,d82_1,d82_7,1).
10184bond(d82,d82_6,d82_8,1).
10185bond(d82,d82_3,d82_9,7).
10186bond(d82,d82_9,d82_10,7).
10187bond(d82,d82_10,d82_11,7).
10188bond(d82,d82_11,d82_12,7).
10189bond(d82,d82_12,d82_4,7).
10190bond(d82,d82_9,d82_13,1).
10191bond(d82,d82_14,d82_15,7).
10192bond(d82,d82_15,d82_16,7).
10193bond(d82,d82_16,d82_17,7).
10194bond(d82,d82_17,d82_18,7).
10195bond(d82,d82_18,d82_19,7).
10196bond(d82,d82_19,d82_14,7).
10197bond(d82,d82_16,d82_20,1).
10198bond(d82,d82_17,d82_21,1).
10199bond(d82,d82_18,d82_22,1).
10200bond(d82,d82_19,d82_23,1).
10201bond(d82,d82_14,d82_5,1).
10202bond(d82,d82_15,d82_12,1).
10203bond(d82,d82_11,d82_24,1).
10204bond(d82,d82_10,d82_25,1).
10205bond(d82,d82_2,d82_26,1).
10206bond(d82,d82_24,d82_27,2).
10207bond(d82,d82_24,d82_28,2).
10208bond(d82,d82_29,d82_25,2).
10209bond(d82,d82_25,d82_30,2).
10210bond(d82,d82_26,d82_31,2).
10211bond(d82,d82_26,d82_32,2).
10212atm(d83,d83_1,c,22,-0.148).
10213atm(d83,d83_2,c,22,-0.148).
10214atm(d83,d83_3,c,26,0.282).
10215atm(d83,d83_4,c,26,0.082).
10216atm(d83,d83_5,c,22,-0.148).
10217atm(d83,d83_6,c,22,-0.148).
10218atm(d83,d83_7,c,26,0.282).
10219atm(d83,d83_8,c,22,-0.148).
10220atm(d83,d83_9,c,22,-0.148).
10221atm(d83,d83_10,c,22,-0.148).
10222atm(d83,d83_11,c,22,-0.148).
10223atm(d83,d83_12,c,26,0.082).
10224atm(d83,d83_13,n,34,-0.557).
10225atm(d83,d83_14,n,38,0.783).
10226atm(d83,d83_15,o,40,-0.418).
10227atm(d83,d83_16,o,40,-0.418).
10228atm(d83,d83_17,h,3,0.112).
10229atm(d83,d83_18,h,3,0.112).
10230atm(d83,d83_19,h,3,0.112).
10231atm(d83,d83_20,h,3,0.112).
10232atm(d83,d83_21,h,3,0.112).
10233atm(d83,d83_22,h,3,0.112).
10234atm(d83,d83_23,h,3,0.112).
10235atm(d83,d83_24,h,1,0.282).
10236
10237bond(d83,d83_1,d83_2,7).
10238bond(d83,d83_2,d83_3,7).
10239bond(d83,d83_3,d83_4,7).
10240bond(d83,d83_4,d83_5,7).
10241bond(d83,d83_5,d83_6,7).
10242bond(d83,d83_6,d83_1,7).
10243bond(d83,d83_7,d83_8,7).
10244bond(d83,d83_8,d83_9,7).
10245bond(d83,d83_9,d83_10,7).
10246bond(d83,d83_10,d83_11,7).
10247bond(d83,d83_11,d83_12,7).
10248bond(d83,d83_12,d83_7,7).
10249bond(d83,d83_4,d83_12,7).
10250bond(d83,d83_3,d83_13,7).
10251bond(d83,d83_13,d83_7,7).
10252bond(d83,d83_9,d83_14,1).
10253bond(d83,d83_15,d83_14,2).
10254bond(d83,d83_14,d83_16,2).
10255bond(d83,d83_1,d83_17,1).
10256bond(d83,d83_2,d83_18,1).
10257bond(d83,d83_5,d83_19,1).
10258bond(d83,d83_6,d83_20,1).
10259bond(d83,d83_8,d83_21,1).
10260bond(d83,d83_10,d83_22,1).
10261bond(d83,d83_11,d83_23,1).
10262bond(d83,d83_13,d83_24,1).
10263atm(d84,d84_1,c,22,-0.123).
10264atm(d84,d84_2,c,22,-0.123).
10265atm(d84,d84_3,c,22,-0.123).
10266atm(d84,d84_4,c,22,-0.123).
10267atm(d84,d84_5,c,22,0.107).
10268atm(d84,d84_6,c,22,-0.123).
10269atm(d84,d84_7,h,3,0.137).
10270atm(d84,d84_8,h,3,0.137).
10271atm(d84,d84_9,h,3,0.137).
10272atm(d84,d84_10,h,3,0.137).
10273atm(d84,d84_11,c,16,-0.193).
10274atm(d84,d84_12,c,16,-0.192).
10275atm(d84,d84_13,h,3,0.107).
10276atm(d84,d84_14,h,3,0.107).
10277atm(d84,d84_15,h,3,0.107).
10278atm(d84,d84_16,n,38,0.808).
10279atm(d84,d84_17,o,40,-0.392).
10280atm(d84,d84_18,o,40,-0.392).
10281
10282bond(d84,d84_1,d84_2,7).
10283bond(d84,d84_2,d84_3,7).
10284bond(d84,d84_3,d84_4,7).
10285bond(d84,d84_4,d84_5,7).
10286bond(d84,d84_5,d84_6,7).
10287bond(d84,d84_6,d84_1,7).
10288bond(d84,d84_1,d84_7,1).
10289bond(d84,d84_3,d84_8,1).
10290bond(d84,d84_4,d84_9,1).
10291bond(d84,d84_6,d84_10,1).
10292bond(d84,d84_11,d84_5,1).
10293bond(d84,d84_11,d84_12,2).
10294bond(d84,d84_11,d84_13,1).
10295bond(d84,d84_12,d84_14,1).
10296bond(d84,d84_12,d84_15,1).
10297bond(d84,d84_2,d84_16,1).
10298bond(d84,d84_16,d84_17,2).
10299bond(d84,d84_16,d84_18,2).
10300atm(d85,d85_1,c,22,-0.112).
10301atm(d85,d85_2,c,22,-0.112).
10302atm(d85,d85_3,c,22,-0.112).
10303atm(d85,d85_4,c,27,-0.082).
10304atm(d85,d85_5,c,27,0.018).
10305atm(d85,d85_6,c,22,-0.112).
10306atm(d85,d85_7,c,27,-0.082).
10307atm(d85,d85_8,c,27,-0.082).
10308atm(d85,d85_9,c,26,-0.082).
10309atm(d85,d85_10,c,22,-0.112).
10310atm(d85,d85_11,c,22,-0.112).
10311atm(d85,d85_12,c,27,0.018).
10312atm(d85,d85_13,c,27,-0.082).
10313atm(d85,d85_14,c,27,-0.082).
10314atm(d85,d85_15,c,22,-0.112).
10315atm(d85,d85_16,c,22,-0.112).
10316atm(d85,d85_17,c,22,-0.112).
10317atm(d85,d85_18,c,22,-0.112).
10318atm(d85,d85_19,c,21,0.018).
10319atm(d85,d85_20,c,21,-0.112).
10320atm(d85,d85_21,h,3,0.147).
10321atm(d85,d85_22,h,3,0.148).
10322atm(d85,d85_23,h,3,0.148).
10323atm(d85,d85_24,h,3,0.147).
10324atm(d85,d85_25,h,3,0.147).
10325atm(d85,d85_26,h,3,0.147).
10326atm(d85,d85_27,h,3,0.147).
10327atm(d85,d85_28,h,3,0.147).
10328atm(d85,d85_29,h,3,0.147).
10329atm(d85,d85_30,h,3,0.147).
10330atm(d85,d85_31,h,3,0.147).
10331atm(d85,d85_32,n,38,0.817).
10332atm(d85,d85_33,o,40,-0.383).
10333atm(d85,d85_34,o,40,-0.383).
10334
10335bond(d85,d85_1,d85_2,7).
10336bond(d85,d85_2,d85_3,7).
10337bond(d85,d85_3,d85_4,7).
10338bond(d85,d85_4,d85_5,7).
10339bond(d85,d85_5,d85_6,7).
10340bond(d85,d85_6,d85_1,7).
10341bond(d85,d85_4,d85_7,7).
10342bond(d85,d85_7,d85_8,7).
10343bond(d85,d85_8,d85_9,7).
10344bond(d85,d85_9,d85_10,7).
10345bond(d85,d85_10,d85_5,7).
10346bond(d85,d85_7,d85_11,7).
10347bond(d85,d85_11,d85_12,7).
10348bond(d85,d85_12,d85_13,7).
10349bond(d85,d85_13,d85_14,7).
10350bond(d85,d85_14,d85_8,7).
10351bond(d85,d85_12,d85_15,7).
10352bond(d85,d85_15,d85_16,7).
10353bond(d85,d85_16,d85_17,7).
10354bond(d85,d85_17,d85_18,7).
10355bond(d85,d85_18,d85_13,7).
10356bond(d85,d85_19,d85_9,7).
10357bond(d85,d85_19,d85_20,7).
10358bond(d85,d85_20,d85_14,7).
10359bond(d85,d85_1,d85_21,1).
10360bond(d85,d85_2,d85_22,1).
10361bond(d85,d85_3,d85_23,1).
10362bond(d85,d85_6,d85_24,1).
10363bond(d85,d85_10,d85_25,1).
10364bond(d85,d85_11,d85_26,1).
10365bond(d85,d85_15,d85_27,1).
10366bond(d85,d85_16,d85_28,1).
10367bond(d85,d85_17,d85_29,1).
10368bond(d85,d85_18,d85_30,1).
10369bond(d85,d85_20,d85_31,1).
10370bond(d85,d85_32,d85_19,1).
10371bond(d85,d85_33,d85_32,2).
10372bond(d85,d85_32,d85_34,2).
10373atm(d86,d86_1,c,22,-0.109).
10374atm(d86,d86_2,c,22,-0.109).
10375atm(d86,d86_3,c,22,-0.109).
10376atm(d86,d86_4,c,27,-0.079).
10377atm(d86,d86_5,c,27,0.021).
10378atm(d86,d86_6,c,22,-0.109).
10379atm(d86,d86_7,c,27,-0.079).
10380atm(d86,d86_8,c,27,-0.079).
10381atm(d86,d86_9,c,26,-0.079).
10382atm(d86,d86_10,c,22,-0.109).
10383atm(d86,d86_11,c,22,-0.109).
10384atm(d86,d86_12,c,27,0.021).
10385atm(d86,d86_13,c,27,-0.079).
10386atm(d86,d86_14,c,27,-0.079).
10387atm(d86,d86_15,c,22,-0.109).
10388atm(d86,d86_16,c,22,-0.108).
10389atm(d86,d86_17,c,22,-0.108).
10390atm(d86,d86_18,c,22,-0.109).
10391atm(d86,d86_19,c,21,-0.079).
10392atm(d86,d86_20,c,21,-0.109).
10393atm(d86,d86_21,h,3,0.152).
10394atm(d86,d86_22,h,3,0.152).
10395atm(d86,d86_23,h,3,0.152).
10396atm(d86,d86_24,h,3,0.152).
10397atm(d86,d86_25,h,3,0.152).
10398atm(d86,d86_26,h,3,0.152).
10399atm(d86,d86_27,h,3,0.152).
10400atm(d86,d86_28,h,3,0.152).
10401atm(d86,d86_29,h,3,0.152).
10402atm(d86,d86_30,h,3,0.152).
10403atm(d86,d86_31,h,3,0.122).
10404atm(d86,d86_32,n,38,0.822).
10405atm(d86,d86_33,o,40,-0.378).
10406atm(d86,d86_34,o,40,-0.378).
10407
10408bond(d86,d86_1,d86_2,7).
10409bond(d86,d86_2,d86_3,7).
10410bond(d86,d86_3,d86_4,7).
10411bond(d86,d86_4,d86_5,7).
10412bond(d86,d86_5,d86_6,7).
10413bond(d86,d86_6,d86_1,7).
10414bond(d86,d86_4,d86_7,7).
10415bond(d86,d86_7,d86_8,7).
10416bond(d86,d86_8,d86_9,7).
10417bond(d86,d86_9,d86_10,7).
10418bond(d86,d86_10,d86_5,7).
10419bond(d86,d86_7,d86_11,7).
10420bond(d86,d86_11,d86_12,7).
10421bond(d86,d86_12,d86_13,7).
10422bond(d86,d86_13,d86_14,7).
10423bond(d86,d86_14,d86_8,7).
10424bond(d86,d86_12,d86_15,7).
10425bond(d86,d86_15,d86_16,7).
10426bond(d86,d86_16,d86_17,7).
10427bond(d86,d86_17,d86_18,7).
10428bond(d86,d86_18,d86_13,7).
10429bond(d86,d86_19,d86_9,7).
10430bond(d86,d86_19,d86_20,7).
10431bond(d86,d86_20,d86_14,7).
10432bond(d86,d86_1,d86_21,1).
10433bond(d86,d86_2,d86_22,1).
10434bond(d86,d86_3,d86_23,1).
10435bond(d86,d86_6,d86_24,1).
10436bond(d86,d86_11,d86_25,1).
10437bond(d86,d86_15,d86_26,1).
10438bond(d86,d86_16,d86_27,1).
10439bond(d86,d86_17,d86_28,1).
10440bond(d86,d86_18,d86_29,1).
10441bond(d86,d86_20,d86_30,1).
10442bond(d86,d86_19,d86_31,1).
10443bond(d86,d86_32,d86_10,1).
10444bond(d86,d86_33,d86_32,2).
10445bond(d86,d86_32,d86_34,2).
10446atm(d87,d87_1,c,22,-0.141).
10447atm(d87,d87_2,c,22,-0.141).
10448atm(d87,d87_3,c,26,0.09).
10449atm(d87,d87_4,c,26,0.09).
10450atm(d87,d87_5,c,22,-0.141).
10451atm(d87,d87_6,c,22,-0.141).
10452atm(d87,d87_7,c,26,0.09).
10453atm(d87,d87_8,c,22,-0.141).
10454atm(d87,d87_9,c,22,-0.141).
10455atm(d87,d87_10,c,22,-0.14).
10456atm(d87,d87_11,c,22,-0.141).
10457atm(d87,d87_12,c,26,0.09).
10458atm(d87,d87_13,o,52,-0.04).
10459atm(d87,d87_14,n,38,0.789).
10460atm(d87,d87_15,o,40,-0.411).
10461atm(d87,d87_16,o,40,-0.411).
10462atm(d87,d87_17,h,3,0.12).
10463atm(d87,d87_18,h,3,0.12).
10464atm(d87,d87_19,h,3,0.12).
10465atm(d87,d87_20,h,3,0.12).
10466atm(d87,d87_21,h,3,0.12).
10467atm(d87,d87_22,h,3,0.12).
10468atm(d87,d87_23,h,3,0.12).
10469
10470bond(d87,d87_1,d87_2,7).
10471bond(d87,d87_2,d87_3,7).
10472bond(d87,d87_3,d87_4,7).
10473bond(d87,d87_4,d87_5,7).
10474bond(d87,d87_5,d87_6,7).
10475bond(d87,d87_6,d87_1,7).
10476bond(d87,d87_7,d87_8,7).
10477bond(d87,d87_8,d87_9,7).
10478bond(d87,d87_9,d87_10,7).
10479bond(d87,d87_10,d87_11,7).
10480bond(d87,d87_11,d87_12,7).
10481bond(d87,d87_12,d87_7,7).
10482bond(d87,d87_4,d87_12,7).
10483bond(d87,d87_3,d87_13,7).
10484bond(d87,d87_13,d87_7,7).
10485bond(d87,d87_9,d87_14,1).
10486bond(d87,d87_14,d87_15,2).
10487bond(d87,d87_14,d87_16,2).
10488bond(d87,d87_1,d87_17,1).
10489bond(d87,d87_2,d87_18,1).
10490bond(d87,d87_5,d87_19,1).
10491bond(d87,d87_6,d87_20,1).
10492bond(d87,d87_8,d87_21,1).
10493bond(d87,d87_10,d87_22,1).
10494bond(d87,d87_11,d87_23,1).
10495atm(d88,d88_1,c,22,-0.129).
10496atm(d88,d88_2,c,22,-0.129).
10497atm(d88,d88_3,c,22,-0.129).
10498atm(d88,d88_4,c,22,-0.129).
10499atm(d88,d88_5,c,22,0.001).
10500atm(d88,d88_6,c,22,-0.129).
10501atm(d88,d88_7,h,3,0.13).
10502atm(d88,d88_8,h,3,0.13).
10503atm(d88,d88_9,h,3,0.13).
10504atm(d88,d88_10,h,3,0.13).
10505atm(d88,d88_11,c,14,0.55).
10506atm(d88,d88_12,c,10,0.001).
10507atm(d88,d88_13,h,3,0.051).
10508atm(d88,d88_14,h,3,0.051).
10509atm(d88,d88_15,h,3,0.051).
10510atm(d88,d88_16,o,42,-0.58).
10511atm(d88,d88_17,n,38,0.8).
10512atm(d88,d88_18,o,40,-0.4).
10513atm(d88,d88_19,o,40,-0.4).
10514
10515bond(d88,d88_1,d88_2,7).
10516bond(d88,d88_2,d88_3,7).
10517bond(d88,d88_3,d88_4,7).
10518bond(d88,d88_4,d88_5,7).
10519bond(d88,d88_5,d88_6,7).
10520bond(d88,d88_6,d88_1,7).
10521bond(d88,d88_1,d88_7,1).
10522bond(d88,d88_3,d88_8,1).
10523bond(d88,d88_4,d88_9,1).
10524bond(d88,d88_6,d88_10,1).
10525bond(d88,d88_11,d88_5,1).
10526bond(d88,d88_11,d88_12,1).
10527bond(d88,d88_12,d88_13,1).
10528bond(d88,d88_12,d88_14,1).
10529bond(d88,d88_12,d88_15,1).
10530bond(d88,d88_11,d88_16,2).
10531bond(d88,d88_2,d88_17,1).
10532bond(d88,d88_17,d88_18,2).
10533bond(d88,d88_17,d88_19,2).
10534atm(d89,d89_1,c,22,-0.107).
10535atm(d89,d89_2,c,22,-0.107).
10536atm(d89,d89_3,c,26,0.323).
10537atm(d89,d89_4,c,26,0.123).
10538atm(d89,d89_5,c,22,-0.107).
10539atm(d89,d89_6,c,22,-0.107).
10540atm(d89,d89_7,n,34,-0.517).
10541atm(d89,d89_8,n,34,-0.377).
10542atm(d89,d89_9,c,21,-0.107).
10543atm(d89,d89_10,c,10,0.113).
10544atm(d89,d89_11,n,38,0.823).
10545atm(d89,d89_12,o,40,-0.377).
10546atm(d89,d89_13,o,40,-0.377).
10547atm(d89,d89_14,h,3,0.153).
10548atm(d89,d89_15,h,3,0.123).
10549atm(d89,d89_16,h,3,0.153).
10550atm(d89,d89_17,h,3,0.153).
10551atm(d89,d89_18,h,3,0.073).
10552atm(d89,d89_19,h,3,0.073).
10553atm(d89,d89_20,h,3,0.073).
10554
10555bond(d89,d89_1,d89_2,7).
10556bond(d89,d89_2,d89_3,7).
10557bond(d89,d89_3,d89_4,7).
10558bond(d89,d89_4,d89_5,7).
10559bond(d89,d89_5,d89_6,7).
10560bond(d89,d89_6,d89_1,7).
10561bond(d89,d89_3,d89_7,7).
10562bond(d89,d89_7,d89_8,7).
10563bond(d89,d89_4,d89_9,7).
10564bond(d89,d89_9,d89_8,7).
10565bond(d89,d89_7,d89_10,1).
10566bond(d89,d89_2,d89_11,1).
10567bond(d89,d89_11,d89_12,2).
10568bond(d89,d89_11,d89_13,2).
10569bond(d89,d89_1,d89_14,1).
10570bond(d89,d89_5,d89_15,1).
10571bond(d89,d89_6,d89_16,1).
10572bond(d89,d89_9,d89_17,1).
10573bond(d89,d89_10,d89_18,1).
10574bond(d89,d89_10,d89_19,1).
10575bond(d89,d89_10,d89_20,1).
10576atm(d9,d9_1,c,22,-0.102).
10577atm(d9,d9_2,c,22,-0.102).
10578atm(d9,d9_3,c,26,-0.012).
10579atm(d9,d9_4,c,26,-0.072).
10580atm(d9,d9_5,c,22,-0.102).
10581atm(d9,d9_6,c,22,-0.102).
10582atm(d9,d9_7,n,34,-0.511).
10583atm(d9,d9_8,c,21,0.298).
10584atm(d9,d9_9,n,34,-0.511).
10585atm(d9,d9_10,n,38,0.829).
10586atm(d9,d9_11,o,40,-0.372).
10587atm(d9,d9_12,o,40,-0.372).
10588atm(d9,d9_13,h,3,0.158).
10589atm(d9,d9_14,h,3,0.158).
10590atm(d9,d9_15,h,3,0.158).
10591atm(d9,d9_16,h,3,0.128).
10592atm(d9,d9_17,h,1,0.529).
10593
10594bond(d9,d9_1,d9_2,7).
10595bond(d9,d9_2,d9_3,7).
10596bond(d9,d9_3,d9_4,7).
10597bond(d9,d9_4,d9_5,7).
10598bond(d9,d9_5,d9_6,7).
10599bond(d9,d9_6,d9_1,7).
10600bond(d9,d9_4,d9_7,7).
10601bond(d9,d9_7,d9_8,7).
10602bond(d9,d9_8,d9_9,7).
10603bond(d9,d9_9,d9_3,7).
10604bond(d9,d9_6,d9_10,1).
10605bond(d9,d9_10,d9_11,2).
10606bond(d9,d9_12,d9_10,2).
10607bond(d9,d9_1,d9_13,1).
10608bond(d9,d9_2,d9_14,1).
10609bond(d9,d9_5,d9_15,1).
10610bond(d9,d9_8,d9_16,1).
10611bond(d9,d9_9,d9_17,1).
10612atm(d90,d90_1,c,22,-0.109).
10613atm(d90,d90_2,c,22,-0.109).
10614atm(d90,d90_3,c,27,0.021).
10615atm(d90,d90_4,c,195,-0.079).
10616atm(d90,d90_5,c,195,-0.079).
10617atm(d90,d90_6,c,22,-0.109).
10618atm(d90,d90_7,h,3,0.152).
10619atm(d90,d90_8,h,3,0.152).
10620atm(d90,d90_9,h,3,0.152).
10621atm(d90,d90_10,c,22,-0.108).
10622atm(d90,d90_11,c,22,-0.109).
10623atm(d90,d90_12,c,27,0.021).
10624atm(d90,d90_13,c,195,-0.079).
10625atm(d90,d90_14,h,3,0.152).
10626atm(d90,d90_15,h,3,0.152).
10627atm(d90,d90_16,c,195,-0.079).
10628atm(d90,d90_17,c,27,-0.079).
10629atm(d90,d90_18,c,27,-0.079).
10630atm(d90,d90_19,c,22,-0.109).
10631atm(d90,d90_20,c,22,-0.108).
10632atm(d90,d90_21,c,22,-0.109).
10633atm(d90,d90_22,h,3,0.152).
10634atm(d90,d90_23,h,3,0.152).
10635atm(d90,d90_24,c,22,-0.109).
10636atm(d90,d90_25,c,22,-0.109).
10637atm(d90,d90_26,c,22,-0.109).
10638atm(d90,d90_27,c,22,-0.109).
10639atm(d90,d90_28,h,3,0.152).
10640atm(d90,d90_29,h,3,0.152).
10641atm(d90,d90_30,h,3,0.152).
10642atm(d90,d90_31,h,3,0.152).
10643atm(d90,d90_32,n,38,0.822).
10644atm(d90,d90_33,o,40,-0.378).
10645atm(d90,d90_34,o,40,-0.378).
10646
10647bond(d90,d90_1,d90_2,7).
10648bond(d90,d90_2,d90_3,7).
10649bond(d90,d90_3,d90_4,7).
10650bond(d90,d90_4,d90_5,7).
10651bond(d90,d90_5,d90_6,7).
10652bond(d90,d90_6,d90_1,7).
10653bond(d90,d90_1,d90_7,1).
10654bond(d90,d90_2,d90_8,1).
10655bond(d90,d90_6,d90_9,1).
10656bond(d90,d90_3,d90_10,7).
10657bond(d90,d90_10,d90_11,7).
10658bond(d90,d90_11,d90_12,7).
10659bond(d90,d90_12,d90_13,7).
10660bond(d90,d90_13,d90_4,7).
10661bond(d90,d90_10,d90_14,1).
10662bond(d90,d90_11,d90_15,1).
10663bond(d90,d90_13,d90_16,7).
10664bond(d90,d90_16,d90_17,7).
10665bond(d90,d90_17,d90_18,7).
10666bond(d90,d90_18,d90_5,7).
10667bond(d90,d90_12,d90_19,7).
10668bond(d90,d90_19,d90_20,7).
10669bond(d90,d90_20,d90_21,7).
10670bond(d90,d90_21,d90_16,7).
10671bond(d90,d90_19,d90_22,1).
10672bond(d90,d90_20,d90_23,1).
10673bond(d90,d90_17,d90_24,7).
10674bond(d90,d90_24,d90_25,7).
10675bond(d90,d90_25,d90_26,7).
10676bond(d90,d90_26,d90_27,7).
10677bond(d90,d90_27,d90_18,7).
10678bond(d90,d90_24,d90_28,1).
10679bond(d90,d90_25,d90_29,1).
10680bond(d90,d90_26,d90_30,1).
10681bond(d90,d90_27,d90_31,1).
10682bond(d90,d90_32,d90_21,1).
10683bond(d90,d90_33,d90_32,2).
10684bond(d90,d90_32,d90_34,2).
10685atm(d91,d91_1,c,10,0.206).
10686atm(d91,d91_2,c,10,0.017).
10687atm(d91,d91_3,c,22,-0.114).
10688atm(d91,d91_4,c,22,0.017).
10689atm(d91,d91_5,c,10,-0.083).
10690atm(d91,d91_6,c,10,-0.083).
10691atm(d91,d91_7,c,22,-0.113).
10692atm(d91,d91_8,c,27,0.017).
10693atm(d91,d91_9,c,27,-0.083).
10694atm(d91,d91_10,c,27,0.017).
10695atm(d91,d91_11,c,22,-0.113).
10696atm(d91,d91_12,c,22,-0.113).
10697atm(d91,d91_13,c,27,0.017).
10698atm(d91,d91_14,c,27,-0.083).
10699atm(d91,d91_15,c,27,0.017).
10700atm(d91,d91_16,c,22,-0.113).
10701atm(d91,d91_17,c,22,-0.114).
10702atm(d91,d91_18,c,22,-0.114).
10703atm(d91,d91_19,c,22,-0.113).
10704atm(d91,d91_20,c,22,-0.113).
10705atm(d91,d91_21,n,38,0.816).
10706atm(d91,d91_22,o,40,-0.385).
10707atm(d91,d91_23,o,40,-0.385).
10708atm(d91,d91_24,h,3,0.067).
10709atm(d91,d91_25,h,3,0.067).
10710atm(d91,d91_26,h,3,0.067).
10711atm(d91,d91_27,h,3,0.067).
10712atm(d91,d91_28,h,3,0.146).
10713atm(d91,d91_29,h,3,0.146).
10714atm(d91,d91_30,h,3,0.146).
10715atm(d91,d91_31,h,3,0.146).
10716atm(d91,d91_32,h,3,0.146).
10717atm(d91,d91_33,h,3,0.146).
10718atm(d91,d91_34,h,3,0.146).
10719atm(d91,d91_35,o,45,-0.634).
10720atm(d91,d91_36,h,3,0.077).
10721atm(d91,d91_37,o,45,-0.634).
10722atm(d91,d91_38,h,3,0.067).
10723atm(d91,d91_39,h,8,0.416).
10724atm(d91,d91_40,h,8,0.416).
10725
10726bond(d91,d91_1,d91_2,1).
10727bond(d91,d91_2,d91_3,1).
10728bond(d91,d91_3,d91_4,7).
10729bond(d91,d91_4,d91_5,1).
10730bond(d91,d91_5,d91_6,1).
10731bond(d91,d91_6,d91_1,1).
10732bond(d91,d91_3,d91_7,7).
10733bond(d91,d91_7,d91_8,7).
10734bond(d91,d91_8,d91_9,7).
10735bond(d91,d91_9,d91_10,7).
10736bond(d91,d91_10,d91_4,7).
10737bond(d91,d91_8,d91_11,7).
10738bond(d91,d91_11,d91_12,7).
10739bond(d91,d91_12,d91_13,7).
10740bond(d91,d91_13,d91_14,7).
10741bond(d91,d91_14,d91_9,7).
10742bond(d91,d91_14,d91_15,7).
10743bond(d91,d91_15,d91_16,7).
10744bond(d91,d91_16,d91_17,7).
10745bond(d91,d91_17,d91_10,7).
10746bond(d91,d91_13,d91_18,7).
10747bond(d91,d91_18,d91_19,7).
10748bond(d91,d91_19,d91_20,7).
10749bond(d91,d91_20,d91_15,7).
10750bond(d91,d91_18,d91_21,1).
10751bond(d91,d91_21,d91_22,2).
10752bond(d91,d91_21,d91_23,2).
10753bond(d91,d91_5,d91_24,1).
10754bond(d91,d91_5,d91_25,1).
10755bond(d91,d91_6,d91_26,1).
10756bond(d91,d91_6,d91_27,1).
10757bond(d91,d91_7,d91_28,1).
10758bond(d91,d91_11,d91_29,1).
10759bond(d91,d91_12,d91_30,1).
10760bond(d91,d91_16,d91_31,1).
10761bond(d91,d91_17,d91_32,1).
10762bond(d91,d91_19,d91_33,1).
10763bond(d91,d91_20,d91_34,1).
10764bond(d91,d91_1,d91_35,4).
10765bond(d91,d91_1,d91_36,1).
10766bond(d91,d91_2,d91_37,5).
10767bond(d91,d91_2,d91_38,1).
10768bond(d91,d91_35,d91_39,1).
10769bond(d91,d91_37,d91_40,1).
10770atm(d92,d92_1,c,22,-0.126).
10771atm(d92,d92_2,c,22,-0.126).
10772atm(d92,d92_3,c,22,0.004).
10773atm(d92,d92_4,c,29,0.004).
10774atm(d92,d92_5,c,22,0.004).
10775atm(d92,d92_6,c,22,-0.126).
10776atm(d92,d92_7,c,10,-0.096).
10777atm(d92,d92_8,c,10,-0.096).
10778atm(d92,d92_9,c,22,0.004).
10779atm(d92,d92_10,c,29,0.004).
10780atm(d92,d92_11,c,22,0.004).
10781atm(d92,d92_12,c,10,-0.096).
10782atm(d92,d92_13,c,10,-0.096).
10783atm(d92,d92_14,c,22,-0.126).
10784atm(d92,d92_15,c,22,-0.126).
10785atm(d92,d92_16,c,22,-0.126).
10786atm(d92,d92_17,n,38,0.805).
10787atm(d92,d92_18,o,40,-0.395).
10788atm(d92,d92_19,o,40,-0.396).
10789atm(d92,d92_20,h,3,0.134).
10790atm(d92,d92_21,h,3,0.134).
10791atm(d92,d92_22,h,3,0.134).
10792atm(d92,d92_23,h,3,0.134).
10793atm(d92,d92_24,h,3,0.134).
10794atm(d92,d92_25,h,3,0.054).
10795atm(d92,d92_26,h,3,0.054).
10796atm(d92,d92_27,h,3,0.054).
10797atm(d92,d92_28,h,3,0.054).
10798atm(d92,d92_29,h,3,0.054).
10799atm(d92,d92_30,h,3,0.054).
10800atm(d92,d92_31,h,3,0.054).
10801atm(d92,d92_32,h,3,0.054).
10802
10803bond(d92,d92_1,d92_2,7).
10804bond(d92,d92_2,d92_3,7).
10805bond(d92,d92_3,d92_4,7).
10806bond(d92,d92_4,d92_5,7).
10807bond(d92,d92_5,d92_6,7).
10808bond(d92,d92_6,d92_1,7).
10809bond(d92,d92_3,d92_7,1).
10810bond(d92,d92_7,d92_8,1).
10811bond(d92,d92_8,d92_9,1).
10812bond(d92,d92_9,d92_10,7).
10813bond(d92,d92_10,d92_4,1).
10814bond(d92,d92_10,d92_11,7).
10815bond(d92,d92_11,d92_12,1).
10816bond(d92,d92_12,d92_13,1).
10817bond(d92,d92_13,d92_5,1).
10818bond(d92,d92_9,d92_14,7).
10819bond(d92,d92_14,d92_15,7).
10820bond(d92,d92_15,d92_16,7).
10821bond(d92,d92_16,d92_11,7).
10822bond(d92,d92_15,d92_17,1).
10823bond(d92,d92_17,d92_18,2).
10824bond(d92,d92_17,d92_19,2).
10825bond(d92,d92_1,d92_20,1).
10826bond(d92,d92_2,d92_21,1).
10827bond(d92,d92_6,d92_22,1).
10828bond(d92,d92_14,d92_23,1).
10829bond(d92,d92_16,d92_24,1).
10830bond(d92,d92_13,d92_25,1).
10831bond(d92,d92_13,d92_26,1).
10832bond(d92,d92_12,d92_27,1).
10833bond(d92,d92_12,d92_28,1).
10834bond(d92,d92_8,d92_29,1).
10835bond(d92,d92_8,d92_30,1).
10836bond(d92,d92_7,d92_31,1).
10837bond(d92,d92_7,d92_32,1).
10838atm(d93,d93_1,c,22,-0.109).
10839atm(d93,d93_2,c,22,-0.109).
10840atm(d93,d93_3,c,27,0.021).
10841atm(d93,d93_4,c,195,-0.079).
10842atm(d93,d93_5,c,195,-0.079).
10843atm(d93,d93_6,c,22,-0.109).
10844atm(d93,d93_7,h,3,0.152).
10845atm(d93,d93_8,h,3,0.152).
10846atm(d93,d93_9,h,3,0.152).
10847atm(d93,d93_10,c,22,-0.108).
10848atm(d93,d93_11,c,22,-0.109).
10849atm(d93,d93_12,c,27,0.021).
10850atm(d93,d93_13,c,195,-0.079).
10851atm(d93,d93_14,h,3,0.152).
10852atm(d93,d93_15,h,3,0.152).
10853atm(d93,d93_16,c,195,-0.079).
10854atm(d93,d93_17,c,27,-0.079).
10855atm(d93,d93_18,c,27,-0.079).
10856atm(d93,d93_19,c,22,-0.109).
10857atm(d93,d93_20,c,22,-0.108).
10858atm(d93,d93_21,c,22,-0.109).
10859atm(d93,d93_22,h,3,0.152).
10860atm(d93,d93_23,h,3,0.152).
10861atm(d93,d93_24,c,22,-0.109).
10862atm(d93,d93_25,c,22,-0.109).
10863atm(d93,d93_26,c,22,-0.109).
10864atm(d93,d93_27,c,22,-0.109).
10865atm(d93,d93_28,h,3,0.152).
10866atm(d93,d93_29,h,3,0.152).
10867atm(d93,d93_30,h,3,0.152).
10868atm(d93,d93_31,h,3,0.152).
10869atm(d93,d93_32,n,38,0.822).
10870atm(d93,d93_33,o,40,-0.378).
10871atm(d93,d93_34,o,40,-0.378).
10872
10873bond(d93,d93_1,d93_2,7).
10874bond(d93,d93_2,d93_3,7).
10875bond(d93,d93_3,d93_4,7).
10876bond(d93,d93_4,d93_5,7).
10877bond(d93,d93_5,d93_6,7).
10878bond(d93,d93_6,d93_1,7).
10879bond(d93,d93_1,d93_7,1).
10880bond(d93,d93_2,d93_8,1).
10881bond(d93,d93_6,d93_9,1).
10882bond(d93,d93_3,d93_10,7).
10883bond(d93,d93_10,d93_11,7).
10884bond(d93,d93_11,d93_12,7).
10885bond(d93,d93_12,d93_13,7).
10886bond(d93,d93_13,d93_4,7).
10887bond(d93,d93_10,d93_14,1).
10888bond(d93,d93_11,d93_15,1).
10889bond(d93,d93_13,d93_16,7).
10890bond(d93,d93_16,d93_17,7).
10891bond(d93,d93_17,d93_18,7).
10892bond(d93,d93_18,d93_5,7).
10893bond(d93,d93_12,d93_19,7).
10894bond(d93,d93_19,d93_20,7).
10895bond(d93,d93_20,d93_21,7).
10896bond(d93,d93_21,d93_16,7).
10897bond(d93,d93_20,d93_22,1).
10898bond(d93,d93_21,d93_23,1).
10899bond(d93,d93_17,d93_24,7).
10900bond(d93,d93_24,d93_25,7).
10901bond(d93,d93_25,d93_26,7).
10902bond(d93,d93_26,d93_27,7).
10903bond(d93,d93_27,d93_18,7).
10904bond(d93,d93_24,d93_28,1).
10905bond(d93,d93_25,d93_29,1).
10906bond(d93,d93_26,d93_30,1).
10907bond(d93,d93_27,d93_31,1).
10908bond(d93,d93_19,d93_32,1).
10909bond(d93,d93_32,d93_33,2).
10910bond(d93,d93_32,d93_34,2).
10911atm(d94,d94_1,c,22,-0.118).
10912atm(d94,d94_2,c,22,-0.118).
10913atm(d94,d94_3,c,27,0.012).
10914atm(d94,d94_4,c,27,-0.088).
10915atm(d94,d94_5,c,27,0.012).
10916atm(d94,d94_6,c,22,-0.118).
10917atm(d94,d94_7,h,3,0.142).
10918atm(d94,d94_8,h,3,0.141).
10919atm(d94,d94_9,h,3,0.141).
10920atm(d94,d94_10,c,22,-0.118).
10921atm(d94,d94_11,c,22,-0.118).
10922atm(d94,d94_12,c,27,0.012).
10923atm(d94,d94_13,c,27,-0.088).
10924atm(d94,d94_14,h,3,0.141).
10925atm(d94,d94_15,c,27,0.012).
10926atm(d94,d94_16,c,22,-0.118).
10927atm(d94,d94_17,c,22,-0.118).
10928atm(d94,d94_18,h,3,0.142).
10929atm(d94,d94_19,h,3,0.142).
10930atm(d94,d94_20,c,22,-0.118).
10931atm(d94,d94_21,c,22,-0.118).
10932atm(d94,d94_22,c,22,-0.118).
10933atm(d94,d94_23,h,3,0.142).
10934atm(d94,d94_24,h,3,0.142).
10935atm(d94,d94_25,h,3,0.142).
10936atm(d94,d94_26,n,38,0.811).
10937atm(d94,d94_27,o,40,-0.389).
10938atm(d94,d94_28,o,40,-0.389).
10939
10940bond(d94,d94_1,d94_2,7).
10941bond(d94,d94_2,d94_3,7).
10942bond(d94,d94_3,d94_4,7).
10943bond(d94,d94_4,d94_5,7).
10944bond(d94,d94_5,d94_6,7).
10945bond(d94,d94_6,d94_1,7).
10946bond(d94,d94_1,d94_7,1).
10947bond(d94,d94_2,d94_8,1).
10948bond(d94,d94_6,d94_9,1).
10949bond(d94,d94_3,d94_10,7).
10950bond(d94,d94_10,d94_11,7).
10951bond(d94,d94_11,d94_12,7).
10952bond(d94,d94_12,d94_13,7).
10953bond(d94,d94_13,d94_4,7).
10954bond(d94,d94_10,d94_14,1).
10955bond(d94,d94_13,d94_15,7).
10956bond(d94,d94_15,d94_16,7).
10957bond(d94,d94_16,d94_17,7).
10958bond(d94,d94_17,d94_5,7).
10959bond(d94,d94_16,d94_18,1).
10960bond(d94,d94_17,d94_19,1).
10961bond(d94,d94_12,d94_20,7).
10962bond(d94,d94_20,d94_21,7).
10963bond(d94,d94_21,d94_22,7).
10964bond(d94,d94_22,d94_15,7).
10965bond(d94,d94_20,d94_23,1).
10966bond(d94,d94_21,d94_24,1).
10967bond(d94,d94_22,d94_25,1).
10968bond(d94,d94_11,d94_26,1).
10969bond(d94,d94_26,d94_27,2).
10970bond(d94,d94_26,d94_28,2).
10971atm(d95,d95_1,c,22,-0.114).
10972atm(d95,d95_2,c,22,-0.114).
10973atm(d95,d95_3,c,27,0.016).
10974atm(d95,d95_4,c,27,0.016).
10975atm(d95,d95_5,c,22,-0.114).
10976atm(d95,d95_6,c,22,-0.114).
10977atm(d95,d95_7,h,3,0.146).
10978atm(d95,d95_8,h,3,0.146).
10979atm(d95,d95_9,h,3,0.146).
10980atm(d95,d95_10,c,22,-0.114).
10981atm(d95,d95_11,c,22,-0.114).
10982atm(d95,d95_12,c,22,-0.114).
10983atm(d95,d95_13,c,22,-0.114).
10984atm(d95,d95_14,h,3,0.146).
10985atm(d95,d95_15,h,3,0.146).
10986atm(d95,d95_16,n,38,0.817).
10987atm(d95,d95_17,n,38,0.817).
10988atm(d95,d95_18,n,38,0.817).
10989atm(d95,d95_19,o,40,-0.384).
10990atm(d95,d95_20,o,40,-0.384).
10991atm(d95,d95_21,o,40,-0.383).
10992atm(d95,d95_22,o,40,-0.384).
10993atm(d95,d95_23,o,40,-0.383).
10994atm(d95,d95_24,o,40,-0.383).
10995
10996bond(d95,d95_1,d95_2,7).
10997bond(d95,d95_2,d95_3,7).
10998bond(d95,d95_3,d95_4,7).
10999bond(d95,d95_4,d95_5,7).
11000bond(d95,d95_5,d95_6,7).
11001bond(d95,d95_6,d95_1,7).
11002bond(d95,d95_1,d95_7,1).
11003bond(d95,d95_5,d95_8,1).
11004bond(d95,d95_6,d95_9,1).
11005bond(d95,d95_3,d95_10,7).
11006bond(d95,d95_10,d95_11,7).
11007bond(d95,d95_11,d95_12,7).
11008bond(d95,d95_12,d95_13,7).
11009bond(d95,d95_13,d95_4,7).
11010bond(d95,d95_10,d95_14,1).
11011bond(d95,d95_13,d95_15,1).
11012bond(d95,d95_12,d95_16,1).
11013bond(d95,d95_11,d95_17,1).
11014bond(d95,d95_2,d95_18,1).
11015bond(d95,d95_16,d95_19,2).
11016bond(d95,d95_16,d95_20,2).
11017bond(d95,d95_17,d95_21,2).
11018bond(d95,d95_17,d95_22,2).
11019bond(d95,d95_18,d95_23,2).
11020bond(d95,d95_18,d95_24,2).
11021atm(d96,d96_1,c,22,-0.112).
11022atm(d96,d96_2,c,22,-0.112).
11023atm(d96,d96_3,c,27,0.018).
11024atm(d96,d96_4,c,27,-0.082).
11025atm(d96,d96_5,c,27,0.018).
11026atm(d96,d96_6,c,22,-0.112).
11027atm(d96,d96_7,h,3,0.149).
11028atm(d96,d96_8,h,3,0.149).
11029atm(d96,d96_9,c,22,-0.112).
11030atm(d96,d96_10,c,22,-0.112).
11031atm(d96,d96_11,c,27,0.018).
11032atm(d96,d96_12,c,27,-0.082).
11033atm(d96,d96_13,h,3,0.149).
11034atm(d96,d96_14,h,3,0.148).
11035atm(d96,d96_15,c,27,0.018).
11036atm(d96,d96_16,c,22,-0.112).
11037atm(d96,d96_17,c,22,-0.112).
11038atm(d96,d96_18,h,3,0.149).
11039atm(d96,d96_19,h,3,0.149).
11040atm(d96,d96_20,c,22,-0.112).
11041atm(d96,d96_21,c,22,-0.112).
11042atm(d96,d96_22,c,22,-0.112).
11043atm(d96,d96_23,h,3,0.148).
11044atm(d96,d96_24,n,38,0.819).
11045atm(d96,d96_25,n,38,0.819).
11046atm(d96,d96_26,n,38,0.819).
11047atm(d96,d96_27,o,40,-0.381).
11048atm(d96,d96_28,o,40,-0.381).
11049atm(d96,d96_29,o,40,-0.381).
11050atm(d96,d96_30,o,40,-0.381).
11051atm(d96,d96_31,o,40,-0.381).
11052atm(d96,d96_32,o,40,-0.381).
11053
11054bond(d96,d96_1,d96_2,7).
11055bond(d96,d96_2,d96_3,7).
11056bond(d96,d96_3,d96_4,7).
11057bond(d96,d96_4,d96_5,7).
11058bond(d96,d96_5,d96_6,7).
11059bond(d96,d96_6,d96_1,7).
11060bond(d96,d96_1,d96_7,1).
11061bond(d96,d96_6,d96_8,1).
11062bond(d96,d96_3,d96_9,7).
11063bond(d96,d96_9,d96_10,7).
11064bond(d96,d96_10,d96_11,7).
11065bond(d96,d96_11,d96_12,7).
11066bond(d96,d96_12,d96_4,7).
11067bond(d96,d96_9,d96_13,1).
11068bond(d96,d96_10,d96_14,1).
11069bond(d96,d96_12,d96_15,7).
11070bond(d96,d96_15,d96_16,7).
11071bond(d96,d96_16,d96_17,7).
11072bond(d96,d96_17,d96_5,7).
11073bond(d96,d96_16,d96_18,1).
11074bond(d96,d96_17,d96_19,1).
11075bond(d96,d96_11,d96_20,7).
11076bond(d96,d96_20,d96_21,7).
11077bond(d96,d96_21,d96_22,7).
11078bond(d96,d96_22,d96_15,7).
11079bond(d96,d96_21,d96_23,1).
11080bond(d96,d96_22,d96_24,1).
11081bond(d96,d96_20,d96_25,1).
11082bond(d96,d96_2,d96_26,1).
11083bond(d96,d96_24,d96_27,2).
11084bond(d96,d96_24,d96_28,2).
11085bond(d96,d96_25,d96_29,2).
11086bond(d96,d96_25,d96_30,2).
11087bond(d96,d96_26,d96_31,2).
11088bond(d96,d96_26,d96_32,2).
11089atm(d97,d97_1,c,22,-0.118).
11090atm(d97,d97_2,c,22,-0.118).
11091atm(d97,d97_3,c,22,-0.119).
11092atm(d97,d97_4,c,29,0.011).
11093atm(d97,d97_5,c,22,-0.119).
11094atm(d97,d97_6,c,22,-0.119).
11095atm(d97,d97_7,h,3,0.142).
11096atm(d97,d97_8,h,3,0.142).
11097atm(d97,d97_9,h,3,0.142).
11098atm(d97,d97_10,c,22,-0.119).
11099atm(d97,d97_11,c,22,-0.119).
11100atm(d97,d97_12,c,22,-0.168).
11101atm(d97,d97_13,c,22,-0.119).
11102atm(d97,d97_14,c,22,-0.119).
11103atm(d97,d97_15,c,29,0.011).
11104atm(d97,d97_16,h,3,0.142).
11105atm(d97,d97_17,h,3,0.142).
11106atm(d97,d97_18,h,3,0.142).
11107atm(d97,d97_19,c,10,0.011).
11108atm(d97,d97_20,h,3,0.061).
11109atm(d97,d97_21,h,3,0.061).
11110atm(d97,d97_22,c,10,0.011).
11111atm(d97,d97_23,h,3,0.061).
11112atm(d97,d97_24,h,3,0.061).
11113atm(d97,d97_25,h,3,0.061).
11114atm(d97,d97_26,n,38,0.812).
11115atm(d97,d97_27,o,40,-0.388).
11116atm(d97,d97_28,o,40,-0.388).
11117
11118bond(d97,d97_1,d97_2,7).
11119bond(d97,d97_2,d97_3,7).
11120bond(d97,d97_3,d97_4,7).
11121bond(d97,d97_4,d97_5,7).
11122bond(d97,d97_5,d97_6,7).
11123bond(d97,d97_6,d97_1,7).
11124bond(d97,d97_2,d97_7,1).
11125bond(d97,d97_5,d97_8,1).
11126bond(d97,d97_6,d97_9,1).
11127bond(d97,d97_10,d97_11,7).
11128bond(d97,d97_11,d97_12,7).
11129bond(d97,d97_12,d97_13,7).
11130bond(d97,d97_13,d97_14,7).
11131bond(d97,d97_14,d97_15,7).
11132bond(d97,d97_15,d97_10,7).
11133bond(d97,d97_11,d97_16,1).
11134bond(d97,d97_13,d97_17,1).
11135bond(d97,d97_14,d97_18,1).
11136bond(d97,d97_4,d97_15,1).
11137bond(d97,d97_3,d97_19,1).
11138bond(d97,d97_19,d97_10,1).
11139bond(d97,d97_19,d97_20,1).
11140bond(d97,d97_19,d97_21,1).
11141bond(d97,d97_12,d97_22,1).
11142bond(d97,d97_22,d97_23,1).
11143bond(d97,d97_22,d97_24,1).
11144bond(d97,d97_22,d97_25,1).
11145bond(d97,d97_1,d97_26,1).
11146bond(d97,d97_26,d97_27,2).
11147bond(d97,d97_26,d97_28,2).
11148atm(d98,d98_1,c,22,-0.115).
11149atm(d98,d98_2,c,22,-0.115).
11150atm(d98,d98_3,c,27,0.015).
11151atm(d98,d98_4,c,27,0.015).
11152atm(d98,d98_5,c,22,-0.115).
11153atm(d98,d98_6,c,22,-0.115).
11154atm(d98,d98_7,h,3,0.145).
11155atm(d98,d98_8,h,3,0.145).
11156atm(d98,d98_9,h,3,0.145).
11157atm(d98,d98_10,c,22,-0.115).
11158atm(d98,d98_11,n,35,-0.524).
11159atm(d98,d98_12,c,22,0.266).
11160atm(d98,d98_13,c,22,-0.115).
11161atm(d98,d98_14,h,3,0.145).
11162atm(d98,d98_15,h,3,0.145).
11163atm(d98,d98_16,h,3,0.145).
11164atm(d98,d98_17,n,38,0.816).
11165atm(d98,d98_18,o,40,-0.384).
11166atm(d98,d98_19,o,40,-0.384).
11167
11168bond(d98,d98_1,d98_2,7).
11169bond(d98,d98_2,d98_3,7).
11170bond(d98,d98_3,d98_4,7).
11171bond(d98,d98_4,d98_5,7).
11172bond(d98,d98_5,d98_6,7).
11173bond(d98,d98_6,d98_1,7).
11174bond(d98,d98_1,d98_7,1).
11175bond(d98,d98_2,d98_8,1).
11176bond(d98,d98_6,d98_9,1).
11177bond(d98,d98_3,d98_10,7).
11178bond(d98,d98_10,d98_11,7).
11179bond(d98,d98_11,d98_12,7).
11180bond(d98,d98_12,d98_13,7).
11181bond(d98,d98_13,d98_4,7).
11182bond(d98,d98_10,d98_14,1).
11183bond(d98,d98_12,d98_15,1).
11184bond(d98,d98_13,d98_16,1).
11185bond(d98,d98_5,d98_17,1).
11186bond(d98,d98_18,d98_17,2).
11187bond(d98,d98_17,d98_19,2).
11188atm(d99,d99_1,c,22,-0.116).
11189atm(d99,d99_2,c,22,-0.116).
11190atm(d99,d99_3,c,27,0.014).
11191atm(d99,d99_4,c,27,-0.086).
11192atm(d99,d99_5,c,26,-0.086).
11193atm(d99,d99_6,c,22,-0.116).
11194atm(d99,d99_7,c,22,-0.116).
11195atm(d99,d99_8,c,22,-0.116).
11196atm(d99,d99_9,c,22,-0.116).
11197atm(d99,d99_10,c,26,-0.086).
11198atm(d99,d99_11,c,21,0.014).
11199atm(d99,d99_12,c,21,-0.086).
11200atm(d99,d99_13,n,38,0.813).
11201atm(d99,d99_14,o,40,-0.387).
11202atm(d99,d99_15,o,40,-0.387).
11203atm(d99,d99_16,h,3,0.143).
11204atm(d99,d99_17,h,3,0.143).
11205atm(d99,d99_18,h,3,0.143).
11206atm(d99,d99_19,h,3,0.143).
11207atm(d99,d99_20,h,3,0.144).
11208atm(d99,d99_21,h,3,0.143).
11209atm(d99,d99_22,h,3,0.114).
11210
11211bond(d99,d99_1,d99_2,7).
11212bond(d99,d99_2,d99_3,7).
11213bond(d99,d99_3,d99_4,7).
11214bond(d99,d99_4,d99_5,7).
11215bond(d99,d99_5,d99_6,7).
11216bond(d99,d99_6,d99_1,7).
11217bond(d99,d99_3,d99_7,7).
11218bond(d99,d99_7,d99_8,7).
11219bond(d99,d99_8,d99_9,7).
11220bond(d99,d99_9,d99_10,7).
11221bond(d99,d99_10,d99_4,7).
11222bond(d99,d99_5,d99_11,7).
11223bond(d99,d99_11,d99_12,7).
11224bond(d99,d99_12,d99_10,7).
11225bond(d99,d99_11,d99_13,1).
11226bond(d99,d99_13,d99_14,2).
11227bond(d99,d99_13,d99_15,2).
11228bond(d99,d99_1,d99_16,1).
11229bond(d99,d99_2,d99_17,1).
11230bond(d99,d99_6,d99_18,1).
11231bond(d99,d99_7,d99_19,1).
11232bond(d99,d99_8,d99_20,1).
11233bond(d99,d99_9,d99_21,1).
11234bond(d99,d99_12,d99_22,1).
11235atm(e1,e1_1,c,22,-0.114).
11236atm(e1,e1_2,c,22,-0.114).
11237atm(e1,e1_3,c,27,0.016).
11238atm(e1,e1_4,c,27,-0.084).
11239atm(e1,e1_5,c,22,-0.114).
11240atm(e1,e1_6,c,22,-0.114).
11241atm(e1,e1_7,h,3,0.145).
11242atm(e1,e1_8,h,3,0.145).
11243atm(e1,e1_9,h,3,0.145).
11244atm(e1,e1_10,h,3,0.145).
11245atm(e1,e1_11,c,22,-0.114).
11246atm(e1,e1_12,c,27,0.016).
11247atm(e1,e1_13,c,195,-0.084).
11248atm(e1,e1_14,c,195,-0.084).
11249atm(e1,e1_15,c,22,-0.114).
11250atm(e1,e1_16,c,22,-0.114).
11251atm(e1,e1_17,c,27,0.016).
11252atm(e1,e1_18,c,27,-0.084).
11253atm(e1,e1_19,h,3,0.145).
11254atm(e1,e1_20,h,3,0.145).
11255atm(e1,e1_21,c,27,0.016).
11256atm(e1,e1_22,c,22,-0.114).
11257atm(e1,e1_23,c,22,-0.114).
11258atm(e1,e1_24,h,3,0.145).
11259atm(e1,e1_25,h,3,0.145).
11260atm(e1,e1_26,c,22,-0.114).
11261atm(e1,e1_27,c,22,-0.114).
11262atm(e1,e1_28,c,22,-0.114).
11263atm(e1,e1_29,h,3,0.145).
11264atm(e1,e1_30,h,3,0.145).
11265atm(e1,e1_31,h,3,0.145).
11266atm(e1,e1_32,n,38,0.815).
11267atm(e1,e1_33,o,40,-0.385).
11268atm(e1,e1_34,o,40,-0.385).
11269
11270bond(e1,e1_1,e1_2,7).
11271bond(e1,e1_2,e1_3,7).
11272bond(e1,e1_3,e1_4,7).
11273bond(e1,e1_4,e1_5,7).
11274bond(e1,e1_5,e1_6,7).
11275bond(e1,e1_6,e1_1,7).
11276bond(e1,e1_1,e1_7,1).
11277bond(e1,e1_2,e1_8,1).
11278bond(e1,e1_5,e1_9,1).
11279bond(e1,e1_6,e1_10,1).
11280bond(e1,e1_3,e1_11,7).
11281bond(e1,e1_11,e1_12,7).
11282bond(e1,e1_12,e1_13,7).
11283bond(e1,e1_13,e1_14,7).
11284bond(e1,e1_14,e1_4,7).
11285bond(e1,e1_12,e1_15,7).
11286bond(e1,e1_15,e1_16,7).
11287bond(e1,e1_16,e1_17,7).
11288bond(e1,e1_17,e1_18,7).
11289bond(e1,e1_18,e1_13,7).
11290bond(e1,e1_15,e1_19,1).
11291bond(e1,e1_16,e1_20,1).
11292bond(e1,e1_18,e1_21,7).
11293bond(e1,e1_21,e1_22,7).
11294bond(e1,e1_22,e1_23,7).
11295bond(e1,e1_23,e1_14,7).
11296bond(e1,e1_22,e1_24,1).
11297bond(e1,e1_23,e1_25,1).
11298bond(e1,e1_17,e1_26,7).
11299bond(e1,e1_26,e1_27,7).
11300bond(e1,e1_27,e1_28,7).
11301bond(e1,e1_28,e1_21,7).
11302bond(e1,e1_26,e1_29,1).
11303bond(e1,e1_27,e1_30,1).
11304bond(e1,e1_28,e1_31,1).
11305bond(e1,e1_11,e1_32,1).
11306bond(e1,e1_32,e1_33,2).
11307bond(e1,e1_32,e1_34,2).
11308atm(e10,e10_1,c,22,-0.138).
11309atm(e10,e10_2,c,22,-0.138).
11310atm(e10,e10_3,c,26,-0.048).
11311atm(e10,e10_4,c,26,0.092).
11312atm(e10,e10_5,c,22,-0.138).
11313atm(e10,e10_6,c,22,-0.138).
11314atm(e10,e10_7,n,34,-0.367).
11315atm(e10,e10_8,c,21,0.162).
11316atm(e10,e10_9,c,21,-0.108).
11317atm(e10,e10_10,n,38,0.793).
11318atm(e10,e10_11,o,40,-0.407).
11319atm(e10,e10_12,o,40,-0.407).
11320atm(e10,e10_13,h,3,0.122).
11321atm(e10,e10_14,h,3,0.092).
11322atm(e10,e10_15,h,3,0.122).
11323atm(e10,e10_16,h,3,0.122).
11324atm(e10,e10_17,h,3,0.092).
11325atm(e10,e10_18,h,1,0.292).
11326
11327bond(e10,e10_1,e10_2,7).
11328bond(e10,e10_2,e10_3,7).
11329bond(e10,e10_3,e10_4,7).
11330bond(e10,e10_4,e10_5,7).
11331bond(e10,e10_5,e10_6,7).
11332bond(e10,e10_6,e10_1,7).
11333bond(e10,e10_3,e10_7,7).
11334bond(e10,e10_7,e10_8,7).
11335bond(e10,e10_4,e10_9,7).
11336bond(e10,e10_9,e10_8,7).
11337bond(e10,e10_2,e10_10,1).
11338bond(e10,e10_10,e10_11,2).
11339bond(e10,e10_10,e10_12,2).
11340bond(e10,e10_1,e10_13,1).
11341bond(e10,e10_5,e10_14,1).
11342bond(e10,e10_6,e10_15,1).
11343bond(e10,e10_8,e10_16,1).
11344bond(e10,e10_9,e10_17,1).
11345bond(e10,e10_7,e10_18,1).
11346atm(e11,e11_1,c,22,-0.121).
11347atm(e11,e11_2,c,22,-0.121).
11348atm(e11,e11_3,c,22,0.31).
11349atm(e11,e11_4,c,22,-0.121).
11350atm(e11,e11_5,c,22,-0.121).
11351atm(e11,e11_6,c,22,-0.121).
11352atm(e11,e11_7,h,3,0.139).
11353atm(e11,e11_8,h,3,0.139).
11354atm(e11,e11_9,h,3,0.139).
11355atm(e11,e11_10,n,38,0.81).
11356atm(e11,e11_11,o,40,-0.39).
11357atm(e11,e11_12,o,40,-0.39).
11358atm(e11,e11_13,h,3,0.139).
11359atm(e11,e11_14,f,92,-0.291).
11360
11361bond(e11,e11_1,e11_2,7).
11362bond(e11,e11_2,e11_3,7).
11363bond(e11,e11_3,e11_4,7).
11364bond(e11,e11_4,e11_5,7).
11365bond(e11,e11_5,e11_6,7).
11366bond(e11,e11_6,e11_1,7).
11367bond(e11,e11_1,e11_7,1).
11368bond(e11,e11_2,e11_8,1).
11369bond(e11,e11_6,e11_9,1).
11370bond(e11,e11_5,e11_10,1).
11371bond(e11,e11_10,e11_11,2).
11372bond(e11,e11_10,e11_12,2).
11373bond(e11,e11_4,e11_13,1).
11374bond(e11,e11_3,e11_14,1).
11375atm(e12,e12_1,c,22,-0.114).
11376atm(e12,e12_2,c,22,-0.114).
11377atm(e12,e12_3,c,22,-0.114).
11378atm(e12,e12_4,c,22,-0.114).
11379atm(e12,e12_5,c,22,-0.114).
11380atm(e12,e12_6,c,22,-0.114).
11381atm(e12,e12_7,h,3,0.146).
11382atm(e12,e12_8,h,3,0.146).
11383atm(e12,e12_9,h,3,0.146).
11384atm(e12,e12_10,n,38,0.817).
11385atm(e12,e12_11,o,40,-0.384).
11386atm(e12,e12_12,o,40,-0.384).
11387atm(e12,e12_13,h,3,0.146).
11388atm(e12,e12_14,n,38,0.817).
11389atm(e12,e12_15,o,40,-0.383).
11390atm(e12,e12_16,o,40,-0.383).
11391
11392bond(e12,e12_1,e12_2,7).
11393bond(e12,e12_2,e12_3,7).
11394bond(e12,e12_3,e12_4,7).
11395bond(e12,e12_4,e12_5,7).
11396bond(e12,e12_5,e12_6,7).
11397bond(e12,e12_6,e12_1,7).
11398bond(e12,e12_1,e12_7,1).
11399bond(e12,e12_2,e12_8,1).
11400bond(e12,e12_6,e12_9,1).
11401bond(e12,e12_5,e12_10,1).
11402bond(e12,e12_10,e12_11,2).
11403bond(e12,e12_10,e12_12,2).
11404bond(e12,e12_3,e12_13,1).
11405bond(e12,e12_4,e12_14,1).
11406bond(e12,e12_14,e12_15,2).
11407bond(e12,e12_14,e12_16,2).
11408atm(e13,e13_1,c,22,-0.097).
11409atm(e13,e13_2,c,22,-0.097).
11410atm(e13,e13_3,c,22,-0.097).
11411atm(e13,e13_4,c,22,-0.097).
11412atm(e13,e13_5,c,22,-0.097).
11413atm(e13,e13_6,c,22,-0.097).
11414atm(e13,e13_7,h,3,0.163).
11415atm(e13,e13_8,h,3,0.163).
11416atm(e13,e13_9,h,3,0.163).
11417atm(e13,e13_10,n,38,0.832).
11418atm(e13,e13_11,o,40,-0.368).
11419atm(e13,e13_12,o,40,-0.367).
11420atm(e13,e13_13,h,3,0.163).
11421atm(e13,e13_14,cl,93,-0.167).
11422
11423bond(e13,e13_1,e13_2,7).
11424bond(e13,e13_2,e13_3,7).
11425bond(e13,e13_3,e13_4,7).
11426bond(e13,e13_4,e13_5,7).
11427bond(e13,e13_5,e13_6,7).
11428bond(e13,e13_6,e13_1,7).
11429bond(e13,e13_1,e13_7,1).
11430bond(e13,e13_2,e13_8,1).
11431bond(e13,e13_6,e13_9,1).
11432bond(e13,e13_5,e13_10,1).
11433bond(e13,e13_10,e13_11,2).
11434bond(e13,e13_10,e13_12,2).
11435bond(e13,e13_4,e13_13,1).
11436bond(e13,e13_14,e13_3,1).
11437atm(e14,e14_1,c,22,-0.097).
11438atm(e14,e14_2,c,22,-0.097).
11439atm(e14,e14_3,c,22,-0.097).
11440atm(e14,e14_4,c,22,-0.097).
11441atm(e14,e14_5,c,22,-0.097).
11442atm(e14,e14_6,c,22,-0.097).
11443atm(e14,e14_7,h,3,0.163).
11444atm(e14,e14_8,h,3,0.163).
11445atm(e14,e14_9,n,38,0.832).
11446atm(e14,e14_10,o,40,-0.367).
11447atm(e14,e14_11,o,40,-0.368).
11448atm(e14,e14_12,h,3,0.163).
11449atm(e14,e14_13,cl,93,-0.167).
11450atm(e14,e14_14,h,3,0.163).
11451
11452bond(e14,e14_1,e14_2,7).
11453bond(e14,e14_2,e14_3,7).
11454bond(e14,e14_3,e14_4,7).
11455bond(e14,e14_4,e14_5,7).
11456bond(e14,e14_5,e14_6,7).
11457bond(e14,e14_6,e14_1,7).
11458bond(e14,e14_1,e14_7,1).
11459bond(e14,e14_6,e14_8,1).
11460bond(e14,e14_5,e14_9,1).
11461bond(e14,e14_9,e14_10,2).
11462bond(e14,e14_9,e14_11,2).
11463bond(e14,e14_4,e14_12,1).
11464bond(e14,e14_2,e14_13,1).
11465bond(e14,e14_3,e14_14,1).
11466atm(e15,e15_1,c,22,-0.12).
11467atm(e15,e15_2,c,22,-0.12).
11468atm(e15,e15_3,c,27,0.01).
11469atm(e15,e15_4,c,27,0.01).
11470atm(e15,e15_5,c,22,-0.12).
11471atm(e15,e15_6,c,22,-0.12).
11472atm(e15,e15_7,h,3,0.141).
11473atm(e15,e15_8,h,3,0.141).
11474atm(e15,e15_9,h,3,0.141).
11475atm(e15,e15_10,h,3,0.141).
11476atm(e15,e15_11,c,22,-0.12).
11477atm(e15,e15_12,c,27,0.01).
11478atm(e15,e15_13,c,195,-0.09).
11479atm(e15,e15_14,c,22,-0.12).
11480atm(e15,e15_15,h,3,0.141).
11481atm(e15,e15_16,c,22,-0.12).
11482atm(e15,e15_17,c,22,-0.12).
11483atm(e15,e15_18,c,27,0.01).
11484atm(e15,e15_19,c,195,-0.09).
11485atm(e15,e15_20,h,3,0.14).
11486atm(e15,e15_21,h,3,0.141).
11487atm(e15,e15_22,c,22,-0.12).
11488atm(e15,e15_23,c,22,-0.12).
11489atm(e15,e15_24,c,22,-0.12).
11490atm(e15,e15_25,c,22,-0.12).
11491atm(e15,e15_26,h,3,0.14).
11492atm(e15,e15_27,h,3,0.14).
11493atm(e15,e15_28,h,3,0.14).
11494atm(e15,e15_29,h,3,0.141).
11495atm(e15,e15_30,n,38,0.811).
11496atm(e15,e15_31,o,40,-0.389).
11497atm(e15,e15_32,o,40,-0.389).
11498
11499bond(e15,e15_1,e15_2,7).
11500bond(e15,e15_2,e15_3,7).
11501bond(e15,e15_3,e15_4,7).
11502bond(e15,e15_4,e15_5,7).
11503bond(e15,e15_5,e15_6,7).
11504bond(e15,e15_6,e15_1,7).
11505bond(e15,e15_1,e15_7,1).
11506bond(e15,e15_2,e15_8,1).
11507bond(e15,e15_5,e15_9,1).
11508bond(e15,e15_6,e15_10,1).
11509bond(e15,e15_3,e15_11,7).
11510bond(e15,e15_11,e15_12,7).
11511bond(e15,e15_12,e15_13,7).
11512bond(e15,e15_13,e15_14,7).
11513bond(e15,e15_14,e15_4,7).
11514bond(e15,e15_14,e15_15,1).
11515bond(e15,e15_12,e15_16,7).
11516bond(e15,e15_16,e15_17,7).
11517bond(e15,e15_17,e15_18,7).
11518bond(e15,e15_18,e15_19,7).
11519bond(e15,e15_19,e15_13,7).
11520bond(e15,e15_16,e15_20,1).
11521bond(e15,e15_17,e15_21,1).
11522bond(e15,e15_18,e15_22,7).
11523bond(e15,e15_22,e15_23,7).
11524bond(e15,e15_23,e15_24,7).
11525bond(e15,e15_24,e15_25,7).
11526bond(e15,e15_25,e15_19,7).
11527bond(e15,e15_22,e15_26,1).
11528bond(e15,e15_23,e15_27,1).
11529bond(e15,e15_24,e15_28,1).
11530bond(e15,e15_25,e15_29,1).
11531bond(e15,e15_11,e15_30,1).
11532bond(e15,e15_30,e15_31,2).
11533bond(e15,e15_30,e15_32,2).
11534atm(e16,e16_1,c,22,-0.074).
11535atm(e16,e16_2,c,22,-0.074).
11536atm(e16,e16_3,c,22,-0.074).
11537atm(e16,e16_4,c,22,-0.074).
11538atm(e16,e16_5,c,22,-0.074).
11539atm(e16,e16_6,c,22,-0.074).
11540atm(e16,e16_7,h,3,0.187).
11541atm(e16,e16_8,h,3,0.187).
11542atm(e16,e16_9,n,38,0.857).
11543atm(e16,e16_10,o,40,-0.343).
11544atm(e16,e16_11,o,40,-0.343).
11545atm(e16,e16_12,cl,93,-0.144).
11546atm(e16,e16_13,h,3,0.187).
11547atm(e16,e16_14,cl,93,-0.144).
11548
11549bond(e16,e16_1,e16_2,7).
11550bond(e16,e16_2,e16_3,7).
11551bond(e16,e16_3,e16_4,7).
11552bond(e16,e16_4,e16_5,7).
11553bond(e16,e16_5,e16_6,7).
11554bond(e16,e16_6,e16_1,7).
11555bond(e16,e16_1,e16_7,1).
11556bond(e16,e16_6,e16_8,1).
11557bond(e16,e16_5,e16_9,1).
11558bond(e16,e16_9,e16_10,2).
11559bond(e16,e16_9,e16_11,2).
11560bond(e16,e16_2,e16_12,1).
11561bond(e16,e16_3,e16_13,1).
11562bond(e16,e16_4,e16_14,1).
11563atm(e17,e17_1,c,22,-0.125).
11564atm(e17,e17_2,c,22,-0.125).
11565atm(e17,e17_3,c,27,0.005).
11566atm(e17,e17_4,c,27,0.005).
11567atm(e17,e17_5,c,22,-0.125).
11568atm(e17,e17_6,c,22,-0.125).
11569atm(e17,e17_7,h,3,0.135).
11570atm(e17,e17_8,h,3,0.135).
11571atm(e17,e17_9,h,3,0.135).
11572atm(e17,e17_10,h,3,0.135).
11573atm(e17,e17_11,c,22,-0.125).
11574atm(e17,e17_12,c,27,0.005).
11575atm(e17,e17_13,c,27,0.005).
11576atm(e17,e17_14,c,22,-0.125).
11577atm(e17,e17_15,h,3,0.135).
11578atm(e17,e17_16,c,22,-0.125).
11579atm(e17,e17_17,c,22,-0.125).
11580atm(e17,e17_18,c,22,-0.125).
11581atm(e17,e17_19,c,22,-0.125).
11582atm(e17,e17_20,h,3,0.135).
11583atm(e17,e17_21,h,3,0.135).
11584atm(e17,e17_22,h,3,0.135).
11585atm(e17,e17_23,h,3,0.135).
11586atm(e17,e17_24,n,38,0.805).
11587atm(e17,e17_25,o,40,-0.395).
11588atm(e17,e17_26,o,40,-0.395).
11589
11590bond(e17,e17_1,e17_2,7).
11591bond(e17,e17_2,e17_3,7).
11592bond(e17,e17_3,e17_4,7).
11593bond(e17,e17_4,e17_5,7).
11594bond(e17,e17_5,e17_6,7).
11595bond(e17,e17_6,e17_1,7).
11596bond(e17,e17_1,e17_7,1).
11597bond(e17,e17_2,e17_8,1).
11598bond(e17,e17_5,e17_9,1).
11599bond(e17,e17_6,e17_10,1).
11600bond(e17,e17_3,e17_11,7).
11601bond(e17,e17_11,e17_12,7).
11602bond(e17,e17_12,e17_13,7).
11603bond(e17,e17_13,e17_14,7).
11604bond(e17,e17_14,e17_4,7).
11605bond(e17,e17_11,e17_15,1).
11606bond(e17,e17_12,e17_16,7).
11607bond(e17,e17_16,e17_17,7).
11608bond(e17,e17_17,e17_18,7).
11609bond(e17,e17_18,e17_19,7).
11610bond(e17,e17_19,e17_13,7).
11611bond(e17,e17_16,e17_20,1).
11612bond(e17,e17_17,e17_21,1).
11613bond(e17,e17_18,e17_22,1).
11614bond(e17,e17_19,e17_23,1).
11615bond(e17,e17_14,e17_24,1).
11616bond(e17,e17_24,e17_25,2).
11617bond(e17,e17_24,e17_26,2).
11618atm(e18,e18_1,c,22,-0.074).
11619atm(e18,e18_2,c,22,-0.074).
11620atm(e18,e18_3,c,22,-0.074).
11621atm(e18,e18_4,c,22,-0.074).
11622atm(e18,e18_5,c,22,-0.074).
11623atm(e18,e18_6,c,22,-0.074).
11624atm(e18,e18_7,h,3,0.187).
11625atm(e18,e18_8,h,3,0.187).
11626atm(e18,e18_9,n,38,0.857).
11627atm(e18,e18_10,o,40,-0.343).
11628atm(e18,e18_11,o,40,-0.343).
11629atm(e18,e18_12,cl,93,-0.144).
11630atm(e18,e18_13,h,3,0.187).
11631atm(e18,e18_14,cl,93,-0.144).
11632
11633bond(e18,e18_1,e18_2,7).
11634bond(e18,e18_2,e18_3,7).
11635bond(e18,e18_3,e18_4,7).
11636bond(e18,e18_4,e18_5,7).
11637bond(e18,e18_5,e18_6,7).
11638bond(e18,e18_6,e18_1,7).
11639bond(e18,e18_1,e18_7,1).
11640bond(e18,e18_6,e18_8,1).
11641bond(e18,e18_5,e18_9,1).
11642bond(e18,e18_9,e18_10,2).
11643bond(e18,e18_9,e18_11,2).
11644bond(e18,e18_2,e18_12,1).
11645bond(e18,e18_4,e18_13,1).
11646bond(e18,e18_3,e18_14,1).
11647atm(e19,e19_1,c,22,-0.108).
11648atm(e19,e19_2,c,22,-0.108).
11649atm(e19,e19_3,c,27,0.022).
11650atm(e19,e19_4,c,27,0.022).
11651atm(e19,e19_5,c,22,-0.108).
11652atm(e19,e19_6,c,22,-0.108).
11653atm(e19,e19_7,c,22,-0.108).
11654atm(e19,e19_8,c,22,0.122).
11655atm(e19,e19_9,c,22,-0.108).
11656atm(e19,e19_10,c,22,-0.108).
11657atm(e19,e19_11,c,16,-0.178).
11658atm(e19,e19_12,c,16,-0.178).
11659atm(e19,e19_13,c,10,0.122).
11660atm(e19,e19_14,c,10,0.022).
11661atm(e19,e19_15,n,38,0.822).
11662atm(e19,e19_16,o,40,-0.378).
11663atm(e19,e19_17,o,40,-0.378).
11664atm(e19,e19_18,h,3,0.152).
11665atm(e19,e19_19,h,3,0.152).
11666atm(e19,e19_20,h,3,0.152).
11667atm(e19,e19_21,h,3,0.152).
11668atm(e19,e19_22,h,3,0.152).
11669atm(e19,e19_23,h,3,0.122).
11670atm(e19,e19_24,h,3,0.122).
11671atm(e19,e19_25,o,45,-0.628).
11672atm(e19,e19_26,h,3,0.072).
11673atm(e19,e19_27,o,45,-0.628).
11674atm(e19,e19_28,h,3,0.072).
11675atm(e19,e19_29,h,8,0.422).
11676atm(e19,e19_30,h,8,0.422).
11677
11678bond(e19,e19_1,e19_2,7).
11679bond(e19,e19_2,e19_3,7).
11680bond(e19,e19_3,e19_4,7).
11681bond(e19,e19_4,e19_5,7).
11682bond(e19,e19_5,e19_6,7).
11683bond(e19,e19_6,e19_1,7).
11684bond(e19,e19_3,e19_7,7).
11685bond(e19,e19_7,e19_8,7).
11686bond(e19,e19_8,e19_9,7).
11687bond(e19,e19_9,e19_10,7).
11688bond(e19,e19_10,e19_4,7).
11689bond(e19,e19_8,e19_11,1).
11690bond(e19,e19_11,e19_12,2).
11691bond(e19,e19_12,e19_13,1).
11692bond(e19,e19_13,e19_14,1).
11693bond(e19,e19_14,e19_9,1).
11694bond(e19,e19_10,e19_15,1).
11695bond(e19,e19_15,e19_16,2).
11696bond(e19,e19_15,e19_17,2).
11697bond(e19,e19_1,e19_18,1).
11698bond(e19,e19_2,e19_19,1).
11699bond(e19,e19_5,e19_20,1).
11700bond(e19,e19_6,e19_21,1).
11701bond(e19,e19_7,e19_22,1).
11702bond(e19,e19_11,e19_23,1).
11703bond(e19,e19_12,e19_24,1).
11704bond(e19,e19_14,e19_25,5).
11705bond(e19,e19_14,e19_26,1).
11706bond(e19,e19_13,e19_27,4).
11707bond(e19,e19_13,e19_28,1).
11708bond(e19,e19_25,e19_29,1).
11709bond(e19,e19_27,e19_30,1).
11710atm(e2,e2_1,c,22,-0.115).
11711atm(e2,e2_2,c,22,-0.115).
11712atm(e2,e2_3,c,27,0.015).
11713atm(e2,e2_4,c,27,-0.085).
11714atm(e2,e2_5,c,22,-0.115).
11715atm(e2,e2_6,c,22,-0.115).
11716atm(e2,e2_7,c,22,-0.115).
11717atm(e2,e2_8,c,22,0.015).
11718atm(e2,e2_9,c,195,-0.085).
11719atm(e2,e2_10,c,195,-0.085).
11720atm(e2,e2_11,c,10,-0.085).
11721atm(e2,e2_12,c,10,-0.085).
11722atm(e2,e2_13,c,22,0.015).
11723atm(e2,e2_14,c,27,-0.085).
11724atm(e2,e2_15,c,27,0.015).
11725atm(e2,e2_16,c,22,-0.115).
11726atm(e2,e2_17,c,22,-0.115).
11727atm(e2,e2_18,c,22,-0.115).
11728atm(e2,e2_19,c,22,-0.115).
11729atm(e2,e2_20,c,22,-0.115).
11730atm(e2,e2_21,n,38,0.814).
11731atm(e2,e2_22,o,40,-0.386).
11732atm(e2,e2_23,o,40,-0.386).
11733atm(e2,e2_24,h,3,0.144).
11734atm(e2,e2_25,h,3,0.144).
11735atm(e2,e2_26,h,3,0.144).
11736atm(e2,e2_27,h,3,0.144).
11737atm(e2,e2_28,h,3,0.144).
11738atm(e2,e2_29,h,3,0.145).
11739atm(e2,e2_30,h,3,0.145).
11740atm(e2,e2_31,h,3,0.144).
11741atm(e2,e2_32,h,3,0.144).
11742atm(e2,e2_33,h,3,0.065).
11743atm(e2,e2_34,h,3,0.065).
11744atm(e2,e2_35,h,3,0.065).
11745atm(e2,e2_36,h,3,0.065).
11746
11747bond(e2,e2_1,e2_2,7).
11748bond(e2,e2_2,e2_3,7).
11749bond(e2,e2_3,e2_4,7).
11750bond(e2,e2_4,e2_5,7).
11751bond(e2,e2_5,e2_6,7).
11752bond(e2,e2_6,e2_1,7).
11753bond(e2,e2_3,e2_7,7).
11754bond(e2,e2_7,e2_8,7).
11755bond(e2,e2_8,e2_9,7).
11756bond(e2,e2_9,e2_10,7).
11757bond(e2,e2_10,e2_4,7).
11758bond(e2,e2_8,e2_11,1).
11759bond(e2,e2_11,e2_12,1).
11760bond(e2,e2_12,e2_13,1).
11761bond(e2,e2_13,e2_14,7).
11762bond(e2,e2_14,e2_9,7).
11763bond(e2,e2_14,e2_15,7).
11764bond(e2,e2_15,e2_16,7).
11765bond(e2,e2_16,e2_17,7).
11766bond(e2,e2_17,e2_10,7).
11767bond(e2,e2_13,e2_18,7).
11768bond(e2,e2_18,e2_19,7).
11769bond(e2,e2_19,e2_20,7).
11770bond(e2,e2_20,e2_15,7).
11771bond(e2,e2_7,e2_21,1).
11772bond(e2,e2_21,e2_22,2).
11773bond(e2,e2_21,e2_23,2).
11774bond(e2,e2_1,e2_24,1).
11775bond(e2,e2_2,e2_25,1).
11776bond(e2,e2_5,e2_26,1).
11777bond(e2,e2_6,e2_27,1).
11778bond(e2,e2_16,e2_28,1).
11779bond(e2,e2_17,e2_29,1).
11780bond(e2,e2_18,e2_30,1).
11781bond(e2,e2_19,e2_31,1).
11782bond(e2,e2_20,e2_32,1).
11783bond(e2,e2_11,e2_33,1).
11784bond(e2,e2_11,e2_34,1).
11785bond(e2,e2_12,e2_35,1).
11786bond(e2,e2_12,e2_36,1).
11787atm(e20,e20_1,c,22,-0.108).
11788atm(e20,e20_2,c,22,-0.108).
11789atm(e20,e20_3,c,27,0.022).
11790atm(e20,e20_4,c,27,0.022).
11791atm(e20,e20_5,c,22,-0.108).
11792atm(e20,e20_6,c,22,-0.108).
11793atm(e20,e20_7,c,22,-0.108).
11794atm(e20,e20_8,c,22,-0.108).
11795atm(e20,e20_9,c,22,0.122).
11796atm(e20,e20_10,c,22,-0.108).
11797atm(e20,e20_11,c,10,0.022).
11798atm(e20,e20_12,c,10,0.122).
11799atm(e20,e20_13,c,16,-0.178).
11800atm(e20,e20_14,c,16,-0.178).
11801atm(e20,e20_15,n,38,0.822).
11802atm(e20,e20_16,o,40,-0.378).
11803atm(e20,e20_17,o,40,-0.378).
11804atm(e20,e20_18,h,3,0.152).
11805atm(e20,e20_19,h,3,0.152).
11806atm(e20,e20_20,h,3,0.152).
11807atm(e20,e20_21,h,3,0.152).
11808atm(e20,e20_22,h,3,0.152).
11809atm(e20,e20_23,h,3,0.122).
11810atm(e20,e20_24,h,3,0.122).
11811atm(e20,e20_25,o,45,-0.628).
11812atm(e20,e20_26,h,3,0.072).
11813atm(e20,e20_27,o,45,-0.628).
11814atm(e20,e20_28,h,3,0.072).
11815atm(e20,e20_29,h,8,0.422).
11816atm(e20,e20_30,h,8,0.422).
11817
11818bond(e20,e20_1,e20_2,7).
11819bond(e20,e20_2,e20_3,7).
11820bond(e20,e20_3,e20_4,7).
11821bond(e20,e20_4,e20_5,7).
11822bond(e20,e20_5,e20_6,7).
11823bond(e20,e20_6,e20_1,7).
11824bond(e20,e20_3,e20_7,7).
11825bond(e20,e20_7,e20_8,7).
11826bond(e20,e20_8,e20_9,7).
11827bond(e20,e20_9,e20_10,7).
11828bond(e20,e20_10,e20_4,7).
11829bond(e20,e20_8,e20_11,1).
11830bond(e20,e20_11,e20_12,1).
11831bond(e20,e20_12,e20_13,1).
11832bond(e20,e20_13,e20_14,2).
11833bond(e20,e20_14,e20_9,1).
11834bond(e20,e20_10,e20_15,1).
11835bond(e20,e20_15,e20_16,2).
11836bond(e20,e20_15,e20_17,2).
11837bond(e20,e20_1,e20_18,1).
11838bond(e20,e20_2,e20_19,1).
11839bond(e20,e20_5,e20_20,1).
11840bond(e20,e20_6,e20_21,1).
11841bond(e20,e20_7,e20_22,1).
11842bond(e20,e20_14,e20_23,1).
11843bond(e20,e20_13,e20_24,1).
11844bond(e20,e20_12,e20_25,5).
11845bond(e20,e20_12,e20_26,1).
11846bond(e20,e20_11,e20_27,4).
11847bond(e20,e20_11,e20_28,1).
11848bond(e20,e20_27,e20_29,1).
11849bond(e20,e20_25,e20_30,1).
11850atm(e21,e21_1,c,10,-0.091).
11851atm(e21,e21_2,c,10,-0.091).
11852atm(e21,e21_3,c,22,0.009).
11853atm(e21,e21_4,c,22,0.009).
11854atm(e21,e21_5,c,10,-0.091).
11855atm(e21,e21_6,c,10,-0.091).
11856atm(e21,e21_7,c,22,-0.122).
11857atm(e21,e21_8,c,27,0.009).
11858atm(e21,e21_9,c,27,-0.091).
11859atm(e21,e21_10,c,27,0.009).
11860atm(e21,e21_11,c,22,-0.121).
11861atm(e21,e21_12,c,22,-0.122).
11862atm(e21,e21_13,c,27,0.009).
11863atm(e21,e21_14,c,27,-0.091).
11864atm(e21,e21_15,c,27,0.009).
11865atm(e21,e21_16,c,22,-0.121).
11866atm(e21,e21_17,c,22,-0.121).
11867atm(e21,e21_18,c,22,-0.121).
11868atm(e21,e21_19,c,22,-0.121).
11869atm(e21,e21_20,c,22,-0.121).
11870atm(e21,e21_21,n,38,0.808).
11871atm(e21,e21_22,o,40,-0.392).
11872atm(e21,e21_23,o,40,-0.392).
11873atm(e21,e21_24,h,3,0.059).
11874atm(e21,e21_25,h,3,0.059).
11875atm(e21,e21_26,h,3,0.059).
11876atm(e21,e21_27,h,3,0.059).
11877atm(e21,e21_28,h,3,0.138).
11878atm(e21,e21_29,h,3,0.138).
11879atm(e21,e21_30,h,3,0.138).
11880atm(e21,e21_31,h,3,0.138).
11881atm(e21,e21_32,h,3,0.138).
11882atm(e21,e21_33,h,3,0.138).
11883atm(e21,e21_34,h,3,0.138).
11884atm(e21,e21_35,h,3,0.059).
11885atm(e21,e21_36,h,3,0.059).
11886atm(e21,e21_37,h,3,0.059).
11887atm(e21,e21_38,h,3,0.059).
11888
11889bond(e21,e21_1,e21_2,1).
11890bond(e21,e21_2,e21_3,1).
11891bond(e21,e21_3,e21_4,7).
11892bond(e21,e21_4,e21_5,1).
11893bond(e21,e21_5,e21_6,1).
11894bond(e21,e21_6,e21_1,1).
11895bond(e21,e21_3,e21_7,7).
11896bond(e21,e21_7,e21_8,7).
11897bond(e21,e21_8,e21_9,7).
11898bond(e21,e21_9,e21_10,7).
11899bond(e21,e21_10,e21_4,7).
11900bond(e21,e21_8,e21_11,7).
11901bond(e21,e21_11,e21_12,7).
11902bond(e21,e21_12,e21_13,7).
11903bond(e21,e21_13,e21_14,7).
11904bond(e21,e21_14,e21_9,7).
11905bond(e21,e21_14,e21_15,7).
11906bond(e21,e21_15,e21_16,7).
11907bond(e21,e21_16,e21_17,7).
11908bond(e21,e21_17,e21_10,7).
11909bond(e21,e21_13,e21_18,7).
11910bond(e21,e21_18,e21_19,7).
11911bond(e21,e21_19,e21_20,7).
11912bond(e21,e21_20,e21_15,7).
11913bond(e21,e21_7,e21_21,1).
11914bond(e21,e21_21,e21_22,2).
11915bond(e21,e21_21,e21_23,2).
11916bond(e21,e21_5,e21_24,1).
11917bond(e21,e21_5,e21_25,1).
11918bond(e21,e21_6,e21_26,1).
11919bond(e21,e21_6,e21_27,1).
11920bond(e21,e21_11,e21_28,1).
11921bond(e21,e21_12,e21_29,1).
11922bond(e21,e21_16,e21_30,1).
11923bond(e21,e21_17,e21_31,1).
11924bond(e21,e21_18,e21_32,1).
11925bond(e21,e21_19,e21_33,1).
11926bond(e21,e21_20,e21_34,1).
11927bond(e21,e21_1,e21_35,1).
11928bond(e21,e21_1,e21_36,1).
11929bond(e21,e21_2,e21_37,1).
11930bond(e21,e21_2,e21_38,1).
11931atm(e22,e22_1,c,10,0.124).
11932atm(e22,e22_2,c,10,0.024).
11933atm(e22,e22_3,c,22,-0.106).
11934atm(e22,e22_4,c,22,0.124).
11935atm(e22,e22_5,c,16,-0.176).
11936atm(e22,e22_6,c,16,-0.176).
11937atm(e22,e22_7,c,22,-0.106).
11938atm(e22,e22_8,c,27,0.024).
11939atm(e22,e22_9,c,195,-0.076).
11940atm(e22,e22_10,c,22,-0.106).
11941atm(e22,e22_11,c,22,-0.106).
11942atm(e22,e22_12,c,22,-0.106).
11943atm(e22,e22_13,c,27,0.024).
11944atm(e22,e22_14,c,195,-0.076).
11945atm(e22,e22_15,c,22,-0.106).
11946atm(e22,e22_16,c,22,-0.106).
11947atm(e22,e22_17,c,22,-0.106).
11948atm(e22,e22_18,c,22,-0.106).
11949atm(e22,e22_19,n,38,0.823).
11950atm(e22,e22_20,o,40,-0.376).
11951atm(e22,e22_21,o,40,-0.376).
11952atm(e22,e22_22,h,3,0.154).
11953atm(e22,e22_23,h,3,0.154).
11954atm(e22,e22_24,h,3,0.154).
11955atm(e22,e22_25,h,3,0.154).
11956atm(e22,e22_26,h,3,0.154).
11957atm(e22,e22_27,h,3,0.154).
11958atm(e22,e22_28,h,3,0.154).
11959atm(e22,e22_29,h,3,0.124).
11960atm(e22,e22_30,h,3,0.124).
11961atm(e22,e22_31,o,45,-0.627).
11962atm(e22,e22_32,h,3,0.074).
11963atm(e22,e22_33,o,45,-0.627).
11964atm(e22,e22_34,h,3,0.074).
11965atm(e22,e22_35,h,8,0.423).
11966atm(e22,e22_36,h,8,0.424).
11967
11968bond(e22,e22_1,e22_2,1).
11969bond(e22,e22_2,e22_3,1).
11970bond(e22,e22_3,e22_4,7).
11971bond(e22,e22_4,e22_5,1).
11972bond(e22,e22_5,e22_6,2).
11973bond(e22,e22_6,e22_1,1).
11974bond(e22,e22_3,e22_7,7).
11975bond(e22,e22_7,e22_8,7).
11976bond(e22,e22_8,e22_9,7).
11977bond(e22,e22_9,e22_10,7).
11978bond(e22,e22_10,e22_4,7).
11979bond(e22,e22_8,e22_11,7).
11980bond(e22,e22_11,e22_12,7).
11981bond(e22,e22_12,e22_13,7).
11982bond(e22,e22_13,e22_14,7).
11983bond(e22,e22_14,e22_9,7).
11984bond(e22,e22_13,e22_15,7).
11985bond(e22,e22_15,e22_16,7).
11986bond(e22,e22_16,e22_17,7).
11987bond(e22,e22_17,e22_18,7).
11988bond(e22,e22_18,e22_14,7).
11989bond(e22,e22_7,e22_19,1).
11990bond(e22,e22_19,e22_20,2).
11991bond(e22,e22_19,e22_21,2).
11992bond(e22,e22_10,e22_22,1).
11993bond(e22,e22_11,e22_23,1).
11994bond(e22,e22_12,e22_24,1).
11995bond(e22,e22_15,e22_25,1).
11996bond(e22,e22_16,e22_26,1).
11997bond(e22,e22_17,e22_27,1).
11998bond(e22,e22_18,e22_28,1).
11999bond(e22,e22_5,e22_29,1).
12000bond(e22,e22_6,e22_30,1).
12001bond(e22,e22_1,e22_31,5).
12002bond(e22,e22_1,e22_32,1).
12003bond(e22,e22_2,e22_33,4).
12004bond(e22,e22_2,e22_34,1).
12005bond(e22,e22_31,e22_35,1).
12006bond(e22,e22_33,e22_36,1).
12007atm(e23,e23_1,c,22,-0.112).
12008atm(e23,e23_2,c,22,-0.112).
12009atm(e23,e23_3,c,27,0.018).
12010atm(e23,e23_4,c,27,0.018).
12011atm(e23,e23_5,c,22,-0.112).
12012atm(e23,e23_6,c,22,-0.112).
12013atm(e23,e23_7,c,22,-0.112).
12014atm(e23,e23_8,c,27,0.018).
12015atm(e23,e23_9,c,27,0.018).
12016atm(e23,e23_10,c,22,-0.112).
12017atm(e23,e23_11,c,22,-0.112).
12018atm(e23,e23_12,c,22,-0.112).
12019atm(e23,e23_13,c,22,-0.112).
12020atm(e23,e23_14,c,22,0.118).
12021atm(e23,e23_15,c,10,0.018).
12022atm(e23,e23_16,c,10,0.118).
12023atm(e23,e23_17,c,16,-0.181).
12024atm(e23,e23_18,c,16,-0.181).
12025atm(e23,e23_19,n,38,0.819).
12026atm(e23,e23_20,o,40,-0.381).
12027atm(e23,e23_21,o,40,-0.381).
12028atm(e23,e23_22,h,3,0.148).
12029atm(e23,e23_23,h,3,0.148).
12030atm(e23,e23_24,h,3,0.149).
12031atm(e23,e23_25,h,3,0.149).
12032atm(e23,e23_26,h,3,0.149).
12033atm(e23,e23_27,h,3,0.148).
12034atm(e23,e23_28,h,3,0.148).
12035atm(e23,e23_29,o,45,-0.631).
12036atm(e23,e23_30,h,3,0.068).
12037atm(e23,e23_31,o,45,-0.631).
12038atm(e23,e23_32,h,3,0.068).
12039atm(e23,e23_33,h,8,0.419).
12040atm(e23,e23_34,h,8,0.419).
12041atm(e23,e23_35,h,3,0.118).
12042atm(e23,e23_36,h,3,0.118).
12043
12044bond(e23,e23_1,e23_2,7).
12045bond(e23,e23_2,e23_3,7).
12046bond(e23,e23_3,e23_4,7).
12047bond(e23,e23_4,e23_5,7).
12048bond(e23,e23_5,e23_6,7).
12049bond(e23,e23_6,e23_1,7).
12050bond(e23,e23_3,e23_7,7).
12051bond(e23,e23_7,e23_8,7).
12052bond(e23,e23_8,e23_9,7).
12053bond(e23,e23_9,e23_10,7).
12054bond(e23,e23_10,e23_4,7).
12055bond(e23,e23_8,e23_11,7).
12056bond(e23,e23_11,e23_12,7).
12057bond(e23,e23_12,e23_13,7).
12058bond(e23,e23_13,e23_14,7).
12059bond(e23,e23_14,e23_9,7).
12060bond(e23,e23_13,e23_15,1).
12061bond(e23,e23_15,e23_16,1).
12062bond(e23,e23_16,e23_17,1).
12063bond(e23,e23_17,e23_18,2).
12064bond(e23,e23_18,e23_14,1).
12065bond(e23,e23_7,e23_19,1).
12066bond(e23,e23_19,e23_20,2).
12067bond(e23,e23_19,e23_21,2).
12068bond(e23,e23_1,e23_22,1).
12069bond(e23,e23_2,e23_23,1).
12070bond(e23,e23_5,e23_24,1).
12071bond(e23,e23_6,e23_25,1).
12072bond(e23,e23_10,e23_26,1).
12073bond(e23,e23_11,e23_27,1).
12074bond(e23,e23_12,e23_28,1).
12075bond(e23,e23_16,e23_29,5).
12076bond(e23,e23_16,e23_30,1).
12077bond(e23,e23_15,e23_31,4).
12078bond(e23,e23_15,e23_32,1).
12079bond(e23,e23_29,e23_33,1).
12080bond(e23,e23_31,e23_34,1).
12081bond(e23,e23_17,e23_35,1).
12082bond(e23,e23_18,e23_36,1).
12083atm(e24,e24_1,c,194,0.004).
12084atm(e24,e24_2,c,194,0.004).
12085atm(e24,e24_3,c,29,0.004).
12086atm(e24,e24_4,c,194,0.004).
12087atm(e24,e24_5,c,29,0.004).
12088atm(e24,e24_6,c,29,0.004).
12089atm(e24,e24_7,c,22,-0.126).
12090atm(e24,e24_8,c,22,-0.126).
12091atm(e24,e24_9,c,22,-0.126).
12092atm(e24,e24_10,c,22,-0.126).
12093atm(e24,e24_11,h,3,0.134).
12094atm(e24,e24_12,h,3,0.134).
12095atm(e24,e24_13,h,3,0.134).
12096atm(e24,e24_14,c,22,-0.126).
12097atm(e24,e24_15,c,22,-0.126).
12098atm(e24,e24_16,c,22,-0.126).
12099atm(e24,e24_17,c,22,-0.126).
12100atm(e24,e24_18,h,3,0.134).
12101atm(e24,e24_19,h,3,0.134).
12102atm(e24,e24_20,h,3,0.134).
12103atm(e24,e24_21,h,3,0.134).
12104atm(e24,e24_22,c,22,-0.126).
12105atm(e24,e24_23,c,22,-0.126).
12106atm(e24,e24_24,c,22,-0.126).
12107atm(e24,e24_25,c,22,-0.126).
12108atm(e24,e24_26,h,3,0.134).
12109atm(e24,e24_27,h,3,0.134).
12110atm(e24,e24_28,h,3,0.134).
12111atm(e24,e24_29,h,3,0.134).
12112atm(e24,e24_30,n,38,0.805).
12113atm(e24,e24_31,o,40,-0.395).
12114atm(e24,e24_32,o,40,-0.396).
12115
12116bond(e24,e24_1,e24_2,1).
12117bond(e24,e24_2,e24_3,7).
12118bond(e24,e24_3,e24_4,1).
12119bond(e24,e24_4,e24_5,7).
12120bond(e24,e24_5,e24_6,1).
12121bond(e24,e24_6,e24_1,7).
12122bond(e24,e24_4,e24_7,7).
12123bond(e24,e24_7,e24_8,7).
12124bond(e24,e24_8,e24_9,7).
12125bond(e24,e24_9,e24_10,7).
12126bond(e24,e24_10,e24_5,7).
12127bond(e24,e24_7,e24_11,1).
12128bond(e24,e24_8,e24_12,1).
12129bond(e24,e24_9,e24_13,1).
12130bond(e24,e24_6,e24_14,7).
12131bond(e24,e24_14,e24_15,7).
12132bond(e24,e24_15,e24_16,7).
12133bond(e24,e24_16,e24_17,7).
12134bond(e24,e24_17,e24_1,7).
12135bond(e24,e24_14,e24_18,1).
12136bond(e24,e24_15,e24_19,1).
12137bond(e24,e24_16,e24_20,1).
12138bond(e24,e24_17,e24_21,1).
12139bond(e24,e24_2,e24_22,7).
12140bond(e24,e24_22,e24_23,7).
12141bond(e24,e24_23,e24_24,7).
12142bond(e24,e24_24,e24_25,7).
12143bond(e24,e24_25,e24_3,7).
12144bond(e24,e24_22,e24_26,1).
12145bond(e24,e24_23,e24_27,1).
12146bond(e24,e24_24,e24_28,1).
12147bond(e24,e24_25,e24_29,1).
12148bond(e24,e24_10,e24_30,1).
12149bond(e24,e24_30,e24_31,2).
12150bond(e24,e24_30,e24_32,2).
12151atm(e25,e25_1,c,10,-0.083).
12152atm(e25,e25_2,c,10,0.017).
12153atm(e25,e25_3,c,22,-0.113).
12154atm(e25,e25_4,c,22,0.017).
12155atm(e25,e25_5,c,10,-0.083).
12156atm(e25,e25_6,c,10,-0.083).
12157atm(e25,e25_7,c,22,-0.113).
12158atm(e25,e25_8,c,27,0.017).
12159atm(e25,e25_9,c,27,-0.083).
12160atm(e25,e25_10,c,27,0.017).
12161atm(e25,e25_11,c,22,-0.113).
12162atm(e25,e25_12,c,22,-0.113).
12163atm(e25,e25_13,c,27,0.017).
12164atm(e25,e25_14,c,27,-0.083).
12165atm(e25,e25_15,c,27,0.017).
12166atm(e25,e25_16,c,22,-0.113).
12167atm(e25,e25_17,c,22,-0.113).
12168atm(e25,e25_18,c,22,-0.113).
12169atm(e25,e25_19,c,22,-0.113).
12170atm(e25,e25_20,c,22,-0.113).
12171atm(e25,e25_21,n,38,0.816).
12172atm(e25,e25_22,o,40,-0.383).
12173atm(e25,e25_23,o,40,-0.383).
12174atm(e25,e25_24,h,3,0.067).
12175atm(e25,e25_25,h,3,0.067).
12176atm(e25,e25_26,h,3,0.067).
12177atm(e25,e25_27,h,3,0.067).
12178atm(e25,e25_28,h,3,0.147).
12179atm(e25,e25_29,h,3,0.147).
12180atm(e25,e25_30,h,3,0.147).
12181atm(e25,e25_31,h,3,0.147).
12182atm(e25,e25_32,h,3,0.147).
12183atm(e25,e25_33,h,3,0.147).
12184atm(e25,e25_34,h,3,0.147).
12185atm(e25,e25_35,h,3,0.067).
12186atm(e25,e25_36,h,3,0.067).
12187atm(e25,e25_37,o,45,-0.634).
12188atm(e25,e25_38,h,3,0.067).
12189atm(e25,e25_39,h,8,0.416).
12190
12191bond(e25,e25_1,e25_2,1).
12192bond(e25,e25_2,e25_3,1).
12193bond(e25,e25_3,e25_4,7).
12194bond(e25,e25_4,e25_5,1).
12195bond(e25,e25_5,e25_6,1).
12196bond(e25,e25_6,e25_1,1).
12197bond(e25,e25_3,e25_7,7).
12198bond(e25,e25_7,e25_8,7).
12199bond(e25,e25_8,e25_9,7).
12200bond(e25,e25_9,e25_10,7).
12201bond(e25,e25_10,e25_4,7).
12202bond(e25,e25_8,e25_11,7).
12203bond(e25,e25_11,e25_12,7).
12204bond(e25,e25_12,e25_13,7).
12205bond(e25,e25_13,e25_14,7).
12206bond(e25,e25_14,e25_9,7).
12207bond(e25,e25_14,e25_15,7).
12208bond(e25,e25_15,e25_16,7).
12209bond(e25,e25_16,e25_17,7).
12210bond(e25,e25_17,e25_10,7).
12211bond(e25,e25_13,e25_18,7).
12212bond(e25,e25_18,e25_19,7).
12213bond(e25,e25_19,e25_20,7).
12214bond(e25,e25_20,e25_15,7).
12215bond(e25,e25_7,e25_21,1).
12216bond(e25,e25_21,e25_22,2).
12217bond(e25,e25_21,e25_23,2).
12218bond(e25,e25_5,e25_24,1).
12219bond(e25,e25_5,e25_25,1).
12220bond(e25,e25_6,e25_26,1).
12221bond(e25,e25_6,e25_27,1).
12222bond(e25,e25_11,e25_28,1).
12223bond(e25,e25_12,e25_29,1).
12224bond(e25,e25_16,e25_30,1).
12225bond(e25,e25_17,e25_31,1).
12226bond(e25,e25_18,e25_32,1).
12227bond(e25,e25_19,e25_33,1).
12228bond(e25,e25_20,e25_34,1).
12229bond(e25,e25_1,e25_35,1).
12230bond(e25,e25_1,e25_36,1).
12231bond(e25,e25_2,e25_37,1).
12232bond(e25,e25_2,e25_38,1).
12233bond(e25,e25_37,e25_39,1).
12234atm(e26,e26_1,c,22,-0.12).
12235atm(e26,e26_2,c,22,-0.12).
12236atm(e26,e26_3,c,27,0.01).
12237atm(e26,e26_4,c,27,0.01).
12238atm(e26,e26_5,c,22,0.26).
12239atm(e26,e26_6,c,22,-0.12).
12240atm(e26,e26_7,c,22,-0.12).
12241atm(e26,e26_8,c,27,0.01).
12242atm(e26,e26_9,c,195,-0.09).
12243atm(e26,e26_10,c,22,-0.12).
12244atm(e26,e26_11,c,22,-0.12).
12245atm(e26,e26_12,c,22,-0.12).
12246atm(e26,e26_13,c,27,0.01).
12247atm(e26,e26_14,c,195,-0.09).
12248atm(e26,e26_15,c,22,-0.12).
12249atm(e26,e26_16,c,22,-0.12).
12250atm(e26,e26_17,c,22,-0.12).
12251atm(e26,e26_18,c,22,-0.12).
12252atm(e26,e26_19,o,45,-0.64).
12253atm(e26,e26_20,h,3,0.14).
12254atm(e26,e26_21,h,3,0.14).
12255atm(e26,e26_22,h,3,0.14).
12256atm(e26,e26_23,h,3,0.14).
12257atm(e26,e26_24,h,3,0.14).
12258atm(e26,e26_25,h,3,0.14).
12259atm(e26,e26_26,h,3,0.14).
12260atm(e26,e26_27,h,3,0.14).
12261atm(e26,e26_28,h,3,0.14).
12262atm(e26,e26_29,h,3,0.14).
12263atm(e26,e26_30,h,8,0.41).
12264atm(e26,e26_31,n,38,0.81).
12265atm(e26,e26_32,o,40,-0.39).
12266atm(e26,e26_33,o,40,-0.39).
12267
12268bond(e26,e26_1,e26_2,7).
12269bond(e26,e26_2,e26_3,7).
12270bond(e26,e26_3,e26_4,7).
12271bond(e26,e26_4,e26_5,7).
12272bond(e26,e26_5,e26_6,7).
12273bond(e26,e26_6,e26_1,7).
12274bond(e26,e26_3,e26_7,7).
12275bond(e26,e26_7,e26_8,7).
12276bond(e26,e26_8,e26_9,7).
12277bond(e26,e26_9,e26_10,7).
12278bond(e26,e26_10,e26_4,7).
12279bond(e26,e26_8,e26_11,7).
12280bond(e26,e26_11,e26_12,7).
12281bond(e26,e26_12,e26_13,7).
12282bond(e26,e26_13,e26_14,7).
12283bond(e26,e26_14,e26_9,7).
12284bond(e26,e26_13,e26_15,7).
12285bond(e26,e26_15,e26_16,7).
12286bond(e26,e26_16,e26_17,7).
12287bond(e26,e26_17,e26_18,7).
12288bond(e26,e26_18,e26_14,7).
12289bond(e26,e26_5,e26_19,1).
12290bond(e26,e26_1,e26_20,1).
12291bond(e26,e26_2,e26_21,1).
12292bond(e26,e26_6,e26_22,1).
12293bond(e26,e26_10,e26_23,1).
12294bond(e26,e26_11,e26_24,1).
12295bond(e26,e26_12,e26_25,1).
12296bond(e26,e26_15,e26_26,1).
12297bond(e26,e26_16,e26_27,1).
12298bond(e26,e26_17,e26_28,1).
12299bond(e26,e26_18,e26_29,1).
12300bond(e26,e26_19,e26_30,1).
12301bond(e26,e26_7,e26_31,1).
12302bond(e26,e26_31,e26_32,2).
12303bond(e26,e26_31,e26_33,2).
12304atm(e27,e27_1,c,22,-0.12).
12305atm(e27,e27_2,c,22,-0.12).
12306atm(e27,e27_3,c,29,0.01).
12307atm(e27,e27_4,c,27,-0.09).
12308atm(e27,e27_5,c,27,0.01).
12309atm(e27,e27_6,c,22,-0.12).
12310atm(e27,e27_7,h,3,0.139).
12311atm(e27,e27_8,h,3,0.139).
12312atm(e27,e27_9,h,3,0.139).
12313atm(e27,e27_10,c,29,0.01).
12314atm(e27,e27_11,c,22,-0.12).
12315atm(e27,e27_12,c,22,-0.12).
12316atm(e27,e27_13,c,22,-0.12).
12317atm(e27,e27_14,h,3,0.14).
12318atm(e27,e27_15,h,3,0.139).
12319atm(e27,e27_16,h,3,0.139).
12320atm(e27,e27_17,c,29,0.01).
12321atm(e27,e27_18,c,27,-0.09).
12322atm(e27,e27_19,c,29,0.01).
12323atm(e27,e27_20,c,27,0.01).
12324atm(e27,e27_21,c,22,-0.12).
12325atm(e27,e27_22,c,22,-0.12).
12326atm(e27,e27_23,c,22,-0.12).
12327atm(e27,e27_24,h,3,0.14).
12328atm(e27,e27_25,h,3,0.14).
12329atm(e27,e27_26,h,3,0.139).
12330atm(e27,e27_27,c,22,-0.12).
12331atm(e27,e27_28,c,22,-0.12).
12332atm(e27,e27_29,c,22,-0.12).
12333atm(e27,e27_30,h,3,0.14).
12334atm(e27,e27_31,h,3,0.139).
12335atm(e27,e27_32,n,38,0.809).
12336atm(e27,e27_33,o,40,-0.391).
12337atm(e27,e27_34,o,40,-0.391).
12338
12339bond(e27,e27_1,e27_2,7).
12340bond(e27,e27_2,e27_3,7).
12341bond(e27,e27_3,e27_4,7).
12342bond(e27,e27_4,e27_5,7).
12343bond(e27,e27_5,e27_6,7).
12344bond(e27,e27_6,e27_1,7).
12345bond(e27,e27_1,e27_7,1).
12346bond(e27,e27_2,e27_8,1).
12347bond(e27,e27_6,e27_9,1).
12348bond(e27,e27_4,e27_10,7).
12349bond(e27,e27_10,e27_11,7).
12350bond(e27,e27_11,e27_12,7).
12351bond(e27,e27_12,e27_13,7).
12352bond(e27,e27_13,e27_5,7).
12353bond(e27,e27_11,e27_14,1).
12354bond(e27,e27_12,e27_15,1).
12355bond(e27,e27_13,e27_16,1).
12356bond(e27,e27_3,e27_17,1).
12357bond(e27,e27_17,e27_18,7).
12358bond(e27,e27_18,e27_19,7).
12359bond(e27,e27_19,e27_10,1).
12360bond(e27,e27_18,e27_20,7).
12361bond(e27,e27_20,e27_21,7).
12362bond(e27,e27_21,e27_22,7).
12363bond(e27,e27_22,e27_23,7).
12364bond(e27,e27_23,e27_19,7).
12365bond(e27,e27_21,e27_24,1).
12366bond(e27,e27_22,e27_25,1).
12367bond(e27,e27_23,e27_26,1).
12368bond(e27,e27_17,e27_27,7).
12369bond(e27,e27_27,e27_28,7).
12370bond(e27,e27_28,e27_29,7).
12371bond(e27,e27_29,e27_20,7).
12372bond(e27,e27_27,e27_30,1).
12373bond(e27,e27_28,e27_31,1).
12374bond(e27,e27_29,e27_32,1).
12375bond(e27,e27_32,e27_33,2).
12376bond(e27,e27_32,e27_34,2).
12377atm(e3,e3_1,c,22,-0.127).
12378atm(e3,e3_2,c,22,-0.126).
12379atm(e3,e3_3,c,22,0.204).
12380atm(e3,e3_4,c,22,0.003).
12381atm(e3,e3_5,c,22,-0.126).
12382atm(e3,e3_6,c,22,-0.126).
12383atm(e3,e3_7,h,3,0.134).
12384atm(e3,e3_8,h,3,0.134).
12385atm(e3,e3_9,h,3,0.134).
12386atm(e3,e3_10,n,32,-0.396).
12387atm(e3,e3_11,c,10,0.003).
12388atm(e3,e3_12,c,10,-0.097).
12389atm(e3,e3_13,c,10,0.003).
12390atm(e3,e3_14,h,3,0.053).
12391atm(e3,e3_15,h,3,0.053).
12392atm(e3,e3_16,h,3,0.053).
12393atm(e3,e3_17,n,38,0.804).
12394atm(e3,e3_18,o,40,-0.396).
12395atm(e3,e3_19,o,40,-0.396).
12396atm(e3,e3_20,h,3,0.053).
12397atm(e3,e3_21,h,3,0.053).
12398atm(e3,e3_22,h,3,0.053).
12399atm(e3,e3_23,h,3,0.053).
12400
12401bond(e3,e3_1,e3_2,7).
12402bond(e3,e3_2,e3_3,7).
12403bond(e3,e3_3,e3_4,7).
12404bond(e3,e3_4,e3_5,7).
12405bond(e3,e3_5,e3_6,7).
12406bond(e3,e3_6,e3_1,7).
12407bond(e3,e3_1,e3_7,1).
12408bond(e3,e3_2,e3_8,1).
12409bond(e3,e3_5,e3_9,1).
12410bond(e3,e3_3,e3_10,1).
12411bond(e3,e3_10,e3_11,1).
12412bond(e3,e3_4,e3_12,1).
12413bond(e3,e3_12,e3_11,1).
12414bond(e3,e3_10,e3_13,1).
12415bond(e3,e3_13,e3_14,1).
12416bond(e3,e3_13,e3_15,1).
12417bond(e3,e3_13,e3_16,1).
12418bond(e3,e3_6,e3_17,1).
12419bond(e3,e3_17,e3_18,2).
12420bond(e3,e3_17,e3_19,2).
12421bond(e3,e3_12,e3_20,1).
12422bond(e3,e3_12,e3_21,1).
12423bond(e3,e3_11,e3_22,1).
12424bond(e3,e3_11,e3_23,1).
12425atm(e4,e4_1,c,22,-0.149).
12426atm(e4,e4_2,c,22,-0.149).
12427atm(e4,e4_3,c,26,0.281).
12428atm(e4,e4_4,c,26,0.081).
12429atm(e4,e4_5,c,22,-0.149).
12430atm(e4,e4_6,c,22,-0.149).
12431atm(e4,e4_7,n,34,-0.559).
12432atm(e4,e4_8,c,21,0.151).
12433atm(e4,e4_9,c,21,-0.119).
12434atm(e4,e4_10,c,10,0.231).
12435atm(e4,e4_11,n,38,0.78).
12436atm(e4,e4_12,o,40,-0.419).
12437atm(e4,e4_13,o,40,-0.419).
12438atm(e4,e4_14,h,3,0.111).
12439atm(e4,e4_15,h,3,0.111).
12440atm(e4,e4_16,h,3,0.081).
12441atm(e4,e4_17,h,3,0.111).
12442atm(e4,e4_18,h,3,0.081).
12443atm(e4,e4_19,h,3,0.031).
12444atm(e4,e4_20,h,3,0.031).
12445atm(e4,e4_21,h,3,0.031).
12446
12447bond(e4,e4_1,e4_2,7).
12448bond(e4,e4_2,e4_3,7).
12449bond(e4,e4_3,e4_4,7).
12450bond(e4,e4_4,e4_5,7).
12451bond(e4,e4_5,e4_6,7).
12452bond(e4,e4_6,e4_1,7).
12453bond(e4,e4_3,e4_7,7).
12454bond(e4,e4_7,e4_8,7).
12455bond(e4,e4_4,e4_9,7).
12456bond(e4,e4_9,e4_8,7).
12457bond(e4,e4_7,e4_10,1).
12458bond(e4,e4_6,e4_11,1).
12459bond(e4,e4_11,e4_12,2).
12460bond(e4,e4_11,e4_13,2).
12461bond(e4,e4_1,e4_14,1).
12462bond(e4,e4_2,e4_15,1).
12463bond(e4,e4_5,e4_16,1).
12464bond(e4,e4_8,e4_17,1).
12465bond(e4,e4_9,e4_18,1).
12466bond(e4,e4_10,e4_19,1).
12467bond(e4,e4_10,e4_20,1).
12468bond(e4,e4_10,e4_21,1).
12469atm(e5,e5_1,c,22,-0.121).
12470atm(e5,e5_2,c,22,-0.121).
12471atm(e5,e5_3,c,22,-0.121).
12472atm(e5,e5_4,c,22,-0.121).
12473atm(e5,e5_5,c,22,-0.121).
12474atm(e5,e5_6,c,22,-0.121).
12475atm(e5,e5_7,h,3,0.139).
12476atm(e5,e5_8,h,3,0.139).
12477atm(e5,e5_9,h,3,0.139).
12478atm(e5,e5_10,h,3,0.139).
12479atm(e5,e5_11,h,3,0.14).
12480atm(e5,e5_12,n,38,0.81).
12481atm(e5,e5_13,o,40,-0.39).
12482atm(e5,e5_14,o,40,-0.39).
12483
12484bond(e5,e5_1,e5_2,7).
12485bond(e5,e5_2,e5_3,7).
12486bond(e5,e5_3,e5_4,7).
12487bond(e5,e5_4,e5_5,7).
12488bond(e5,e5_5,e5_6,7).
12489bond(e5,e5_6,e5_1,7).
12490bond(e5,e5_1,e5_7,1).
12491bond(e5,e5_2,e5_8,1).
12492bond(e5,e5_3,e5_9,1).
12493bond(e5,e5_4,e5_10,1).
12494bond(e5,e5_6,e5_11,1).
12495bond(e5,e5_5,e5_12,1).
12496bond(e5,e5_12,e5_13,2).
12497bond(e5,e5_12,e5_14,2).
12498atm(e6,e6_1,c,22,-0.149).
12499atm(e6,e6_2,c,22,-0.149).
12500atm(e6,e6_3,c,26,0.281).
12501atm(e6,e6_4,c,26,0.081).
12502atm(e6,e6_5,c,22,-0.149).
12503atm(e6,e6_6,c,22,-0.149).
12504atm(e6,e6_7,n,34,-0.559).
12505atm(e6,e6_8,c,21,0.151).
12506atm(e6,e6_9,c,21,-0.119).
12507atm(e6,e6_10,c,10,0.231).
12508atm(e6,e6_11,n,38,0.78).
12509atm(e6,e6_12,o,40,-0.419).
12510atm(e6,e6_13,o,40,-0.419).
12511atm(e6,e6_14,h,3,0.111).
12512atm(e6,e6_15,h,3,0.081).
12513atm(e6,e6_16,h,3,0.111).
12514atm(e6,e6_17,h,3,0.111).
12515atm(e6,e6_18,h,3,0.081).
12516atm(e6,e6_19,h,3,0.031).
12517atm(e6,e6_20,h,3,0.031).
12518atm(e6,e6_21,h,3,0.031).
12519
12520bond(e6,e6_1,e6_2,7).
12521bond(e6,e6_2,e6_3,7).
12522bond(e6,e6_3,e6_4,7).
12523bond(e6,e6_4,e6_5,7).
12524bond(e6,e6_5,e6_6,7).
12525bond(e6,e6_6,e6_1,7).
12526bond(e6,e6_3,e6_7,7).
12527bond(e6,e6_7,e6_8,7).
12528bond(e6,e6_4,e6_9,7).
12529bond(e6,e6_9,e6_8,7).
12530bond(e6,e6_7,e6_10,1).
12531bond(e6,e6_2,e6_11,1).
12532bond(e6,e6_11,e6_12,2).
12533bond(e6,e6_11,e6_13,2).
12534bond(e6,e6_1,e6_14,1).
12535bond(e6,e6_5,e6_15,1).
12536bond(e6,e6_6,e6_16,1).
12537bond(e6,e6_8,e6_17,1).
12538bond(e6,e6_9,e6_18,1).
12539bond(e6,e6_10,e6_19,1).
12540bond(e6,e6_10,e6_20,1).
12541bond(e6,e6_10,e6_21,1).
12542atm(e7,e7_1,c,22,-0.139).
12543atm(e7,e7_2,c,22,-0.139).
12544atm(e7,e7_3,c,26,-0.049).
12545atm(e7,e7_4,c,26,0.091).
12546atm(e7,e7_5,c,22,-0.14).
12547atm(e7,e7_6,c,22,-0.14).
12548atm(e7,e7_7,n,34,-0.37).
12549atm(e7,e7_8,c,21,0.16).
12550atm(e7,e7_9,c,21,-0.109).
12551atm(e7,e7_10,n,38,0.79).
12552atm(e7,e7_11,o,40,-0.41).
12553atm(e7,e7_12,o,40,-0.41).
12554atm(e7,e7_13,h,3,0.121).
12555atm(e7,e7_14,h,3,0.121).
12556atm(e7,e7_15,h,3,0.121).
12557atm(e7,e7_16,h,3,0.121).
12558atm(e7,e7_17,h,3,0.091).
12559atm(e7,e7_18,h,1,0.29).
12560
12561bond(e7,e7_1,e7_2,7).
12562bond(e7,e7_2,e7_3,7).
12563bond(e7,e7_3,e7_4,7).
12564bond(e7,e7_4,e7_5,7).
12565bond(e7,e7_5,e7_6,7).
12566bond(e7,e7_6,e7_1,7).
12567bond(e7,e7_3,e7_7,7).
12568bond(e7,e7_7,e7_8,7).
12569bond(e7,e7_4,e7_9,7).
12570bond(e7,e7_9,e7_8,7).
12571bond(e7,e7_5,e7_10,1).
12572bond(e7,e7_10,e7_11,2).
12573bond(e7,e7_10,e7_12,2).
12574bond(e7,e7_1,e7_13,1).
12575bond(e7,e7_2,e7_14,1).
12576bond(e7,e7_6,e7_15,1).
12577bond(e7,e7_8,e7_16,1).
12578bond(e7,e7_9,e7_17,1).
12579bond(e7,e7_7,e7_18,1).
12580atm(e8,e8_1,c,22,-0.115).
12581atm(e8,e8_2,c,22,-0.115).
12582atm(e8,e8_3,c,26,0.315).
12583atm(e8,e8_4,c,26,0.115).
12584atm(e8,e8_5,c,22,-0.115).
12585atm(e8,e8_6,c,22,-0.115).
12586atm(e8,e8_7,n,34,-0.384).
12587atm(e8,e8_8,n,34,-0.384).
12588atm(e8,e8_9,c,21,-0.115).
12589atm(e8,e8_10,n,38,0.816).
12590atm(e8,e8_11,o,40,-0.384).
12591atm(e8,e8_12,o,40,-0.384).
12592atm(e8,e8_13,h,1,0.315).
12593atm(e8,e8_14,h,3,0.145).
12594atm(e8,e8_15,h,3,0.145).
12595atm(e8,e8_16,h,3,0.115).
12596atm(e8,e8_17,h,3,0.145).
12597
12598bond(e8,e8_1,e8_2,7).
12599bond(e8,e8_2,e8_3,7).
12600bond(e8,e8_3,e8_4,7).
12601bond(e8,e8_4,e8_5,7).
12602bond(e8,e8_5,e8_6,7).
12603bond(e8,e8_6,e8_1,7).
12604bond(e8,e8_3,e8_7,7).
12605bond(e8,e8_7,e8_8,7).
12606bond(e8,e8_4,e8_9,7).
12607bond(e8,e8_9,e8_8,7).
12608bond(e8,e8_6,e8_10,1).
12609bond(e8,e8_10,e8_11,2).
12610bond(e8,e8_10,e8_12,2).
12611bond(e8,e8_7,e8_13,1).
12612bond(e8,e8_1,e8_14,1).
12613bond(e8,e8_2,e8_15,1).
12614bond(e8,e8_5,e8_16,1).
12615bond(e8,e8_9,e8_17,1).
12616atm(e9,e9_1,c,22,-0.121).
12617atm(e9,e9_2,c,22,-0.121).
12618atm(e9,e9_3,c,22,-0.121).
12619atm(e9,e9_4,c,22,0.31).
12620atm(e9,e9_5,c,22,-0.121).
12621atm(e9,e9_6,c,22,-0.121).
12622atm(e9,e9_7,h,3,0.139).
12623atm(e9,e9_8,h,3,0.139).
12624atm(e9,e9_9,h,3,0.139).
12625atm(e9,e9_10,h,3,0.139).
12626atm(e9,e9_11,n,38,0.81).
12627atm(e9,e9_12,f,92,-0.291).
12628atm(e9,e9_13,o,40,-0.39).
12629atm(e9,e9_14,o,40,-0.39).
12630
12631bond(e9,e9_1,e9_2,7).
12632bond(e9,e9_2,e9_3,7).
12633bond(e9,e9_3,e9_4,7).
12634bond(e9,e9_4,e9_5,7).
12635bond(e9,e9_5,e9_6,7).
12636bond(e9,e9_6,e9_1,7).
12637bond(e9,e9_1,e9_7,1).
12638bond(e9,e9_2,e9_8,1).
12639bond(e9,e9_3,e9_9,1).
12640bond(e9,e9_6,e9_10,1).
12641bond(e9,e9_5,e9_11,1).
12642bond(e9,e9_4,e9_12,1).
12643bond(e9,e9_11,e9_13,2).
12644bond(e9,e9_11,e9_14,2).
12645atm(f1,f1_1,c,21,0.187).
12646atm(f1,f1_2,c,21,-0.143).
12647atm(f1,f1_3,c,21,-0.143).
12648atm(f1,f1_4,c,21,-0.013).
12649atm(f1,f1_5,o,52,-0.043).
12650atm(f1,f1_6,h,3,0.117).
12651atm(f1,f1_7,h,3,0.117).
12652atm(f1,f1_8,n,38,0.786).
12653atm(f1,f1_9,o,40,-0.413).
12654atm(f1,f1_10,o,40,-0.413).
12655atm(f1,f1_11,c,14,0.217).
12656atm(f1,f1_12,o,41,-0.443).
12657atm(f1,f1_13,h,3,0.187).
12658
12659bond(f1,f1_1,f1_2,7).
12660bond(f1,f1_2,f1_3,7).
12661bond(f1,f1_3,f1_4,7).
12662bond(f1,f1_4,f1_5,7).
12663bond(f1,f1_5,f1_1,7).
12664bond(f1,f1_2,f1_6,1).
12665bond(f1,f1_3,f1_7,1).
12666bond(f1,f1_4,f1_8,1).
12667bond(f1,f1_8,f1_9,2).
12668bond(f1,f1_8,f1_10,2).
12669bond(f1,f1_1,f1_11,1).
12670bond(f1,f1_11,f1_12,2).
12671bond(f1,f1_11,f1_13,1).
12672atm(f2,f2_1,c,21,0.006).
12673atm(f2,f2_2,c,21,-0.124).
12674atm(f2,f2_3,c,21,-0.124).
12675atm(f2,f2_4,c,21,0.106).
12676atm(f2,f2_5,c,21,-0.124).
12677atm(f2,f2_6,h,3,0.136).
12678atm(f2,f2_7,h,3,0.136).
12679atm(f2,f2_8,h,3,0.136).
12680atm(f2,f2_9,n,38,0.805).
12681atm(f2,f2_10,o,40,-0.395).
12682atm(f2,f2_11,o,40,-0.395).
12683atm(f2,f2_12,c,16,-0.195).
12684atm(f2,f2_13,c,16,-0.195).
12685atm(f2,f2_14,c,14,0.235).
12686atm(f2,f2_15,o,41,-0.425).
12687atm(f2,f2_16,h,3,0.205).
12688atm(f2,f2_17,h,3,0.106).
12689atm(f2,f2_18,h,3,0.106).
12690
12691bond(f2,f2_1,f2_2,7).
12692bond(f2,f2_2,f2_3,7).
12693bond(f2,f2_3,f2_4,7).
12694bond(f2,f2_4,f2_5,7).
12695bond(f2,f2_5,f2_1,7).
12696bond(f2,f2_2,f2_6,1).
12697bond(f2,f2_3,f2_7,1).
12698bond(f2,f2_5,f2_8,1).
12699bond(f2,f2_1,f2_9,1).
12700bond(f2,f2_9,f2_10,2).
12701bond(f2,f2_9,f2_11,2).
12702bond(f2,f2_12,f2_13,2).
12703bond(f2,f2_13,f2_14,1).
12704bond(f2,f2_14,f2_15,2).
12705bond(f2,f2_14,f2_16,1).
12706bond(f2,f2_13,f2_17,1).
12707bond(f2,f2_4,f2_12,1).
12708bond(f2,f2_12,f2_18,1).
12709atm(f3,f3_1,c,21,0.086).
12710atm(f3,f3_2,c,21,-0.144).
12711atm(f3,f3_3,c,21,-0.144).
12712atm(f3,f3_4,c,21,-0.014).
12713atm(f3,f3_5,o,52,-0.044).
12714atm(f3,f3_6,h,3,0.116).
12715atm(f3,f3_7,h,3,0.116).
12716atm(f3,f3_8,n,38,0.788).
12717atm(f3,f3_9,o,40,-0.414).
12718atm(f3,f3_10,o,40,-0.414).
12719atm(f3,f3_11,c,14,0.587).
12720atm(f3,f3_12,n,32,-0.414).
12721atm(f3,f3_13,h,3,0.036).
12722atm(f3,f3_14,n,32,-0.414).
12723atm(f3,f3_15,c,14,0.587).
12724atm(f3,f3_16,h,1,0.287).
12725atm(f3,f3_17,o,40,-0.563).
12726atm(f3,f3_18,n,32,-0.612).
12727atm(f3,f3_19,h,1,0.287).
12728atm(f3,f3_20,h,1,0.287).
12729
12730bond(f3,f3_1,f3_2,7).
12731bond(f3,f3_2,f3_3,7).
12732bond(f3,f3_3,f3_4,7).
12733bond(f3,f3_4,f3_5,7).
12734bond(f3,f3_5,f3_1,7).
12735bond(f3,f3_2,f3_6,1).
12736bond(f3,f3_3,f3_7,1).
12737bond(f3,f3_4,f3_8,1).
12738bond(f3,f3_8,f3_9,2).
12739bond(f3,f3_8,f3_10,2).
12740bond(f3,f3_1,f3_11,1).
12741bond(f3,f3_11,f3_12,2).
12742bond(f3,f3_11,f3_13,1).
12743bond(f3,f3_12,f3_14,1).
12744bond(f3,f3_14,f3_15,1).
12745bond(f3,f3_14,f3_16,1).
12746bond(f3,f3_15,f3_17,2).
12747bond(f3,f3_15,f3_18,1).
12748bond(f3,f3_18,f3_19,1).
12749bond(f3,f3_18,f3_20,1).
12750atm(f4,f4_1,c,21,0.107).
12751atm(f4,f4_2,c,21,-0.123).
12752atm(f4,f4_3,c,21,-0.123).
12753atm(f4,f4_4,c,21,0.007).
12754atm(f4,f4_5,o,52,-0.023).
12755atm(f4,f4_6,h,3,0.137).
12756atm(f4,f4_7,h,3,0.137).
12757atm(f4,f4_8,n,38,0.808).
12758atm(f4,f4_9,o,40,-0.393).
12759atm(f4,f4_10,o,40,-0.393).
12760atm(f4,f4_11,c,14,0.608).
12761atm(f4,f4_12,n,32,-0.393).
12762atm(f4,f4_13,h,3,0.057).
12763atm(f4,f4_14,n,36,-0.293).
12764atm(f4,f4_15,n,32,-0.393).
12765atm(f4,f4_16,h,1,0.157).
12766atm(f4,f4_17,c,10,0.007).
12767atm(f4,f4_18,c,14,0.608).
12768atm(f4,f4_19,c,14,0.608).
12769atm(f4,f4_20,h,3,0.057).
12770atm(f4,f4_21,h,3,0.057).
12771atm(f4,f4_22,n,32,-0.393).
12772atm(f4,f4_23,o,40,-0.542).
12773atm(f4,f4_24,o,40,-0.543).
12774atm(f4,f4_25,h,1,0.257).
12775
12776bond(f4,f4_1,f4_2,7).
12777bond(f4,f4_2,f4_3,7).
12778bond(f4,f4_3,f4_4,7).
12779bond(f4,f4_4,f4_5,7).
12780bond(f4,f4_5,f4_1,7).
12781bond(f4,f4_2,f4_6,1).
12782bond(f4,f4_3,f4_7,1).
12783bond(f4,f4_4,f4_8,1).
12784bond(f4,f4_8,f4_9,2).
12785bond(f4,f4_8,f4_10,2).
12786bond(f4,f4_1,f4_11,1).
12787bond(f4,f4_11,f4_12,2).
12788bond(f4,f4_11,f4_13,1).
12789bond(f4,f4_12,f4_14,1).
12790bond(f4,f4_14,f4_15,1).
12791bond(f4,f4_14,f4_16,1).
12792bond(f4,f4_15,f4_17,1).
12793bond(f4,f4_15,f4_18,1).
12794bond(f4,f4_17,f4_19,1).
12795bond(f4,f4_17,f4_20,1).
12796bond(f4,f4_17,f4_21,1).
12797bond(f4,f4_19,f4_22,1).
12798bond(f4,f4_22,f4_18,1).
12799bond(f4,f4_18,f4_23,2).
12800bond(f4,f4_19,f4_24,2).
12801bond(f4,f4_22,f4_25,1).
12802atm(f5,f5_1,c,21,0.046).
12803atm(f5,f5_2,n,34,-0.494).
12804atm(f5,f5_3,c,21,0.046).
12805atm(f5,f5_4,c,21,0.046).
12806atm(f5,f5_5,s,72,-0.184).
12807atm(f5,f5_6,n,32,-0.354).
12808atm(f5,f5_7,c,10,0.046).
12809atm(f5,f5_8,c,10,0.046).
12810atm(f5,f5_9,n,32,-0.354).
12811atm(f5,f5_10,c,14,0.646).
12812atm(f5,f5_11,h,3,0.146).
12813atm(f5,f5_12,h,3,0.096).
12814atm(f5,f5_13,h,3,0.096).
12815atm(f5,f5_14,h,3,0.096).
12816atm(f5,f5_15,h,3,0.096).
12817atm(f5,f5_16,n,38,0.846).
12818atm(f5,f5_17,o,40,-0.354).
12819atm(f5,f5_18,o,40,-0.354).
12820atm(f5,f5_19,h,1,0.346).
12821atm(f5,f5_20,o,40,-0.504).
12822
12823bond(f5,f5_1,f5_2,7).
12824bond(f5,f5_2,f5_3,7).
12825bond(f5,f5_3,f5_4,7).
12826bond(f5,f5_4,f5_5,7).
12827bond(f5,f5_5,f5_1,7).
12828bond(f5,f5_6,f5_7,1).
12829bond(f5,f5_7,f5_8,1).
12830bond(f5,f5_8,f5_9,1).
12831bond(f5,f5_9,f5_10,1).
12832bond(f5,f5_10,f5_6,1).
12833bond(f5,f5_3,f5_11,1).
12834bond(f5,f5_7,f5_12,1).
12835bond(f5,f5_7,f5_13,1).
12836bond(f5,f5_8,f5_14,1).
12837bond(f5,f5_8,f5_15,1).
12838bond(f5,f5_4,f5_16,1).
12839bond(f5,f5_16,f5_17,2).
12840bond(f5,f5_16,f5_18,2).
12841bond(f5,f5_1,f5_9,1).
12842bond(f5,f5_6,f5_19,1).
12843bond(f5,f5_10,f5_20,2).
12844atm(f6,f6_1,c,21,0.106).
12845atm(f6,f6_2,c,21,-0.124).
12846atm(f6,f6_3,c,21,-0.124).
12847atm(f6,f6_4,c,21,0.006).
12848atm(f6,f6_5,o,52,-0.024).
12849atm(f6,f6_6,h,3,0.136).
12850atm(f6,f6_7,h,3,0.136).
12851atm(f6,f6_8,n,38,0.805).
12852atm(f6,f6_9,o,40,-0.395).
12853atm(f6,f6_10,o,40,-0.394).
12854atm(f6,f6_11,c,14,0.605).
12855atm(f6,f6_12,n,32,-0.395).
12856atm(f6,f6_13,h,3,0.056).
12857atm(f6,f6_14,n,32,-0.395).
12858atm(f6,f6_15,c,10,0.006).
12859atm(f6,f6_16,c,14,0.605).
12860atm(f6,f6_17,c,10,0.256).
12861atm(f6,f6_18,h,3,0.056).
12862atm(f6,f6_19,h,3,0.056).
12863atm(f6,f6_20,o,49,-0.645).
12864atm(f6,f6_21,o,51,-0.545).
12865atm(f6,f6_22,h,3,0.106).
12866atm(f6,f6_23,h,3,0.106).
12867
12868bond(f6,f6_1,f6_2,7).
12869bond(f6,f6_2,f6_3,7).
12870bond(f6,f6_3,f6_4,7).
12871bond(f6,f6_4,f6_5,7).
12872bond(f6,f6_5,f6_1,7).
12873bond(f6,f6_2,f6_6,1).
12874bond(f6,f6_3,f6_7,1).
12875bond(f6,f6_4,f6_8,1).
12876bond(f6,f6_8,f6_9,2).
12877bond(f6,f6_8,f6_10,2).
12878bond(f6,f6_1,f6_11,1).
12879bond(f6,f6_11,f6_12,2).
12880bond(f6,f6_11,f6_13,1).
12881bond(f6,f6_14,f6_15,1).
12882bond(f6,f6_14,f6_16,1).
12883bond(f6,f6_15,f6_17,1).
12884bond(f6,f6_15,f6_18,1).
12885bond(f6,f6_15,f6_19,1).
12886bond(f6,f6_17,f6_20,1).
12887bond(f6,f6_20,f6_16,1).
12888bond(f6,f6_16,f6_21,2).
12889bond(f6,f6_12,f6_14,1).
12890bond(f6,f6_17,f6_22,1).
12891bond(f6,f6_17,f6_23,1).
12892ind1(d1,1.0).
12893ind1(d2,0.0).
12894ind1(d3,0.0).
12895ind1(d4,1.0).
12896ind1(d5,0.0).
12897ind1(d6,1.0).
12898ind1(d7,0.0).
12899ind1(d8,1.0).
12900ind1(d9,0.0).
12901
12902ind1(d10,1.0).
12903ind1(d11,1.0).
12904ind1(d12,1.0).
12905ind1(d13,1.0).
12906ind1(d14,0.0).
12907ind1(d15,1.0).
12908ind1(d16,1.0).
12909ind1(d17,0.0).
12910ind1(d18,1.0).
12911ind1(d19,0.0).
12912
12913ind1(d20,1.0).
12914ind1(d21,0.0).
12915ind1(d22,1.0).
12916ind1(d23,1.0).
12917ind1(d24,1.0).
12918ind1(d25,1.0).
12919ind1(d26,0.0).
12920ind1(d27,1.0).
12921ind1(d28,1.0).
12922ind1(d29,1.0).
12923
12924ind1(d30,1.0).
12925ind1(d31,1.0).
12926ind1(d32,0.0).
12927ind1(d33,1.0).
12928ind1(d34,0.0).
12929ind1(d35,1.0).
12930ind1(d36,0.0).
12931ind1(d37,0.0).
12932ind1(d38,0.0).
12933ind1(d39,0.0).
12934
12935ind1(d40,0.0).
12936ind1(d41,1.0).
12937ind1(d42,0.0).
12938ind1(d43,1.0).
12939ind1(d44,1.0).
12940ind1(d45,0.0).
12941ind1(d46,1.0).
12942ind1(d47,1.0).
12943ind1(d48,1.0).
12944ind1(d49,1.0).
12945
12946ind1(d50,0.0).
12947ind1(d51,1.0).
12948ind1(d52,1.0).
12949ind1(d53,1.0).
12950ind1(d54,1.0).
12951ind1(d55,0.0).
12952ind1(d56,1.0).
12953ind1(d57,0.0).
12954ind1(d58,1.0).
12955ind1(d59,1.0).
12956
12957ind1(d60,0.0).
12958ind1(d61,1.0).
12959ind1(d62,0.0).
12960ind1(d63,0.0).
12961ind1(d64,1.0).
12962ind1(d65,0.0).
12963ind1(d66,0.0).
12964ind1(d67,1.0).
12965ind1(d68,1.0).
12966ind1(d69,1.0).
12967
12968ind1(d70,0.0).
12969ind1(d71,1.0).
12970ind1(d72,1.0).
12971ind1(d73,0.0).
12972ind1(d74,1.0).
12973ind1(d75,0.0).
12974ind1(d76,0.0).
12975ind1(d77,0.0).
12976ind1(d78,0.0).
12977ind1(d79,1.0).
12978
12979ind1(d80,1.0).
12980ind1(d81,0.0).
12981ind1(d82,1.0).
12982ind1(d83,1.0).
12983ind1(d84,0.0).
12984ind1(d85,1.0).
12985ind1(d86,1.0).
12986ind1(d87,1.0).
12987ind1(d88,0.0).
12988ind1(d89,0.0).
12989
12990ind1(d90,1.0).
12991ind1(d91,1.0).
12992ind1(d92,1.0).
12993ind1(d93,1.0).
12994ind1(d94,1.0).
12995ind1(d95,0.0).
12996ind1(d96,1.0).
12997ind1(d97,1.0).
12998ind1(d98,0.0).
12999ind1(d99,1.0).
13000
13001ind1(d100,0.0).
13002ind1(d101,1.0).
13003ind1(d102,1.0).
13004ind1(d103,1.0).
13005ind1(d104,1.0).
13006ind1(d105,1.0).
13007ind1(d106,1.0).
13008ind1(d107,1.0).
13009ind1(d108,1.0).
13010ind1(d109,1.0).
13011
13012ind1(d110,0.0).
13013ind1(d111,0.0).
13014ind1(d112,1.0).
13015ind1(d113,0.0).
13016ind1(d114,0.0).
13017ind1(d115,0.0).
13018ind1(d116,0.0).
13019ind1(d117,0.0).
13020ind1(d118,1.0).
13021ind1(d119,0.0).
13022
13023ind1(d120,0.0).
13024ind1(d121,1.0).
13025ind1(d122,1.0).
13026ind1(d123,0.0).
13027ind1(d124,0.0).
13028ind1(d125,1.0).
13029ind1(d126,1.0).
13030ind1(d127,0.0).
13031ind1(d128,1.0).
13032ind1(d129,0.0).
13033
13034ind1(d130,0.0).
13035ind1(d131,0.0).
13036ind1(d132,0.0).
13037ind1(d133,1.0).
13038ind1(d134,1.0).
13039ind1(d135,0.0).
13040ind1(d136,1.0).
13041ind1(d137,1.0).
13042ind1(d138,0.0).
13043ind1(d139,0.0).
13044
13045ind1(d140,0.0).
13046ind1(d141,0.0).
13047ind1(d142,1.0).
13048ind1(d143,0.0).
13049ind1(d144,0.0).
13050ind1(d145,0.0).
13051ind1(d146,0.0).
13052ind1(d147,0.0).
13053ind1(d148,1.0).
13054ind1(d149,1.0).
13055
13056ind1(d150,0.0).
13057ind1(d151,0.0).
13058ind1(d152,1.0).
13059ind1(d153,1.0).
13060ind1(d154,0.0).
13061ind1(d155,0.0).
13062ind1(d156,0.0).
13063ind1(d157,1.0).
13064ind1(d158,1.0).
13065ind1(d159,1.0).
13066
13067ind1(d160,0.0).
13068ind1(d161,1.0).
13069ind1(d162,0.0).
13070ind1(d163,1.0).
13071ind1(d164,1.0).
13072ind1(d165,1.0).
13073ind1(d166,1.0).
13074ind1(d167,1.0).
13075ind1(d168,0.0).
13076ind1(d169,0.0).
13077
13078ind1(d170,1.0).
13079ind1(d171,0.0).
13080ind1(d172,0.0).
13081ind1(d173,0.0).
13082ind1(d174,1.0).
13083ind1(d175,1.0).
13084ind1(d176,0.0).
13085ind1(d177,1.0).
13086ind1(d178,0.0).
13087ind1(d179,0.0).
13088
13089ind1(d180,1.0).
13090ind1(d181,0.0).
13091ind1(d182,0.0).
13092ind1(d183,1.0).
13093ind1(d184,1.0).
13094ind1(d185,0.0).
13095ind1(d186,0.0).
13096ind1(d187,1.0).
13097ind1(d188,1.0).
13098
13099
13100
13101
13102
13103
13104
13105
13106ind1(d189,0.0).
13107ind1(d190,0.0).
13108ind1(d191,1.0).
13109ind1(d192,1.0).
13110ind1(d193,1.0).
13111ind1(d194,0.0).
13112ind1(d195,0.0).
13113ind1(d196,1.0).
13114ind1(d197,0.0).
13115
13116ind1(e1,1.0).
13117ind1(e2,1.0).
13118ind1(e3,0.0).
13119ind1(e4,0.0).
13120ind1(e5,0.0).
13121ind1(e6,0.0).
13122ind1(e7,0.0).
13123ind1(e8,0.0).
13124ind1(e9,0.0).
13125ind1(e10,0.0).
13126ind1(e11,0.0).
13127ind1(e12,0.0).
13128ind1(e13,0.0).
13129ind1(e14,0.0).
13130ind1(e15,1.0).
13131ind1(e16,0.0).
13132ind1(e17,1.0).
13133ind1(e18,0.0).
13134ind1(e19,1.0).
13135ind1(e20,1.0).
13136ind1(e21,1.0).
13137ind1(e22,1.0).
13138ind1(e23,1.0).
13139ind1(e24,1.0).
13140ind1(e25,1.0).
13141ind1(e26,1.0).
13142ind1(e27,1.0).
13143ind1(f1,0.0).
13144ind1(f2,0.0).
13145ind1(f3,0.0).
13146ind1(f4,0.0).
13147ind1(f5,0.0).
13148ind1(f6,0.0).
13149inda(d1,0.0).
13150inda(d2,0.0).
13151inda(d3,0.0).
13152inda(d4,0.0).
13153inda(d5,0.0).
13154inda(d6,0.0).
13155inda(d7,0.0).
13156inda(d8,0.0).
13157inda(d9,0.0).
13158
13159inda(d10,0.0).
13160inda(d11,0.0).
13161inda(d12,0.0).
13162inda(d13,0.0).
13163inda(d14,0.0).
13164inda(d15,0.0).
13165inda(d16,0.0).
13166inda(d17,0.0).
13167inda(d18,0.0).
13168inda(d19,0.0).
13169
13170inda(d20,0.0).
13171inda(d21,0.0).
13172inda(d22,0.0).
13173inda(d23,1.0).
13174inda(d24,0.0).
13175inda(d25,0.0).
13176inda(d26,0.0).
13177inda(d27,0.0).
13178inda(d28,0.0).
13179inda(d29,0.0).
13180
13181inda(d30,1.0).
13182inda(d31,0.0).
13183inda(d32,0.0).
13184inda(d33,0.0).
13185inda(d34,0.0).
13186inda(d35,0.0).
13187inda(d36,0.0).
13188inda(d37,0.0).
13189inda(d38,0.0).
13190inda(d39,0.0).
13191
13192inda(d40,0.0).
13193inda(d41,0.0).
13194inda(d42,0.0).
13195inda(d43,0.0).
13196inda(d44,0.0).
13197inda(d45,0.0).
13198inda(d46,0.0).
13199inda(d47,0.0).
13200inda(d48,0.0).
13201inda(d49,0.0).
13202
13203inda(d50,0.0).
13204inda(d51,0.0).
13205inda(d52,0.0).
13206inda(d53,0.0).
13207inda(d54,0.0).
13208inda(d55,0.0).
13209inda(d56,0.0).
13210inda(d57,0.0).
13211inda(d58,0.0).
13212inda(d59,1.0).
13213
13214inda(d60,0.0).
13215inda(d61,0.0).
13216inda(d62,0.0).
13217inda(d63,0.0).
13218inda(d64,0.0).
13219inda(d65,0.0).
13220inda(d66,0.0).
13221inda(d67,0.0).
13222inda(d68,0.0).
13223inda(d69,0.0).
13224
13225inda(d70,0.0).
13226inda(d71,0.0).
13227inda(d72,0.0).
13228inda(d73,0.0).
13229inda(d74,0.0).
13230inda(d75,0.0).
13231inda(d76,0.0).
13232inda(d77,0.0).
13233inda(d78,0.0).
13234inda(d79,0.0).
13235
13236inda(d80,0.0).
13237inda(d81,0.0).
13238inda(d82,0.0).
13239inda(d83,0.0).
13240inda(d84,0.0).
13241inda(d85,1.0).
13242inda(d86,1.0).
13243inda(d87,0.0).
13244inda(d88,0.0).
13245inda(d89,0.0).
13246
13247inda(d90,0.0).
13248inda(d91,0.0).
13249inda(d92,0.0).
13250inda(d93,0.0).
13251inda(d94,0.0).
13252inda(d95,0.0).
13253inda(d96,0.0).
13254inda(d97,0.0).
13255inda(d98,0.0).
13256inda(d99,0.0).
13257
13258inda(d100,0.0).
13259inda(d101,0.0).
13260inda(d102,0.0).
13261inda(d103,0.0).
13262inda(d104,0.0).
13263inda(d105,0.0).
13264inda(d106,0.0).
13265inda(d107,0.0).
13266inda(d108,0.0).
13267inda(d109,0.0).
13268
13269inda(d110,0.0).
13270inda(d111,0.0).
13271inda(d112,0.0).
13272inda(d113,0.0).
13273inda(d114,0.0).
13274inda(d115,0.0).
13275inda(d116,0.0).
13276inda(d117,0.0).
13277inda(d118,0.0).
13278inda(d119,0.0).
13279
13280inda(d120,0.0).
13281inda(d121,0.0).
13282inda(d122,0.0).
13283inda(d123,0.0).
13284inda(d124,0.0).
13285inda(d125,0.0).
13286inda(d126,0.0).
13287inda(d127,0.0).
13288inda(d128,0.0).
13289inda(d129,0.0).
13290
13291inda(d130,0.0).
13292inda(d131,0.0).
13293inda(d132,0.0).
13294inda(d133,0.0).
13295inda(d134,0.0).
13296inda(d135,0.0).
13297inda(d136,0.0).
13298inda(d137,0.0).
13299inda(d138,0.0).
13300inda(d139,0.0).
13301
13302inda(d140,0.0).
13303inda(d141,0.0).
13304inda(d142,0.0).
13305inda(d143,0.0).
13306inda(d144,0.0).
13307inda(d145,0.0).
13308inda(d146,0.0).
13309inda(d147,0.0).
13310inda(d148,0.0).
13311inda(d149,0.0).
13312
13313inda(d150,0.0).
13314inda(d151,0.0).
13315inda(d152,0.0).
13316inda(d153,0.0).
13317inda(d154,0.0).
13318inda(d155,0.0).
13319inda(d156,0.0).
13320inda(d157,0.0).
13321inda(d158,0.0).
13322inda(d159,0.0).
13323
13324inda(d160,0.0).
13325inda(d161,0.0).
13326inda(d162,0.0).
13327inda(d163,0.0).
13328inda(d164,0.0).
13329inda(d165,0.0).
13330inda(d166,0.0).
13331inda(d167,0.0).
13332inda(d168,0.0).
13333inda(d169,0.0).
13334
13335inda(d170,0.0).
13336inda(d171,0.0).
13337inda(d172,0.0).
13338inda(d173,0.0).
13339inda(d174,0.0).
13340inda(d175,0.0).
13341inda(d176,0.0).
13342inda(d177,0.0).
13343inda(d178,0.0).
13344inda(d179,0.0).
13345
13346inda(d180,0.0).
13347inda(d181,0.0).
13348inda(d182,0.0).
13349inda(d183,0.0).
13350inda(d184,0.0).
13351inda(d185,0.0).
13352inda(d186,0.0).
13353inda(d187,0.0).
13354inda(d188,0.0).
13355
13356
13357
13358
13359
13360
13361
13362
13363inda(d189,0.0).
13364inda(d190,0.0).
13365inda(d191,0.0).
13366inda(d192,0.0).
13367inda(d193,0.0).
13368inda(d194,0.0).
13369inda(d195,0.0).
13370inda(d196,0.0).
13371inda(d197,0.0).
13372
13373inda(e1,0.0).
13374inda(e2,0.0).
13375inda(e3,0.0).
13376inda(e4,0.0).
13377inda(e5,0.0).
13378inda(e6,0.0).
13379inda(e7,0.0).
13380inda(e8,0.0).
13381inda(e9,0.0).
13382inda(e10,0.0).
13383inda(e11,0.0).
13384inda(e12,0.0).
13385inda(e13,0.0).
13386inda(e14,0.0).
13387inda(e15,0.0).
13388inda(e16,0.0).
13389inda(e17,0.0).
13390inda(e18,0.0).
13391inda(e19,0.0).
13392inda(e20,0.0).
13393inda(e21,0.0).
13394inda(e22,0.0).
13395inda(e23,0.0).
13396inda(e24,0.0).
13397inda(e25,0.0).
13398inda(e26,0.0).
13399inda(e27,0.0).
13400inda(f1,0.0).
13401inda(f2,0.0).
13402inda(f3,0.0).
13403inda(f4,0.0).
13404inda(f5,0.0).
13405inda(f6,0.0).
13406act(d1,2.11).
13407act(d2,-1.24).
13408act(d3,-0.96).
13409act(d4,2.74).
13410act(d5,-0.79).
13411act(d6,4.99).
13412act(d7,-0.10).
13413act(d8,1.86).
13414act(d9,-1.83).
13415act(d10,2.36).
13416act(d11,2.25).
13417act(d12,2.43).
13418act(d13,3.78).
13419act(d14,-1.10).
13420act(d15,2.78).
13421act(d16,3.62).
13422act(d17,-3.00).
13423act(d18,2.13).
13424act(d19,-1.08).
13425act(d20,2.51).
13426act(d21,0.23).
13427act(d22,2.97).
13428act(d23,0.86).
13429act(d24,0.45).
13430act(d25,1.68).
13431act(d26,0.30).
13432act(d27,2.63).
13433act(d28,2.68).
13434act(d29,3.41).
13435act(d30,0.67).
13436act(d31,3.11).
13437act(d32,1.54).
13438act(d33,2.81).
13439act(d34,-0.30).
13440act(d35,1.56).
13441act(d36,0.00).
13442act(d37,0.69).
13443act(d38,-0.30).
13444act(d39,-1.21).
13445act(d40,-0.61).
13446act(d41,3.06).
13447act(d42,-1.10).
13448act(d43,3.01).
13449act(d44,1.99).
13450act(d45,0.15).
13451act(d46,0.90).
13452act(d47,3.50).
13453act(d48,2.95).
13454act(d49,2.75).
13455act(d50,0.52).
13456act(d51,2.41).
13457act(d52,2.41).
13458act(d53,3.22).
13459act(d54,1.73).
13460act(d55,-0.70).
13461act(d56,2.06).
13462act(d57,0.66).
13463act(d58,2.80).
13464act(d59,0.26).
13465act(d60,0.35).
13466act(d61,3.11).
13467act(d62,-2.40).
13468act(d63,2.45).
13469act(d64,3.19).
13470act(d65,-0.05).
13471act(d66,-1.52).
13472act(d67,2.26).
13473act(d68,2.82).
13474act(d69,3.20).
13475act(d70,-0.94).
13476act(d71,2.19).
13477act(d72,1.43).
13478act(d73,-2.00).
13479act(d74,2.76).
13480act(d75,1.17).
13481act(d76,-1.72).
13482act(d77,-1.52).
13483act(d78,-0.23).
13484act(d79,1.79).
13485act(d80,1.87).
13486act(d81,0.03).
13487act(d82,3.56).
13488act(d83,1.01).
13489act(d84,-1.30).
13490act(d85,0.04).
13491act(d86,0.92).
13492act(d87,1.64).
13493act(d88,-1.54).
13494act(d89,-1.00).
13495act(d90,1.59).
13496act(d91,3.08).
13497act(d92,1.58).
13498act(d93,2.95).
13499act(d94,3.39).
13500act(d95,1.51).
13501act(d96,4.99).
13502act(d97,2.79).
13503act(d98,-1.55).
13504act(d99,1.77).
13505act(d100,-1.70).
13506act(d101,0.78).
13507act(d102,2.93).
13508act(d103,3.35).
13509act(d104,0.70).
13510act(d105,0.59).
13511act(d106,1.89).
13512act(d107,3.44).
13513act(d108,3.67).
13514act(d109,3.60).
13515act(d110,-0.07).
13516act(d111,-1.64).
13517act(d112,1.00).
13518act(d113,-1.74).
13519act(d114,-1.70).
13520act(d115,0.08).
13521act(d116,-0.23).
13522act(d117,0.03).
13523act(d118,0.30).
13524act(d119,-0.19).
13525act(d120,-0.82).
13526act(d121,3.16).
13527act(d122,1.75).
13528act(d123,-0.84).
13529act(d124,-1.66).
13530act(d125,3.27).
13531act(d126,2.02).
13532act(d127,1.92).
13533act(d128,1.91).
13534act(d129,-0.07).
13535act(d130,-2.70).
13536act(d131,-1.15).
13537act(d132,-1.92).
13538act(d133,-1.40).
13539act(d134,4.25).
13540act(d135,-1.21).
13541act(d136,3.87).
13542act(d137,2.62).
13543act(d138,-0.41).
13544act(d139,-2.00).
13545act(d140,0.90).
13546act(d141,-1.51).
13547act(d142,-0.53).
13548act(d143,-2.22).
13549act(d144,-1.54).
13550act(d145,0.25).
13551act(d146,0.19).
13552act(d147,-0.51).
13553act(d148,1.77).
13554act(d149,4.34).
13555act(d150,-1.61).
13556act(d151,0.11).
13557act(d152,2.32).
13558act(d153,0.58).
13559act(d154,0.00).
13560act(d155,-1.89).
13561act(d156,-0.48).
13562act(d157,1.34).
13563act(d158,2.89).
13564act(d159,1.59).
13565act(d160,-1.32).
13566act(d161,1.99).
13567act(d162,2.85).
13568act(d163,4.58).
13569act(d164,5.04).
13570act(d165,4.05).
13571act(d166,4.22).
13572act(d167,5.06).
13573act(d168,-2.70).
13574act(d169,1.20).
13575act(d170,0.87).
13576act(d171,2.66).
13577act(d172,0.66).
13578act(d173,2.60).
13579act(d174,5.02).
13580act(d175,-0.33).
13581act(d176,0.96).
13582act(d177,1.26).
13583act(d178,0.23).
13584act(d179,-1.42).
13585act(d180,4.33).
13586act(d181,-1.11).
13587act(d182,-2.70).
13588act(d183,5.39).
13589act(d184,5.09).
13590act(d185,-1.84).
13591act(d186,-0.17).
13592act(d187,4.09).
13593act(d188,-0.70).
13594act(d189,-0.70).
13595act(d190,0.57).
13596act(d191,0.77).
13597act(d192,-0.22).
13598act(d193,-0.22).
13599act(d194,0.63).
13600act(d195,-2.94).
13601act(d196,-2.00).
13602act(d197,2.54).
13603act(e1,1.64).
13604act(e2,0.30).
13605act(e3,-4.0).
13606act(e4,-4.0).
13607act(e5,-4.0).
13608act(e6,-4.0).
13609act(e7,-4.0).
13610act(e8,-4.0).
13611act(e9,-4.0).
13612act(e10,-4.0).
13613act(e11,-4.0).
13614act(e12,-4.0).
13615act(e13,-4.0).
13616act(e14,-4.0).
13617act(e15,-0.52).
13618act(e16,-4.0).
13619act(e17,-0.95).
13620act(e18,-4.0).
13621act(e19,-4.0).
13622act(e20,-4.0).
13623act(e21,-4.0).
13624act(e22,-4.0).
13625act(e23,-4.0).
13626act(e24,-4.0).
13627act(e25,-4.0).
13628act(e26,-4.0).
13629act(e27,1.48).
13630act(f1,0.64).
13631act(f2,1.97).
13632act(f3,1.02).
13633act(f4,1.03).
13634act(f5,2.59).
13635act(f6,2.24).
13636logp(d8, 3.46).
13637logp(d16, 4.44).
13638logp(d21, 3.52).
13639logp(d22, 5.09).
13640logp(d23, 5.07).
13641logp(d29, 2.42).
13642logp(d30, 5.07).
13643logp(d32, 3).
13644logp(d33, 4.23).
13645logp(d35, 3.06).
13646logp(d37, 4.18).
13647logp(d44, 4.53).
13648logp(d47, 5.02).
13649logp(d74, 5.87).
13650logp(d81, 1.49).
13651logp(d85, 5.07).
13652logp(d91, 3.01).
13653logp(d92, 5.28).
13654logp(d93, 5.87).
13655logp(d97, 3.95).
13656logp(d99, 2.72).
13657logp(d102, 2.4).
13658logp(d103, 4.69).
13659logp(d106, 4.34).
13660logp(d108, 4.69).
13661logp(d118, 6.57).
13662logp(d121, 4.18).
13663logp(d134, 4.73).
13664logp(d145, 2.68).
13665logp(d158, 3.08).
13666logp(d161, 5.61).
13667logp(d162, 3).
13668logp(d167, 4.44).
13669logp(d170, 2.52).
13670logp(d176, 2.74).
13671logp(d180, 6.07).
13672logp(f4, -0.47).
13673logp(f5, 0.95).
13674logp(d2, 1.44).
13675logp(d17, 0.87).
13676logp(d42, 1.77).
13677logp(d70, 0.47).
13678logp(d77, 2.68).
13679logp(d89, 1.77).
13680logp(d98, 1.65).
13681logp(d111, 1.56).
13682logp(d114, 2.68).
13683logp(d119, 3.26).
13684logp(d120, 1.77).
13685logp(d130, 1.73).
13686logp(d131, 2.83).
13687logp(d132, 1.74).
13688logp(d138, 1.77).
13689logp(d141, 3.05).
13690logp(d144, 2.9).
13691logp(d147, 1.94).
13692logp(d186, 2.07).
13693logp(d188, 3.51).
13694logp(d189, 2.29).
13695logp(d196, 3.51).
13696logp(e4, 2.5).
13697logp(e5, 1.85).
13698logp(e8, 2.03).
13699logp(e12, 1.58).
13700logp(e14, 2.39).
13701logp(e18, 3.12).
13702logp(e22, 2.55).
13703logp(e25, 4.78).
13704logp(e26, 5.06).
13705logp(d1, 4.23).
13706logp(d4, 4.69).
13707logp(d6, 3.92).
13708logp(d10, 4.62).
13709logp(d11, 4.23).
13710logp(d12, 3.63).
13711logp(d13, 4.44).
13712logp(d15, 4.69).
13713logp(d18, 3.06).
13714logp(d20, 3.4).
13715logp(d24, 6.79).
13716logp(d25, 3.43).
13717logp(d26, 2.17).
13718logp(d27, 5.87).
13719logp(d28, 4.11).
13720logp(d31, 4.44).
13721logp(d41, 4.83).
13722logp(d43, 4.69).
13723logp(d45, 1.46).
13724logp(d46, 6.57).
13725logp(d48, 4.23).
13726logp(d49, 2.29).
13727logp(d50, 2.58).
13728logp(d51, 6.01).
13729logp(d52, 6.01).
13730logp(d53, 3.35).
13731logp(d54, 6.24).
13732logp(d56, 2.52).
13733logp(d57, 3.26).
13734logp(d58, 3.01).
13735logp(d59, 5.07).
13736logp(d60, 2.3).
13737logp(d61, 4.68).
13738logp(d63, 2.79).
13739logp(d64, 2.84).
13740logp(d67, 4.66).
13741logp(d68, 5.87).
13742logp(d69, 3.71).
13743logp(d71, 6.01).
13744logp(d72, 3.37).
13745logp(d75, 3.52).
13746logp(d79, 4.73).
13747logp(d80, 4.69).
13748logp(d82, 4.18).
13749logp(d83, 3.51).
13750logp(d86, 5.07).
13751logp(d87, 3.83).
13752logp(d90, 5.87).
13753logp(d94, 4.69).
13754logp(d95, 2.55).
13755logp(d96, 4.18).
13756logp(d101, 6.26).
13757logp(d104, 6.26).
13758logp(d105, 1.84).
13759logp(d107, 4.18).
13760logp(d109, 6.07).
13761logp(d112, 3.81).
13762logp(d115, 2.74).
13763logp(d117, 3.26).
13764logp(d122, 5.41).
13765logp(d125, 4.99).
13766logp(d126, 2.29).
13767logp(d127, 3.26).
13768logp(d128, 3.36).
13769logp(d136, 4.66).
13770logp(d137, 4.44).
13771logp(d140, 2.52).
13772logp(d146, 2.68).
13773logp(d148, 3.36).
13774logp(d149, 2.29).
13775logp(d151, 1.75).
13776logp(d152, 4.44).
13777logp(d153, 3.85).
13778logp(d157, 4.19).
13779logp(d159, 4.19).
13780logp(d163, 4.44).
13781logp(d164, 4.44).
13782logp(d165, 4.69).
13783logp(d166, 4.42).
13784logp(d169, 1.49).
13785logp(d171, 3).
13786logp(d172, 2.06).
13787logp(d173, 3.26).
13788logp(d174, 4.44).
13789logp(d177, 2.29).
13790logp(d178, 1.77).
13791logp(d182, 1.99).
13792logp(d183, 4.44).
13793logp(d184, 4.44).
13794logp(d187, 5.41).
13795logp(d190, 2.13).
13796logp(d191, 4.35).
13797logp(d194, 0.88).
13798logp(d197, 1.58).
13799logp(e1, 5.87).
13800logp(e2, 6.16).
13801logp(e27, 5.87).
13802logp(f1, 1.01).
13803logp(f2, 0.96).
13804logp(f3, 0.23).
13805logp(f6, -0.04).
13806logp(d3, 1.86).
13807logp(d5, 1.89).
13808logp(d7, 3.99).
13809logp(d9, 1.64).
13810logp(d14, 1.77).
13811logp(d19, 1.84).
13812logp(d34, 3.24).
13813logp(d36, 3.43).
13814logp(d38, 3.77).
13815logp(d39, 1.87).
13816logp(d40, 3.19).
13817logp(d55, 3.43).
13818logp(d62, 1.36).
13819logp(d65, 2.83).
13820logp(d66, 2.68).
13821logp(d73, 2.68).
13822logp(d76, 2.24).
13823logp(d78, 4.27).
13824logp(d84, 2.61).
13825logp(d88, 1.53).
13826logp(d100, 2.68).
13827logp(d110, 3).
13828logp(d113, 1.84).
13829logp(d116, 1.8).
13830logp(d123, 4.49).
13831logp(d124, 1.89).
13832logp(d129, 1.46).
13833logp(d133, 7.13).
13834logp(d135, 2.74).
13835logp(d139, 2.72).
13836logp(d142, 6.68).
13837logp(d143, 2.35).
13838logp(d150, -0.02).
13839logp(d154, 1.59).
13840logp(d155, 1.72).
13841logp(d156, 1.92).
13842logp(d160, 2.78).
13843logp(d168, 2.03).
13844logp(d175, 7.84).
13845logp(d179, 2.73).
13846logp(d181, 0.53).
13847logp(d185, 1.89).
13848logp(d192, 5.41).
13849logp(d193, 5.41).
13850logp(d195, 3.61).
13851logp(e3, 2.86).
13852logp(e6, 2.5).
13853logp(e7, 2.13).
13854logp(e9, 1.69).
13855logp(e10, 2.13).
13856logp(e11, 1.9).
13857logp(e13, 2.41).
13858logp(e15, 5.41).
13859logp(e16, 3.09).
13860logp(e17, 4.78).
13861logp(e19, 1.38).
13862logp(e20, 1.38).
13863logp(e21, 6.57).
13864logp(e23, 2.55).
13865logp(e24, 5.41).
13866lumo(d8, -1.437).
13867lumo(d16, -2.172).
13868lumo(d21, -1.665).
13869lumo(d22, -1.602).
13870lumo(d23, -2.164).
13871lumo(d29, -2.837).
13872lumo(d30, -2.005).
13873lumo(d32, -2.562).
13874lumo(d33, -1.591).
13875lumo(d35, -1.176).
13876lumo(d37, -1.428).
13877lumo(d44, -1.265).
13878lumo(d47, -1.88).
13879lumo(d74, -1.689).
13880lumo(d81, -1.937).
13881lumo(d85, -2.113).
13882lumo(d91, -2.032).
13883lumo(d92, -1.208).
13884lumo(d93, -1.729).
13885lumo(d97, -1.361).
13886lumo(d99, -2.159).
13887lumo(d102, -3.172).
13888lumo(d103, -1.487).
13889lumo(d106, -1.607).
13890lumo(d108, -1.676).
13891lumo(d118, -1.8).
13892lumo(d121, -2.68).
13893lumo(d134, -1.951).
13894lumo(d145, -1.178).
13895lumo(d158, -1.34).
13896lumo(d161, -2.221).
13897lumo(d162, -2.687).
13898lumo(d167, -2.31).
13899lumo(d170, -2.113).
13900lumo(d176, -1.304).
13901lumo(d180, -2.182).
13902lumo(f4, -1.645).
13903lumo(f5, -1.526).
13904lumo(d2, -1.429).
13905lumo(d17, -0.529).
13906lumo(d42, -1.19).
13907lumo(d70, -1.786).
13908lumo(d77, -1.029).
13909lumo(d89, -1.028).
13910lumo(d98, -1.598).
13911lumo(d111, -1.687).
13912lumo(d114, -1.148).
13913lumo(d119, -1.995).
13914lumo(d120, -0.937).
13915lumo(d130, -0.93).
13916lumo(d131, -1.538).
13917lumo(d132, -1.499).
13918lumo(d138, -1.157).
13919lumo(d141, -1.228).
13920lumo(d144, -1.288).
13921lumo(d147, -0.937).
13922lumo(d186, -0.574).
13923lumo(d188, -0.872).
13924lumo(d189, -3.025).
13925lumo(d196, -1.092).
13926lumo(e4, -0.746).
13927lumo(e5, -1.089).
13928lumo(e8, -1.117).
13929lumo(e12, -1.834).
13930lumo(e14, -1.36).
13931lumo(e18, -1.538).
13932lumo(e22, -1.636).
13933lumo(e25, -1.748).
13934lumo(e26, -1.82).
13935lumo(d1, -1.246).
13936lumo(d4, -1.591).
13937lumo(d6, -3.406).
13938lumo(d10, -1.387).
13939lumo(d11, -1.254).
13940lumo(d12, -1.627).
13941lumo(d13, -2.292).
13942lumo(d15, -1.698).
13943lumo(d18, -1.861).
13944lumo(d20, -1.764).
13945lumo(d24, -1.728).
13946lumo(d25, -1.398).
13947lumo(d26, -2.072).
13948lumo(d27, -1.801).
13949lumo(d28, -1.558).
13950lumo(d31, -2.055).
13951lumo(d41, -1.6).
13952lumo(d43, -1.57).
13953lumo(d45, -2.227).
13954lumo(d46, -1.804).
13955lumo(d48, -1.616).
13956lumo(d49, -2.808).
13957lumo(d50, -1.932).
13958lumo(d51, -2.184).
13959lumo(d52, -2.189).
13960lumo(d53, -2.155).
13961lumo(d54, -1.464).
13962lumo(d56, -2.234).
13963lumo(d57, -2.242).
13964lumo(d58, -1.991).
13965lumo(d59, -2.14).
13966lumo(d60, -2.468).
13967lumo(d61, -1.556).
13968lumo(d63, -3.768).
13969lumo(d64, -2.338).
13970lumo(d67, -1.536).
13971lumo(d68, -1.766).
13972lumo(d69, -1.929).
13973lumo(d71, -2.095).
13974lumo(d72, -1.448).
13975lumo(d75, -1.87).
13976lumo(d79, -1.26).
13977lumo(d80, -1.329).
13978lumo(d82, -2.71).
13979lumo(d83, -1.145).
13980lumo(d86, -1.918).
13981lumo(d87, -1.488).
13982lumo(d90, -1.62).
13983lumo(d94, -1.585).
13984lumo(d95, -2.434).
13985lumo(d96, -2.871).
13986lumo(d101, -1.598).
13987lumo(d104, -1.546).
13988lumo(d105, -1.749).
13989lumo(d107, -2.791).
13990lumo(d109, -2.284).
13991lumo(d112, -1.208).
13992lumo(d115, -1.161).
13993lumo(d117, -2.142).
13994lumo(d122, -1.61).
13995lumo(d125, -1.256).
13996lumo(d126, -2.718).
13997lumo(d127, -2.196).
13998lumo(d128, -2.149).
13999lumo(d136, -1.685).
14000lumo(d137, -2.263).
14001lumo(d140, -1.751).
14002lumo(d146, -1.102).
14003lumo(d148, -2.158).
14004lumo(d149, -2.87).
14005lumo(d151, -1.411).
14006lumo(d152, -2.191).
14007lumo(d153, -1.151).
14008lumo(d157, -1.623).
14009lumo(d159, -1.742).
14010lumo(d163, -1.974).
14011lumo(d164, -2.306).
14012lumo(d165, -1.522).
14013lumo(d166, -1.709).
14014lumo(d169, -2.17).
14015lumo(d171, -2.508).
14016lumo(d172, -1.487).
14017lumo(d173, -2.328).
14018lumo(d174, -2.209).
14019lumo(d177, -2.614).
14020lumo(d178, -1.213).
14021lumo(d182, -1.366).
14022lumo(d183, -2.294).
14023lumo(d184, -2.074).
14024lumo(d187, -1.276).
14025lumo(d190, -0.798).
14026lumo(d191, -2.138).
14027lumo(d194, -0.857).
14028lumo(d197, -1.293).
14029lumo(e1, -1.767).
14030lumo(e2, -1.35).
14031lumo(e27, -1.845).
14032lumo(f1, -1.785).
14033lumo(f2, -1.851).
14034lumo(f3, -1.412).
14035lumo(f6, -1.503).
14036lumo(d3, -1.456).
14037lumo(d5, -1.59).
14038lumo(d7, -1.144).
14039lumo(d9, -0.982).
14040lumo(d14, -1.289).
14041lumo(d19, -1.478).
14042lumo(d34, -1.451).
14043lumo(d36, -1.24).
14044lumo(d38, -1.228).
14045lumo(d39, -1.443).
14046lumo(d40, -1.266).
14047lumo(d55, -1.177).
14048lumo(d62, -0.923).
14049lumo(d65, -1.952).
14050lumo(d66, -0.959).
14051lumo(d73, -0.648).
14052lumo(d76, -1.069).
14053lumo(d78, -1.276).
14054lumo(d84, -1.256).
14055lumo(d88, -1.605).
14056lumo(d100, -1.034).
14057lumo(d110, -2.14).
14058lumo(d113, -1.491).
14059lumo(d116, -1.37).
14060lumo(d123, -1.056).
14061lumo(d124, -1.596).
14062lumo(d129, -1.592).
14063lumo(d133, -1.492).
14064lumo(d135, -1.562).
14065lumo(d139, -1.019).
14066lumo(d142, -1.474).
14067lumo(d143, -1.046).
14068lumo(d150, -0.995).
14069lumo(d154, -1.362).
14070lumo(d155, -1.737).
14071lumo(d156, -0.854).
14072lumo(d160, -1.691).
14073lumo(d168, -1.112).
14074lumo(d175, -1.616).
14075lumo(d179, -1.889).
14076lumo(d181, -0.727).
14077lumo(d185, -2.09).
14078lumo(d192, -1.429).
14079lumo(d193, -1.478).
14080lumo(d195, -1.465).
14081lumo(e3, -0.56).
14082lumo(e6, -0.868).
14083lumo(e7, -1.05).
14084lumo(e9, -1.321).
14085lumo(e10, -1.125).
14086lumo(e11, -1.358).
14087lumo(e13, -1.306).
14088lumo(e15, -1.723).
14089lumo(e16, -1.351).
14090lumo(e17, -1.755).
14091lumo(e19, -1.392).
14092lumo(e20, -1.447).
14093lumo(e21, -1.717).
14094lumo(e23, -1.808).
14095lumo(e24, -1.113).
14096benzene(d1,[d1_6,d1_1,d1_2,d1_3,d1_4,d1_5]).
14097benzene(d1,[d1_5,d1_14,d1_13,d1_12,d1_11,d1_4]).
14098benzene(d1,[d1_20,d1_12,d1_11,d1_17,d1_18,d1_19]).
14099ring_size_6(d1,[d1_6,d1_1,d1_2,d1_3,d1_4,d1_5]).
14100ring_size_6(d1,[d1_5,d1_14,d1_13,d1_12,d1_11,d1_4]).
14101ring_size_6(d1,[d1_20,d1_12,d1_11,d1_17,d1_18,d1_19]).
14102nitro(d1,[d1_19,d1_24,d1_25,d1_26]).
14103phenanthrene(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]]).
14104benzene(d4,[d4_6,d4_1,d4_2,d4_3,d4_4,d4_5]).
14105benzene(d4,[d4_9,d4_10,d4_4,d4_3,d4_7,d4_8]).
14106benzene(d4,[d4_16,d4_11,d4_12,d4_13,d4_14,d4_15]).
14107ring_size_6(d4,[d4_6,d4_1,d4_2,d4_3,d4_4,d4_5]).
14108ring_size_6(d4,[d4_9,d4_10,d4_4,d4_3,d4_7,d4_8]).
14109ring_size_6(d4,[d4_16,d4_11,d4_12,d4_13,d4_14,d4_15]).
14110ring_size_5(d4,[d4_5,d4_12,d4_13,d4_10,d4_4]).
14111nitro(d4,[d4_9,d4_17,d4_18,d4_19]).
14112benzene(d6,[d6_6,d6_1,d6_2,d6_3,d6_4,d6_5]).
14113benzene(d6,[d6_9,d6_10,d6_5,d6_4,d6_7,d6_8]).
14114benzene(d6,[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4]).
14115benzene(d6,[d6_8,d6_15,d6_14,d6_16,d6_13,d6_7]).
14116ring_size_6(d6,[d6_6,d6_1,d6_2,d6_3,d6_4,d6_5]).
14117ring_size_6(d6,[d6_9,d6_10,d6_5,d6_4,d6_7,d6_8]).
14118ring_size_6(d6,[d6_7,d6_13,d6_12,d6_11,d6_3,d6_4]).
14119ring_size_6(d6,[d6_8,d6_15,d6_14,d6_16,d6_13,d6_7]).
14120nitro(d6,[d6_16,d6_23,d6_27,d6_28]).
14121nitro(d6,[d6_2,d6_24,d6_29,d6_30]).
14122nitro(d6,[d6_6,d6_33,d6_31,d6_32]).
14123nitro(d6,[d6_15,d6_34,d6_25,d6_26]).
14124phenanthrene(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]]).
14125ball3(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]]).
14126ball3(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]]).
14127benzene(d10,[d10_6,d10_1,d10_2,d10_3,d10_4,d10_5]).
14128benzene(d10,[d10_9,d10_10,d10_11,d10_12,d10_7,d10_8]).
14129ring_size_6(d10,[d10_6,d10_1,d10_2,d10_3,d10_4,d10_5]).
14130ring_size_6(d10,[d10_9,d10_10,d10_11,d10_12,d10_7,d10_8]).
14131ring_size_5(d10,[d10_7,d10_12,d10_4,d10_3,d10_13]).
14132nitro(d10,[d10_1,d10_14,d10_15,d10_16]).
14133benzene(d11,[d11_6,d11_1,d11_2,d11_3,d11_4,d11_5]).
14134benzene(d11,[d11_5,d11_14,d11_13,d11_12,d11_11,d11_4]).
14135benzene(d11,[d11_19,d11_12,d11_11,d11_16,d11_17,d11_18]).
14136ring_size_6(d11,[d11_6,d11_1,d11_2,d11_3,d11_4,d11_5]).
14137ring_size_6(d11,[d11_5,d11_14,d11_13,d11_12,d11_11,d11_4]).
14138ring_size_6(d11,[d11_19,d11_12,d11_11,d11_16,d11_17,d11_18]).
14139nitro(d11,[d11_14,d11_24,d11_25,d11_26]).
14140phenanthrene(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]]).
14141benzene(d12,[d12_6,d12_1,d12_2,d12_3,d12_4,d12_5]).
14142benzene(d12,[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4]).
14143benzene(d12,[d12_9,d12_10,d12_22,d12_21,d12_20,d12_17]).
14144benzene(d12,[d12_9,d12_17,d12_16,d12_15,d12_3,d12_4]).
14145ring_size_6(d12,[d12_6,d12_1,d12_2,d12_3,d12_4,d12_5]).
14146ring_size_6(d12,[d12_9,d12_10,d12_11,d12_12,d12_5,d12_4]).
14147ring_size_6(d12,[d12_9,d12_10,d12_22,d12_21,d12_20,d12_17]).
14148ring_size_6(d12,[d12_9,d12_17,d12_16,d12_15,d12_3,d12_4]).
14149nitro(d12,[d12_6,d12_25,d12_26,d12_27]).
14150phenanthrene(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]]).
14151ball3(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]]).
14152ball3(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]]).
14153benzene(d13,[d13_6,d13_1,d13_2,d13_3,d13_4,d13_5]).
14154benzene(d13,[d13_9,d13_10,d13_4,d13_3,d13_7,d13_8]).
14155benzene(d13,[d13_16,d13_11,d13_12,d13_13,d13_14,d13_15]).
14156ring_size_6(d13,[d13_6,d13_1,d13_2,d13_3,d13_4,d13_5]).
14157ring_size_6(d13,[d13_9,d13_10,d13_4,d13_3,d13_7,d13_8]).
14158ring_size_6(d13,[d13_16,d13_11,d13_12,d13_13,d13_14,d13_15]).
14159ring_size_5(d13,[d13_5,d13_12,d13_13,d13_10,d13_4]).
14160nitro(d13,[d13_8,d13_17,d13_19,d13_20]).
14161nitro(d13,[d13_2,d13_18,d13_21,d13_22]).
14162benzene(d15,[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5]).
14163benzene(d15,[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4]).
14164benzene(d15,[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]).
14165benzene(d15,[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3]).
14166ring_size_6(d15,[d15_6,d15_1,d15_2,d15_3,d15_4,d15_5]).
14167ring_size_6(d15,[d15_5,d15_13,d15_12,d15_11,d15_10,d15_4]).
14168ring_size_6(d15,[d15_23,d15_11,d15_10,d15_18,d15_21,d15_22]).
14169ring_size_6(d15,[d15_4,d15_10,d15_18,d15_17,d15_16,d15_3]).
14170nitro(d15,[d15_23,d15_26,d15_27,d15_28]).
14171phenanthrene(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]]).
14172phenanthrene(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]]).
14173ball3(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]]).
14174ball3(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]]).
14175benzene(d18,[d18_6,d18_1,d18_2,d18_3,d18_4,d18_5]).
14176benzene(d18,[d18_9,d18_10,d18_11,d18_12,d18_7,d18_8]).
14177ring_size_6(d18,[d18_6,d18_1,d18_2,d18_3,d18_4,d18_5]).
14178ring_size_6(d18,[d18_9,d18_10,d18_11,d18_12,d18_7,d18_8]).
14179ring_size_5(d18,[d18_7,d18_12,d18_4,d18_3,d18_13]).
14180nitro(d18,[d18_10,d18_15,d18_16,d18_17]).
14181benzene(d20,[d20_6,d20_1,d20_2,d20_3,d20_4,d20_5]).
14182benzene(d20,[d20_9,d20_10,d20_11,d20_12,d20_7,d20_8]).
14183ring_size_6(d20,[d20_6,d20_1,d20_2,d20_3,d20_4,d20_5]).
14184ring_size_6(d20,[d20_9,d20_10,d20_11,d20_12,d20_7,d20_8]).
14185ring_size_5(d20,[d20_7,d20_12,d20_4,d20_3,d20_13]).
14186nitro(d20,[d20_1,d20_14,d20_15,d20_16]).
14187benzene(d24,[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5]).
14188benzene(d24,[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3]).
14189benzene(d24,[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]).
14190benzene(d24,[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4]).
14191benzene(d24,[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]).
14192benzene(d24,[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]).
14193benzene(d24,[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5]).
14194ring_size_6(d24,[d24_6,d24_1,d24_2,d24_3,d24_4,d24_5]).
14195ring_size_6(d24,[d24_9,d24_10,d24_11,d24_12,d24_4,d24_3]).
14196ring_size_6(d24,[d24_18,d24_12,d24_11,d24_15,d24_16,d24_17]).
14197ring_size_6(d24,[d24_5,d24_29,d24_24,d24_18,d24_12,d24_4]).
14198ring_size_6(d24,[d24_24,d24_18,d24_17,d24_21,d24_22,d24_23]).
14199ring_size_6(d24,[d24_29,d24_24,d24_23,d24_26,d24_27,d24_28]).
14200ring_size_6(d24,[d24_6,d24_33,d24_32,d24_28,d24_29,d24_5]).
14201nitro(d24,[d24_22,d24_36,d24_37,d24_38]).
14202anthracene(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]]).
14203anthracene(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]]).
14204anthracene(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]]).
14205phenanthrene(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]]).
14206phenanthrene(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]]).
14207phenanthrene(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]]).
14208phenanthrene(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]]).
14209phenanthrene(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]]).
14210phenanthrene(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]]).
14211ball3(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]]).
14212ball3(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]]).
14213ball3(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]]).
14214ball3(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]]).
14215ball3(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]]).
14216ball3(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]]).
14217benzene(d25,[d25_6,d25_1,d25_2,d25_3,d25_4,d25_5]).
14218benzene(d25,[d25_9,d25_10,d25_11,d25_12,d25_7,d25_8]).
14219ring_size_6(d25,[d25_6,d25_1,d25_2,d25_3,d25_4,d25_5]).
14220ring_size_6(d25,[d25_9,d25_10,d25_11,d25_12,d25_7,d25_8]).
14221ring_size_5(d25,[d25_7,d25_12,d25_4,d25_3,d25_13]).
14222nitro(d25,[d25_1,d25_15,d25_16,d25_17]).
14223benzene(d26,[d26_6,d26_1,d26_2,d26_3,d26_4,d26_5]).
14224ring_size_6(d26,[d26_6,d26_1,d26_2,d26_3,d26_4,d26_5]).
14225nitro(d26,[d26_4,d26_11,d26_13,d26_14]).
14226nitro(d26,[d26_2,d26_12,d26_15,d26_16]).
14227benzene(d27,[d27_6,d27_1,d27_2,d27_3,d27_4,d27_5]).
14228benzene(d27,[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3]).
14229benzene(d27,[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]).
14230benzene(d27,[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23]).
14231benzene(d27,[d27_29,d27_22,d27_19,d27_18,d27_27,d27_28]).
14232ring_size_6(d27,[d27_6,d27_1,d27_2,d27_3,d27_4,d27_5]).
14233ring_size_6(d27,[d27_4,d27_14,d27_13,d27_12,d27_11,d27_3]).
14234ring_size_6(d27,[d27_19,d27_13,d27_12,d27_16,d27_17,d27_18]).
14235ring_size_6(d27,[d27_24,d27_14,d27_13,d27_19,d27_22,d27_23]).
14236ring_size_6(d27,[d27_29,d27_22,d27_19,d27_18,d27_27,d27_28]).
14237nitro(d27,[d27_29,d27_32,d27_33,d27_34]).
14238anthracene(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]]).
14239phenanthrene(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]]).
14240ball3(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]]).
14241ball3(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]]).
14242benzene(d28,[d28_6,d28_1,d28_2,d28_3,d28_4,d28_5]).
14243benzene(d28,[d28_9,d28_10,d28_11,d28_12,d28_7,d28_8]).
14244ring_size_6(d28,[d28_6,d28_1,d28_2,d28_3,d28_4,d28_5]).
14245ring_size_6(d28,[d28_9,d28_10,d28_11,d28_12,d28_7,d28_8]).
14246ring_size_5(d28,[d28_7,d28_12,d28_4,d28_3,d28_13]).
14247nitro(d28,[d28_1,d28_14,d28_15,d28_16]).
14248benzene(d31,[d31_6,d31_1,d31_2,d31_3,d31_4,d31_5]).
14249benzene(d31,[d31_4,d31_13,d31_12,d31_11,d31_10,d31_3]).
14250benzene(d31,[d31_20,d31_15,d31_16,d31_17,d31_18,d31_19]).
14251ring_size_6(d31,[d31_6,d31_1,d31_2,d31_3,d31_4,d31_5]).
14252ring_size_6(d31,[d31_4,d31_13,d31_12,d31_11,d31_10,d31_3]).
14253ring_size_6(d31,[d31_20,d31_15,d31_16,d31_17,d31_18,d31_19]).
14254ring_size_5(d31,[d31_5,d31_15,d31_16,d31_13,d31_4]).
14255nitro(d31,[d31_12,d31_24,d31_26,d31_27]).
14256nitro(d31,[d31_11,d31_25,d31_28,d31_29]).
14257benzene(d41,[d41_6,d41_1,d41_2,d41_3,d41_4,d41_5]).
14258benzene(d41,[d41_15,d41_10,d41_11,d41_12,d41_13,d41_14]).
14259ring_size_6(d41,[d41_6,d41_1,d41_2,d41_3,d41_4,d41_5]).
14260ring_size_6(d41,[d41_15,d41_10,d41_11,d41_12,d41_13,d41_14]).
14261ring_size_5(d41,[d41_4,d41_15,d41_10,d41_19,d41_3]).
14262nitro(d41,[d41_1,d41_23,d41_24,d41_25]).
14263benzene(d43,[d43_6,d43_1,d43_2,d43_3,d43_4,d43_5]).
14264benzene(d43,[d43_4,d43_13,d43_12,d43_11,d43_10,d43_3]).
14265benzene(d43,[d43_21,d43_16,d43_17,d43_18,d43_19,d43_20]).
14266ring_size_6(d43,[d43_6,d43_1,d43_2,d43_3,d43_4,d43_5]).
14267ring_size_6(d43,[d43_4,d43_13,d43_12,d43_11,d43_10,d43_3]).
14268ring_size_6(d43,[d43_21,d43_16,d43_17,d43_18,d43_19,d43_20]).
14269ring_size_5(d43,[d43_5,d43_16,d43_17,d43_13,d43_4]).
14270nitro(d43,[d43_11,d43_25,d43_26,d43_27]).
14271benzene(d45,[d45_6,d45_1,d45_2,d45_3,d45_4,d45_5]).
14272ring_size_6(d45,[d45_6,d45_1,d45_2,d45_3,d45_4,d45_5]).
14273nitro(d45,[d45_5,d45_11,d45_13,d45_14]).
14274nitro(d45,[d45_2,d45_12,d45_15,d45_16]).
14275benzene(d46,[d46_9,d46_10,d46_4,d46_3,d46_7,d46_8]).
14276benzene(d46,[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14]).
14277benzene(d46,[d46_9,d46_14,d46_13,d46_12,d46_11,d46_8]).
14278benzene(d46,[d46_20,d46_15,d46_14,d46_13,d46_18,d46_19]).
14279carbon_6_ring(d46,[d46_6,d46_1,d46_2,d46_3,d46_4,d46_5]).
14280ring_size_6(d46,[d46_6,d46_1,d46_2,d46_3,d46_4,d46_5]).
14281ring_size_6(d46,[d46_9,d46_10,d46_4,d46_3,d46_7,d46_8]).
14282ring_size_6(d46,[d46_9,d46_10,d46_17,d46_16,d46_15,d46_14]).
14283ring_size_6(d46,[d46_9,d46_14,d46_13,d46_12,d46_11,d46_8]).
14284ring_size_6(d46,[d46_20,d46_15,d46_14,d46_13,d46_18,d46_19]).
14285nitro(d46,[d46_20,d46_21,d46_22,d46_23]).
14286phenanthrene(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]]).
14287ball3(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]]).
14288ball3(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]]).
14289benzene(d48,[d48_6,d48_1,d48_2,d48_3,d48_4,d48_5]).
14290benzene(d48,[d48_4,d48_14,d48_13,d48_12,d48_11,d48_3]).
14291benzene(d48,[d48_20,d48_13,d48_12,d48_17,d48_18,d48_19]).
14292ring_size_6(d48,[d48_6,d48_1,d48_2,d48_3,d48_4,d48_5]).
14293ring_size_6(d48,[d48_4,d48_14,d48_13,d48_12,d48_11,d48_3]).
14294ring_size_6(d48,[d48_20,d48_13,d48_12,d48_17,d48_18,d48_19]).
14295nitro(d48,[d48_19,d48_24,d48_25,d48_26]).
14296anthracene(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]]).
14297benzene(d49,[d49_6,d49_1,d49_2,d49_3,d49_4,d49_5]).
14298benzene(d49,[d49_15,d49_10,d49_11,d49_12,d49_13,d49_14]).
14299ring_size_6(d49,[d49_6,d49_1,d49_2,d49_3,d49_4,d49_5]).
14300ring_size_6(d49,[d49_15,d49_10,d49_11,d49_12,d49_13,d49_14]).
14301ring_size_6(d49,[d49_4,d49_20,d49_15,d49_10,d49_19,d49_3]).
14302nitro(d49,[d49_13,d49_23,d49_25,d49_26]).
14303nitro(d49,[d49_6,d49_24,d49_27,d49_28]).
14304benzene(d50,[d50_6,d50_1,d50_2,d50_3,d50_4,d50_5]).
14305benzene(d50,[d50_4,d50_13,d50_12,d50_11,d50_10,d50_3]).
14306ring_size_6(d50,[d50_6,d50_1,d50_2,d50_3,d50_4,d50_5]).
14307ring_size_6(d50,[d50_4,d50_13,d50_12,d50_11,d50_10,d50_3]).
14308nitro(d50,[d50_12,d50_17,d50_19,d50_20]).
14309nitro(d50,[d50_2,d50_18,d50_21,d50_22]).
14310benzene(d51,[d51_6,d51_1,d51_2,d51_3,d51_4,d51_5]).
14311benzene(d51,[d51_9,d51_10,d51_4,d51_3,d51_7,d51_8]).
14312benzene(d51,[d51_5,d51_13,d51_12,d51_11,d51_10,d51_4]).
14313benzene(d51,[d51_9,d51_10,d51_11,d51_16,d51_15,d51_14]).
14314carbon_6_ring(d51,[d51_20,d51_13,d51_12,d51_17,d51_18,d51_19]).
14315ring_size_6(d51,[d51_6,d51_1,d51_2,d51_3,d51_4,d51_5]).
14316ring_size_6(d51,[d51_9,d51_10,d51_4,d51_3,d51_7,d51_8]).
14317ring_size_6(d51,[d51_5,d51_13,d51_12,d51_11,d51_10,d51_4]).
14318ring_size_6(d51,[d51_9,d51_10,d51_11,d51_16,d51_15,d51_14]).
14319ring_size_6(d51,[d51_20,d51_13,d51_12,d51_17,d51_18,d51_19]).
14320nitro(d51,[d51_16,d51_21,d51_23,d51_24]).
14321nitro(d51,[d51_2,d51_22,d51_25,d51_26]).
14322ball3(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]]).
14323ball3(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]]).
14324benzene(d52,[d52_6,d52_1,d52_2,d52_3,d52_4,d52_5]).
14325benzene(d52,[d52_9,d52_10,d52_4,d52_3,d52_7,d52_8]).
14326benzene(d52,[d52_5,d52_13,d52_12,d52_11,d52_10,d52_4]).
14327benzene(d52,[d52_9,d52_10,d52_11,d52_16,d52_15,d52_14]).
14328carbon_6_ring(d52,[d52_20,d52_13,d52_12,d52_17,d52_18,d52_19]).
14329ring_size_6(d52,[d52_6,d52_1,d52_2,d52_3,d52_4,d52_5]).
14330ring_size_6(d52,[d52_9,d52_10,d52_4,d52_3,d52_7,d52_8]).
14331ring_size_6(d52,[d52_5,d52_13,d52_12,d52_11,d52_10,d52_4]).
14332ring_size_6(d52,[d52_9,d52_10,d52_11,d52_16,d52_15,d52_14]).
14333ring_size_6(d52,[d52_20,d52_13,d52_12,d52_17,d52_18,d52_19]).
14334nitro(d52,[d52_16,d52_21,d52_22,d52_23]).
14335nitro(d52,[d52_14,d52_24,d52_25,d52_26]).
14336ball3(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]]).
14337ball3(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]]).
14338benzene(d53,[d53_6,d53_1,d53_2,d53_3,d53_4,d53_5]).
14339benzene(d53,[d53_15,d53_10,d53_11,d53_12,d53_13,d53_14]).
14340ring_size_6(d53,[d53_6,d53_1,d53_2,d53_3,d53_4,d53_5]).
14341ring_size_6(d53,[d53_15,d53_10,d53_11,d53_12,d53_13,d53_14]).
14342ring_size_5(d53,[d53_4,d53_15,d53_10,d53_19,d53_3]).
14343nitro(d53,[d53_12,d53_22,d53_24,d53_25]).
14344nitro(d53,[d53_1,d53_23,d53_26,d53_27]).
14345benzene(d54,[d54_6,d54_1,d54_2,d54_3,d54_4,d54_5]).
14346benzene(d54,[d54_15,d54_10,d54_11,d54_12,d54_13,d54_14]).
14347ring_size_6(d54,[d54_6,d54_1,d54_2,d54_3,d54_4,d54_5]).
14348ring_size_6(d54,[d54_15,d54_10,d54_11,d54_12,d54_13,d54_14]).
14349ring_size_6(d54,[d54_4,d54_19,d54_15,d54_10,d54_18,d54_3]).
14350nitro(d54,[d54_1,d54_20,d54_21,d54_22]).
14351benzene(d56,[d56_6,d56_1,d56_2,d56_3,d56_4,d56_5]).
14352benzene(d56,[d56_16,d56_11,d56_12,d56_13,d56_14,d56_15]).
14353ring_size_6(d56,[d56_6,d56_1,d56_2,d56_3,d56_4,d56_5]).
14354ring_size_6(d56,[d56_16,d56_11,d56_12,d56_13,d56_14,d56_15]).
14355ring_size_6(d56,[d56_4,d56_21,d56_16,d56_11,d56_20,d56_3]).
14356nitro(d56,[d56_14,d56_24,d56_25,d56_26]).
14357benzene(d57,[d57_6,d57_1,d57_2,d57_3,d57_4,d57_5]).
14358benzene(d57,[d57_16,d57_11,d57_12,d57_13,d57_14,d57_15]).
14359ring_size_6(d57,[d57_6,d57_1,d57_2,d57_3,d57_4,d57_5]).
14360ring_size_6(d57,[d57_16,d57_11,d57_12,d57_13,d57_14,d57_15]).
14361nitro(d57,[d57_16,d57_20,d57_23,d57_24]).
14362nitro(d57,[d57_14,d57_21,d57_25,d57_26]).
14363nitro(d57,[d57_1,d57_22,d57_27,d57_28]).
14364benzene(d58,[d58_6,d58_1,d58_2,d58_3,d58_4,d58_5]).
14365benzene(d58,[d58_9,d58_10,d58_4,d58_3,d58_7,d58_8]).
14366benzene(d58,[d58_9,d58_10,d58_11,d58_16,d58_15,d58_14]).
14367carbon_6_ring(d58,[d58_5,d58_13,d58_12,d58_11,d58_10,d58_4]).
14368ring_size_6(d58,[d58_6,d58_1,d58_2,d58_3,d58_4,d58_5]).
14369ring_size_6(d58,[d58_9,d58_10,d58_4,d58_3,d58_7,d58_8]).
14370ring_size_6(d58,[d58_5,d58_13,d58_12,d58_11,d58_10,d58_4]).
14371ring_size_6(d58,[d58_9,d58_10,d58_11,d58_16,d58_15,d58_14]).
14372nitro(d58,[d58_14,d58_17,d58_18,d58_19]).
14373benzene(d59,[d59_6,d59_1,d59_2,d59_3,d59_4,d59_5]).
14374benzene(d59,[d59_9,d59_10,d59_3,d59_2,d59_7,d59_8]).
14375benzene(d59,[d59_9,d59_10,d59_14,d59_13,d59_12,d59_11]).
14376benzene(d59,[d59_18,d59_13,d59_12,d59_15,d59_16,d59_17]).
14377carbon_5_aromatic_ring(d59,[d59_20,d59_18,d59_13,d59_14,d59_19]).
14378ring_size_6(d59,[d59_6,d59_1,d59_2,d59_3,d59_4,d59_5]).
14379ring_size_6(d59,[d59_9,d59_10,d59_3,d59_2,d59_7,d59_8]).
14380ring_size_6(d59,[d59_9,d59_10,d59_14,d59_13,d59_12,d59_11]).
14381ring_size_6(d59,[d59_18,d59_13,d59_12,d59_15,d59_16,d59_17]).
14382ring_size_5(d59,[d59_20,d59_18,d59_13,d59_14,d59_19]).
14383nitro(d59,[d59_20,d59_32,d59_33,d59_34]).
14384anthracene(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]]).
14385benzene(d60,[d60_6,d60_1,d60_2,d60_3,d60_4,d60_5]).
14386benzene(d60,[d60_4,d60_13,d60_12,d60_11,d60_10,d60_3]).
14387ring_size_6(d60,[d60_6,d60_1,d60_2,d60_3,d60_4,d60_5]).
14388ring_size_6(d60,[d60_4,d60_13,d60_12,d60_11,d60_10,d60_3]).
14389nitro(d60,[d60_13,d60_16,d60_21,d60_22]).
14390nitro(d60,[d60_11,d60_17,d60_23,d60_24]).
14391nitro(d60,[d60_5,d60_18,d60_19,d60_20]).
14392benzene(d61,[d61_6,d61_1,d61_2,d61_3,d61_4,d61_5]).
14393benzene(d61,[d61_15,d61_10,d61_11,d61_12,d61_13,d61_14]).
14394ring_size_6(d61,[d61_6,d61_1,d61_2,d61_3,d61_4,d61_5]).
14395ring_size_6(d61,[d61_15,d61_10,d61_11,d61_12,d61_13,d61_14]).
14396ring_size_5(d61,[d61_4,d61_15,d61_10,d61_19,d61_3]).
14397nitro(d61,[d61_1,d61_23,d61_24,d61_25]).
14398carbon_5_aromatic_ring(d63,[d63_20,d63_16,d63_17,d63_18,d63_19]).
14399hetero_aromatic_5_ring(d63,[d63_5,d63_1,d63_2,d63_3,d63_4]).
14400ring_size_5(d63,[d63_5,d63_1,d63_2,d63_3,d63_4]).
14401ring_size_5(d63,[d63_20,d63_16,d63_17,d63_18,d63_19]).
14402nitro(d63,[d63_1,d63_6,d63_7,d63_8]).
14403nitro(d63,[d63_19,d63_21,d63_22,d63_23]).
14404benzene(d64,[d64_6,d64_1,d64_2,d64_3,d64_4,d64_5]).
14405benzene(d64,[d64_15,d64_10,d64_11,d64_12,d64_13,d64_14]).
14406ring_size_6(d64,[d64_6,d64_1,d64_2,d64_3,d64_4,d64_5]).
14407ring_size_6(d64,[d64_15,d64_10,d64_11,d64_12,d64_13,d64_14]).
14408ring_size_5(d64,[d64_4,d64_15,d64_10,d64_19,d64_3]).
14409nitro(d64,[d64_12,d64_20,d64_24,d64_25]).
14410nitro(d64,[d64_1,d64_21,d64_22,d64_23]).
14411benzene(d67,[d67_6,d67_1,d67_2,d67_3,d67_4,d67_5]).
14412benzene(d67,[d67_4,d67_13,d67_12,d67_11,d67_10,d67_3]).
14413benzene(d67,[d67_20,d67_15,d67_16,d67_17,d67_18,d67_19]).
14414ring_size_6(d67,[d67_6,d67_1,d67_2,d67_3,d67_4,d67_5]).
14415ring_size_6(d67,[d67_4,d67_13,d67_12,d67_11,d67_10,d67_3]).
14416ring_size_6(d67,[d67_20,d67_15,d67_16,d67_17,d67_18,d67_19]).
14417ring_size_5(d67,[d67_5,d67_15,d67_16,d67_13,d67_4]).
14418nitro(d67,[d67_12,d67_24,d67_26,d67_27]).
14419benzene(d68,[d68_6,d68_1,d68_2,d68_3,d68_4,d68_5]).
14420benzene(d68,[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3]).
14421benzene(d68,[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]).
14422benzene(d68,[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23]).
14423benzene(d68,[d68_29,d68_22,d68_19,d68_18,d68_27,d68_28]).
14424ring_size_6(d68,[d68_6,d68_1,d68_2,d68_3,d68_4,d68_5]).
14425ring_size_6(d68,[d68_4,d68_14,d68_13,d68_12,d68_11,d68_3]).
14426ring_size_6(d68,[d68_19,d68_13,d68_12,d68_16,d68_17,d68_18]).
14427ring_size_6(d68,[d68_24,d68_14,d68_13,d68_19,d68_22,d68_23]).
14428ring_size_6(d68,[d68_29,d68_22,d68_19,d68_18,d68_27,d68_28]).
14429nitro(d68,[d68_27,d68_32,d68_33,d68_34]).
14430anthracene(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]]).
14431phenanthrene(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]]).
14432ball3(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]]).
14433ball3(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]]).
14434benzene(d69,[d69_6,d69_1,d69_2,d69_3,d69_4,d69_5]).
14435benzene(d69,[d69_15,d69_10,d69_11,d69_12,d69_13,d69_14]).
14436ring_size_6(d69,[d69_6,d69_1,d69_2,d69_3,d69_4,d69_5]).
14437ring_size_6(d69,[d69_15,d69_10,d69_11,d69_12,d69_13,d69_14]).
14438ring_size_5(d69,[d69_4,d69_15,d69_10,d69_19,d69_3]).
14439nitro(d69,[d69_12,d69_22,d69_26,d69_27]).
14440nitro(d69,[d69_5,d69_23,d69_24,d69_25]).
14441benzene(d71,[d71_6,d71_1,d71_2,d71_3,d71_4,d71_5]).
14442benzene(d71,[d71_9,d71_10,d71_4,d71_3,d71_7,d71_8]).
14443benzene(d71,[d71_5,d71_13,d71_12,d71_11,d71_10,d71_4]).
14444benzene(d71,[d71_9,d71_10,d71_11,d71_16,d71_15,d71_14]).
14445carbon_6_ring(d71,[d71_20,d71_13,d71_12,d71_17,d71_18,d71_19]).
14446ring_size_6(d71,[d71_6,d71_1,d71_2,d71_3,d71_4,d71_5]).
14447ring_size_6(d71,[d71_9,d71_10,d71_4,d71_3,d71_7,d71_8]).
14448ring_size_6(d71,[d71_5,d71_13,d71_12,d71_11,d71_10,d71_4]).
14449ring_size_6(d71,[d71_9,d71_10,d71_11,d71_16,d71_15,d71_14]).
14450ring_size_6(d71,[d71_20,d71_13,d71_12,d71_17,d71_18,d71_19]).
14451nitro(d71,[d71_16,d71_21,d71_23,d71_24]).
14452nitro(d71,[d71_6,d71_22,d71_25,d71_26]).
14453ball3(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]]).
14454ball3(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]]).
14455benzene(d72,[d72_6,d72_1,d72_2,d72_3,d72_4,d72_5]).
14456benzene(d72,[d72_16,d72_11,d72_12,d72_13,d72_14,d72_15]).
14457ring_size_6(d72,[d72_6,d72_1,d72_2,d72_3,d72_4,d72_5]).
14458ring_size_6(d72,[d72_16,d72_11,d72_12,d72_13,d72_14,d72_15]).
14459ring_size_5(d72,[d72_4,d72_16,d72_11,d72_20,d72_3]).
14460nitro(d72,[d72_13,d72_23,d72_24,d72_25]).
14461benzene(d75,[d75_6,d75_1,d75_2,d75_3,d75_4,d75_5]).
14462benzene(d75,[d75_16,d75_11,d75_12,d75_13,d75_14,d75_15]).
14463ring_size_6(d75,[d75_6,d75_1,d75_2,d75_3,d75_4,d75_5]).
14464ring_size_6(d75,[d75_16,d75_11,d75_12,d75_13,d75_14,d75_15]).
14465nitro(d75,[d75_14,d75_21,d75_23,d75_24]).
14466nitro(d75,[d75_1,d75_22,d75_25,d75_26]).
14467benzene(d79,[d79_6,d79_1,d79_2,d79_3,d79_4,d79_5]).
14468benzene(d79,[d79_16,d79_11,d79_12,d79_13,d79_14,d79_15]).
14469ring_size_6(d79,[d79_6,d79_1,d79_2,d79_3,d79_4,d79_5]).
14470ring_size_6(d79,[d79_16,d79_11,d79_12,d79_13,d79_14,d79_15]).
14471ring_size_6(d79,[d79_4,d79_21,d79_16,d79_11,d79_20,d79_3]).
14472nitro(d79,[d79_14,d79_22,d79_23,d79_24]).
14473benzene(d80,[d80_6,d80_1,d80_2,d80_3,d80_4,d80_5]).
14474benzene(d80,[d80_4,d80_13,d80_12,d80_11,d80_10,d80_3]).
14475benzene(d80,[d80_22,d80_17,d80_18,d80_19,d80_20,d80_21]).
14476ring_size_6(d80,[d80_6,d80_1,d80_2,d80_3,d80_4,d80_5]).
14477ring_size_6(d80,[d80_4,d80_13,d80_12,d80_11,d80_10,d80_3]).
14478ring_size_6(d80,[d80_22,d80_17,d80_18,d80_19,d80_20,d80_21]).
14479ring_size_5(d80,[d80_5,d80_17,d80_18,d80_13,d80_4]).
14480nitro(d80,[d80_22,d80_26,d80_27,d80_28]).
14481benzene(d82,[d82_6,d82_1,d82_2,d82_3,d82_4,d82_5]).
14482benzene(d82,[d82_9,d82_10,d82_11,d82_12,d82_4,d82_3]).
14483benzene(d82,[d82_19,d82_14,d82_15,d82_16,d82_17,d82_18]).
14484ring_size_6(d82,[d82_6,d82_1,d82_2,d82_3,d82_4,d82_5]).
14485ring_size_6(d82,[d82_9,d82_10,d82_11,d82_12,d82_4,d82_3]).
14486ring_size_6(d82,[d82_19,d82_14,d82_15,d82_16,d82_17,d82_18]).
14487ring_size_5(d82,[d82_5,d82_14,d82_15,d82_12,d82_4]).
14488nitro(d82,[d82_11,d82_24,d82_27,d82_28]).
14489nitro(d82,[d82_10,d82_25,d82_29,d82_30]).
14490nitro(d82,[d82_2,d82_26,d82_31,d82_32]).
14491benzene(d83,[d83_6,d83_1,d83_2,d83_3,d83_4,d83_5]).
14492benzene(d83,[d83_9,d83_10,d83_11,d83_12,d83_7,d83_8]).
14493hetero_aromatic_5_ring(d83,[d83_7,d83_12,d83_4,d83_3,d83_13]).
14494ring_size_6(d83,[d83_6,d83_1,d83_2,d83_3,d83_4,d83_5]).
14495ring_size_6(d83,[d83_9,d83_10,d83_11,d83_12,d83_7,d83_8]).
14496ring_size_5(d83,[d83_7,d83_12,d83_4,d83_3,d83_13]).
14497nitro(d83,[d83_9,d83_14,d83_15,d83_16]).
14498benzene(d86,[d86_6,d86_1,d86_2,d86_3,d86_4,d86_5]).
14499benzene(d86,[d86_9,d86_10,d86_5,d86_4,d86_7,d86_8]).
14500benzene(d86,[d86_8,d86_14,d86_13,d86_12,d86_11,d86_7]).
14501benzene(d86,[d86_18,d86_13,d86_12,d86_15,d86_16,d86_17]).
14502carbon_5_aromatic_ring(d86,[d86_9,d86_19,d86_20,d86_14,d86_8]).
14503ring_size_6(d86,[d86_6,d86_1,d86_2,d86_3,d86_4,d86_5]).
14504ring_size_6(d86,[d86_9,d86_10,d86_5,d86_4,d86_7,d86_8]).
14505ring_size_6(d86,[d86_8,d86_14,d86_13,d86_12,d86_11,d86_7]).
14506ring_size_6(d86,[d86_18,d86_13,d86_12,d86_15,d86_16,d86_17]).
14507ring_size_5(d86,[d86_9,d86_19,d86_20,d86_14,d86_8]).
14508nitro(d86,[d86_10,d86_32,d86_33,d86_34]).
14509anthracene(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]]).
14510benzene(d87,[d87_6,d87_1,d87_2,d87_3,d87_4,d87_5]).
14511benzene(d87,[d87_9,d87_10,d87_11,d87_12,d87_7,d87_8]).
14512hetero_aromatic_5_ring(d87,[d87_7,d87_12,d87_4,d87_3,d87_13]).
14513ring_size_6(d87,[d87_6,d87_1,d87_2,d87_3,d87_4,d87_5]).
14514ring_size_6(d87,[d87_9,d87_10,d87_11,d87_12,d87_7,d87_8]).
14515ring_size_5(d87,[d87_7,d87_12,d87_4,d87_3,d87_13]).
14516nitro(d87,[d87_9,d87_14,d87_15,d87_16]).
14517benzene(d90,[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5]).
14518benzene(d90,[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3]).
14519benzene(d90,[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]).
14520benzene(d90,[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4]).
14521benzene(d90,[d90_27,d90_18,d90_17,d90_24,d90_25,d90_26]).
14522ring_size_6(d90,[d90_6,d90_1,d90_2,d90_3,d90_4,d90_5]).
14523ring_size_6(d90,[d90_4,d90_13,d90_12,d90_11,d90_10,d90_3]).
14524ring_size_6(d90,[d90_21,d90_16,d90_13,d90_12,d90_19,d90_20]).
14525ring_size_6(d90,[d90_5,d90_18,d90_17,d90_16,d90_13,d90_4]).
14526ring_size_6(d90,[d90_27,d90_18,d90_17,d90_24,d90_25,d90_26]).
14527nitro(d90,[d90_21,d90_32,d90_33,d90_34]).
14528phenanthrene(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]]).
14529phenanthrene(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]]).
14530phenanthrene(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]]).
14531ball3(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]]).
14532ball3(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]]).
14533benzene(d94,[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5]).
14534benzene(d94,[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3]).
14535benzene(d94,[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]).
14536benzene(d94,[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4]).
14537ring_size_6(d94,[d94_6,d94_1,d94_2,d94_3,d94_4,d94_5]).
14538ring_size_6(d94,[d94_4,d94_13,d94_12,d94_11,d94_10,d94_3]).
14539ring_size_6(d94,[d94_22,d94_15,d94_13,d94_12,d94_20,d94_21]).
14540ring_size_6(d94,[d94_5,d94_17,d94_16,d94_15,d94_13,d94_4]).
14541nitro(d94,[d94_11,d94_26,d94_27,d94_28]).
14542phenanthrene(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]]).
14543phenanthrene(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]]).
14544ball3(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]]).
14545ball3(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]]).
14546benzene(d95,[d95_6,d95_1,d95_2,d95_3,d95_4,d95_5]).
14547benzene(d95,[d95_4,d95_13,d95_12,d95_11,d95_10,d95_3]).
14548ring_size_6(d95,[d95_6,d95_1,d95_2,d95_3,d95_4,d95_5]).
14549ring_size_6(d95,[d95_4,d95_13,d95_12,d95_11,d95_10,d95_3]).
14550nitro(d95,[d95_12,d95_16,d95_19,d95_20]).
14551nitro(d95,[d95_11,d95_17,d95_21,d95_22]).
14552nitro(d95,[d95_2,d95_18,d95_23,d95_24]).
14553benzene(d96,[d96_6,d96_1,d96_2,d96_3,d96_4,d96_5]).
14554benzene(d96,[d96_9,d96_10,d96_11,d96_12,d96_4,d96_3]).
14555benzene(d96,[d96_22,d96_15,d96_12,d96_11,d96_20,d96_21]).
14556benzene(d96,[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4]).
14557ring_size_6(d96,[d96_6,d96_1,d96_2,d96_3,d96_4,d96_5]).
14558ring_size_6(d96,[d96_9,d96_10,d96_11,d96_12,d96_4,d96_3]).
14559ring_size_6(d96,[d96_22,d96_15,d96_12,d96_11,d96_20,d96_21]).
14560ring_size_6(d96,[d96_5,d96_17,d96_16,d96_15,d96_12,d96_4]).
14561nitro(d96,[d96_22,d96_24,d96_27,d96_28]).
14562nitro(d96,[d96_20,d96_25,d96_29,d96_30]).
14563nitro(d96,[d96_2,d96_26,d96_31,d96_32]).
14564phenanthrene(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]]).
14565ball3(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]]).
14566ball3(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]]).
14567benzene(d101,[d101_6,d101_1,d101_2,d101_3,d101_4,d101_5]).
14568benzene(d101,[d101_9,d101_10,d101_4,d101_3,d101_7,d101_8]).
14569benzene(d101,[d101_5,d101_13,d101_12,d101_11,d101_10,d101_4]).
14570benzene(d101,[d101_9,d101_10,d101_11,d101_16,d101_15,d101_14]).
14571carbon_6_ring(d101,[d101_20,d101_13,d101_12,d101_17,d101_18,d101_19]).
14572ring_size_6(d101,[d101_6,d101_1,d101_2,d101_3,d101_4,d101_5]).
14573ring_size_6(d101,[d101_9,d101_10,d101_4,d101_3,d101_7,d101_8]).
14574ring_size_6(d101,[d101_5,d101_13,d101_12,d101_11,d101_10,d101_4]).
14575ring_size_6(d101,[d101_9,d101_10,d101_11,d101_16,d101_15,d101_14]).
14576ring_size_6(d101,[d101_20,d101_13,d101_12,d101_17,d101_18,d101_19]).
14577nitro(d101,[d101_14,d101_21,d101_22,d101_23]).
14578ball3(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]]).
14579ball3(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]]).
14580benzene(d104,[d104_6,d104_1,d104_2,d104_3,d104_4,d104_5]).
14581benzene(d104,[d104_9,d104_10,d104_4,d104_3,d104_7,d104_8]).
14582benzene(d104,[d104_5,d104_13,d104_12,d104_11,d104_10,d104_4]).
14583benzene(d104,[d104_9,d104_10,d104_11,d104_16,d104_15,d104_14]).
14584carbon_6_ring(d104,[d104_20,d104_13,d104_12,d104_17,d104_18,d104_19]).
14585ring_size_6(d104,[d104_6,d104_1,d104_2,d104_3,d104_4,d104_5]).
14586ring_size_6(d104,[d104_9,d104_10,d104_4,d104_3,d104_7,d104_8]).
14587ring_size_6(d104,[d104_5,d104_13,d104_12,d104_11,d104_10,d104_4]).
14588ring_size_6(d104,[d104_9,d104_10,d104_11,d104_16,d104_15,d104_14]).
14589ring_size_6(d104,[d104_20,d104_13,d104_12,d104_17,d104_18,d104_19]).
14590nitro(d104,[d104_16,d104_21,d104_22,d104_23]).
14591ball3(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]]).
14592ball3(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]]).
14593benzene(d105,[d105_6,d105_1,d105_2,d105_3,d105_4,d105_5]).
14594hetero_aromatic_6_ring(d105,[d105_5,d105_13,d105_12,d105_11,d105_10,d105_4]).
14595hetero_aromatic_6_ring(d105,[d105_18,d105_11,d105_10,d105_15,d105_16,d105_17]).
14596ring_size_6(d105,[d105_6,d105_1,d105_2,d105_3,d105_4,d105_5]).
14597ring_size_6(d105,[d105_5,d105_13,d105_12,d105_11,d105_10,d105_4]).
14598ring_size_6(d105,[d105_18,d105_11,d105_10,d105_15,d105_16,d105_17]).
14599nitro(d105,[d105_3,d105_22,d105_23,d105_24]).
14600benzene(d107,[d107_6,d107_1,d107_2,d107_3,d107_4,d107_5]).
14601benzene(d107,[d107_9,d107_10,d107_11,d107_12,d107_4,d107_3]).
14602benzene(d107,[d107_19,d107_14,d107_15,d107_16,d107_17,d107_18]).
14603ring_size_6(d107,[d107_6,d107_1,d107_2,d107_3,d107_4,d107_5]).
14604ring_size_6(d107,[d107_9,d107_10,d107_11,d107_12,d107_4,d107_3]).
14605ring_size_6(d107,[d107_19,d107_14,d107_15,d107_16,d107_17,d107_18]).
14606ring_size_5(d107,[d107_5,d107_14,d107_15,d107_12,d107_4]).
14607nitro(d107,[d107_10,d107_24,d107_31,d107_32]).
14608nitro(d107,[d107_9,d107_25,d107_29,d107_30]).
14609nitro(d107,[d107_1,d107_26,d107_27,d107_28]).
14610benzene(d109,[d109_6,d109_1,d109_2,d109_3,d109_4,d109_5]).
14611benzene(d109,[d109_9,d109_10,d109_15,d109_19,d109_18,d109_14]).
14612benzene(d109,[d109_6,d109_17,d109_16,d109_15,d109_10,d109_5]).
14613benzene(d109,[d109_9,d109_14,d109_13,d109_12,d109_11,d109_8]).
14614benzene(d109,[d109_8,d109_11,d109_22,d109_21,d109_20,d109_7]).
14615carbon_6_ring(d109,[d109_9,d109_10,d109_5,d109_4,d109_7,d109_8]).
14616ring_size_6(d109,[d109_6,d109_1,d109_2,d109_3,d109_4,d109_5]).
14617ring_size_6(d109,[d109_9,d109_10,d109_5,d109_4,d109_7,d109_8]).
14618ring_size_6(d109,[d109_9,d109_10,d109_15,d109_19,d109_18,d109_14]).
14619ring_size_6(d109,[d109_6,d109_17,d109_16,d109_15,d109_10,d109_5]).
14620ring_size_6(d109,[d109_9,d109_14,d109_13,d109_12,d109_11,d109_8]).
14621ring_size_6(d109,[d109_8,d109_11,d109_22,d109_21,d109_20,d109_7]).
14622nitro(d109,[d109_22,d109_23,d109_25,d109_26]).
14623nitro(d109,[d109_1,d109_24,d109_27,d109_28]).
14624phenanthrene(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]]).
14625phenanthrene(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]]).
14626benzene(d112,[d112_6,d112_1,d112_2,d112_3,d112_4,d112_5]).
14627benzene(d112,[d112_4,d112_13,d112_12,d112_11,d112_10,d112_3]).
14628ring_size_6(d112,[d112_6,d112_1,d112_2,d112_3,d112_4,d112_5]).
14629ring_size_6(d112,[d112_4,d112_13,d112_12,d112_11,d112_10,d112_3]).
14630ring_size_5(d112,[d112_5,d112_16,d112_17,d112_13,d112_4]).
14631nitro(d112,[d112_12,d112_22,d112_23,d112_24]).
14632benzene(d115,[d115_6,d115_1,d115_2,d115_3,d115_4,d115_5]).
14633ring_size_6(d115,[d115_6,d115_1,d115_2,d115_3,d115_4,d115_5]).
14634ring_size_5(d115,[d115_4,d115_14,d115_11,d115_10,d115_3]).
14635nitro(d115,[d115_6,d115_17,d115_18,d115_19]).
14636benzene(d117,[d117_6,d117_1,d117_2,d117_3,d117_4,d117_5]).
14637benzene(d117,[d117_16,d117_11,d117_12,d117_13,d117_14,d117_15]).
14638ring_size_6(d117,[d117_6,d117_1,d117_2,d117_3,d117_4,d117_5]).
14639ring_size_6(d117,[d117_16,d117_11,d117_12,d117_13,d117_14,d117_15]).
14640nitro(d117,[d117_16,d117_20,d117_25,d117_26]).
14641nitro(d117,[d117_14,d117_21,d117_27,d117_28]).
14642nitro(d117,[d117_6,d117_22,d117_23,d117_24]).
14643benzene(d122,[d122_6,d122_1,d122_2,d122_3,d122_4,d122_5]).
14644benzene(d122,[d122_4,d122_14,d122_13,d122_12,d122_11,d122_3]).
14645benzene(d122,[d122_19,d122_14,d122_13,d122_16,d122_17,d122_18]).
14646benzene(d122,[d122_25,d122_17,d122_16,d122_22,d122_23,d122_24]).
14647ring_size_6(d122,[d122_6,d122_1,d122_2,d122_3,d122_4,d122_5]).
14648ring_size_6(d122,[d122_4,d122_14,d122_13,d122_12,d122_11,d122_3]).
14649ring_size_6(d122,[d122_19,d122_14,d122_13,d122_16,d122_17,d122_18]).
14650ring_size_6(d122,[d122_25,d122_17,d122_16,d122_22,d122_23,d122_24]).
14651nitro(d122,[d122_11,d122_30,d122_31,d122_32]).
14652phenanthrene(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]]).
14653benzene(d125,[d125_6,d125_1,d125_2,d125_3,d125_4,d125_5]).
14654benzene(d125,[d125_5,d125_13,d125_12,d125_11,d125_10,d125_4]).
14655benzene(d125,[d125_9,d125_10,d125_11,d125_16,d125_15,d125_14]).
14656carbon_6_ring(d125,[d125_9,d125_10,d125_4,d125_3,d125_7,d125_8]).
14657ring_size_6(d125,[d125_6,d125_1,d125_2,d125_3,d125_4,d125_5]).
14658ring_size_6(d125,[d125_9,d125_10,d125_4,d125_3,d125_7,d125_8]).
14659ring_size_6(d125,[d125_5,d125_13,d125_12,d125_11,d125_10,d125_4]).
14660ring_size_6(d125,[d125_9,d125_10,d125_11,d125_16,d125_15,d125_14]).
14661nitro(d125,[d125_15,d125_17,d125_29,d125_30]).
14662benzene(d126,[d126_6,d126_1,d126_2,d126_3,d126_4,d126_5]).
14663benzene(d126,[d126_17,d126_12,d126_11,d126_14,d126_15,d126_16]).
14664ring_size_6(d126,[d126_6,d126_1,d126_2,d126_3,d126_4,d126_5]).
14665ring_size_6(d126,[d126_4,d126_13,d126_12,d126_11,d126_10,d126_3]).
14666ring_size_6(d126,[d126_17,d126_12,d126_11,d126_14,d126_15,d126_16]).
14667nitro(d126,[d126_17,d126_23,d126_25,d126_26]).
14668nitro(d126,[d126_1,d126_24,d126_27,d126_28]).
14669benzene(d127,[d127_6,d127_1,d127_2,d127_3,d127_4,d127_5]).
14670benzene(d127,[d127_16,d127_11,d127_12,d127_13,d127_14,d127_15]).
14671ring_size_6(d127,[d127_6,d127_1,d127_2,d127_3,d127_4,d127_5]).
14672ring_size_6(d127,[d127_16,d127_11,d127_12,d127_13,d127_14,d127_15]).
14673nitro(d127,[d127_15,d127_20,d127_23,d127_24]).
14674nitro(d127,[d127_6,d127_21,d127_27,d127_28]).
14675nitro(d127,[d127_14,d127_22,d127_25,d127_26]).
14676benzene(d128,[d128_6,d128_1,d128_2,d128_3,d128_4,d128_5]).
14677benzene(d128,[d128_9,d128_10,d128_4,d128_3,d128_7,d128_8]).
14678carbon_5_aromatic_ring(d128,[d128_5,d128_11,d128_12,d128_10,d128_4]).
14679ring_size_6(d128,[d128_6,d128_1,d128_2,d128_3,d128_4,d128_5]).
14680ring_size_6(d128,[d128_9,d128_10,d128_4,d128_3,d128_7,d128_8]).
14681ring_size_5(d128,[d128_5,d128_11,d128_12,d128_10,d128_4]).
14682nitro(d128,[d128_7,d128_20,d128_21,d128_22]).
14683benzene(d136,[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5]).
14684benzene(d136,[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3]).
14685benzene(d136,[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]).
14686benzene(d136,[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4]).
14687ring_size_6(d136,[d136_6,d136_1,d136_2,d136_3,d136_4,d136_5]).
14688ring_size_6(d136,[d136_4,d136_13,d136_12,d136_11,d136_10,d136_3]).
14689ring_size_6(d136,[d136_23,d136_16,d136_13,d136_12,d136_21,d136_22]).
14690ring_size_6(d136,[d136_5,d136_18,d136_17,d136_16,d136_13,d136_4]).
14691nitro(d136,[d136_21,d136_26,d136_27,d136_28]).
14692phenanthrene(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]]).
14693phenanthrene(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]]).
14694ball3(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]]).
14695ball3(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]]).
14696benzene(d137,[d137_6,d137_1,d137_2,d137_3,d137_4,d137_5]).
14697benzene(d137,[d137_4,d137_13,d137_12,d137_11,d137_10,d137_3]).
14698benzene(d137,[d137_20,d137_15,d137_16,d137_17,d137_18,d137_19]).
14699ring_size_6(d137,[d137_6,d137_1,d137_2,d137_3,d137_4,d137_5]).
14700ring_size_6(d137,[d137_4,d137_13,d137_12,d137_11,d137_10,d137_3]).
14701ring_size_6(d137,[d137_20,d137_15,d137_16,d137_17,d137_18,d137_19]).
14702ring_size_5(d137,[d137_5,d137_15,d137_16,d137_13,d137_4]).
14703nitro(d137,[d137_11,d137_25,d137_27,d137_28]).
14704nitro(d137,[d137_10,d137_26,d137_29,d137_30]).
14705benzene(d140,[d140_6,d140_1,d140_2,d140_3,d140_4,d140_5]).
14706benzene(d140,[d140_4,d140_13,d140_12,d140_11,d140_10,d140_3]).
14707ring_size_6(d140,[d140_6,d140_1,d140_2,d140_3,d140_4,d140_5]).
14708ring_size_6(d140,[d140_4,d140_13,d140_12,d140_11,d140_10,d140_3]).
14709nitro(d140,[d140_13,d140_17,d140_21,d140_22]).
14710nitro(d140,[d140_5,d140_18,d140_19,d140_20]).
14711benzene(d146,[d146_6,d146_1,d146_2,d146_3,d146_4,d146_5]).
14712benzene(d146,[d146_16,d146_11,d146_12,d146_13,d146_14,d146_15]).
14713ring_size_6(d146,[d146_6,d146_1,d146_2,d146_3,d146_4,d146_5]).
14714ring_size_6(d146,[d146_16,d146_11,d146_12,d146_13,d146_14,d146_15]).
14715nitro(d146,[d146_1,d146_20,d146_21,d146_22]).
14716benzene(d148,[d148_6,d148_1,d148_2,d148_3,d148_4,d148_5]).
14717benzene(d148,[d148_9,d148_10,d148_4,d148_3,d148_7,d148_8]).
14718carbon_5_aromatic_ring(d148,[d148_5,d148_11,d148_12,d148_10,d148_4]).
14719ring_size_6(d148,[d148_6,d148_1,d148_2,d148_3,d148_4,d148_5]).
14720ring_size_6(d148,[d148_9,d148_10,d148_4,d148_3,d148_7,d148_8]).
14721ring_size_5(d148,[d148_5,d148_11,d148_12,d148_10,d148_4]).
14722nitro(d148,[d148_9,d148_20,d148_21,d148_22]).
14723benzene(d149,[d149_6,d149_1,d149_2,d149_3,d149_4,d149_5]).
14724benzene(d149,[d149_17,d149_12,d149_11,d149_14,d149_15,d149_16]).
14725ring_size_6(d149,[d149_6,d149_1,d149_2,d149_3,d149_4,d149_5]).
14726ring_size_6(d149,[d149_4,d149_13,d149_12,d149_11,d149_10,d149_3]).
14727ring_size_6(d149,[d149_17,d149_12,d149_11,d149_14,d149_15,d149_16]).
14728nitro(d149,[d149_16,d149_23,d149_25,d149_26]).
14729nitro(d149,[d149_1,d149_24,d149_27,d149_28]).
14730benzene(d151,[d151_6,d151_1,d151_2,d151_3,d151_4,d151_5]).
14731hetero_aromatic_5_ring(d151,[d151_9,d151_4,d151_3,d151_7,d151_8]).
14732ring_size_6(d151,[d151_6,d151_1,d151_2,d151_3,d151_4,d151_5]).
14733ring_size_5(d151,[d151_9,d151_4,d151_3,d151_7,d151_8]).
14734nitro(d151,[d151_2,d151_10,d151_11,d151_12]).
14735benzene(d152,[d152_6,d152_1,d152_2,d152_3,d152_4,d152_5]).
14736benzene(d152,[d152_9,d152_10,d152_11,d152_12,d152_4,d152_3]).
14737benzene(d152,[d152_20,d152_15,d152_16,d152_17,d152_18,d152_19]).
14738ring_size_6(d152,[d152_6,d152_1,d152_2,d152_3,d152_4,d152_5]).
14739ring_size_6(d152,[d152_9,d152_10,d152_11,d152_12,d152_4,d152_3]).
14740ring_size_6(d152,[d152_20,d152_15,d152_16,d152_17,d152_18,d152_19]).
14741ring_size_5(d152,[d152_5,d152_15,d152_16,d152_12,d152_4]).
14742nitro(d152,[d152_10,d152_25,d152_29,d152_30]).
14743nitro(d152,[d152_1,d152_26,d152_27,d152_28]).
14744benzene(d153,[d153_6,d153_1,d153_2,d153_3,d153_4,d153_5]).
14745benzene(d153,[d153_4,d153_13,d153_12,d153_11,d153_10,d153_3]).
14746ring_size_6(d153,[d153_6,d153_1,d153_2,d153_3,d153_4,d153_5]).
14747ring_size_6(d153,[d153_4,d153_13,d153_12,d153_11,d153_10,d153_3]).
14748ring_size_5(d153,[d153_5,d153_16,d153_17,d153_13,d153_4]).
14749nitro(d153,[d153_10,d153_22,d153_23,d153_24]).
14750benzene(d157,[d157_9,d157_10,d157_4,d157_3,d157_7,d157_8]).
14751benzene(d157,[d157_5,d157_13,d157_12,d157_11,d157_10,d157_4]).
14752benzene(d157,[d157_9,d157_10,d157_11,d157_16,d157_15,d157_14]).
14753carbon_6_ring(d157,[d157_6,d157_1,d157_2,d157_3,d157_4,d157_5]).
14754ring_size_6(d157,[d157_6,d157_1,d157_2,d157_3,d157_4,d157_5]).
14755ring_size_6(d157,[d157_9,d157_10,d157_4,d157_3,d157_7,d157_8]).
14756ring_size_6(d157,[d157_5,d157_13,d157_12,d157_11,d157_10,d157_4]).
14757ring_size_6(d157,[d157_9,d157_10,d157_11,d157_16,d157_15,d157_14]).
14758nitro(d157,[d157_16,d157_27,d157_28,d157_29]).
14759ball3(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]]).
14760benzene(d159,[d159_9,d159_10,d159_4,d159_3,d159_7,d159_8]).
14761benzene(d159,[d159_5,d159_13,d159_12,d159_11,d159_10,d159_4]).
14762benzene(d159,[d159_9,d159_10,d159_11,d159_16,d159_15,d159_14]).
14763carbon_6_ring(d159,[d159_6,d159_1,d159_2,d159_3,d159_4,d159_5]).
14764ring_size_6(d159,[d159_6,d159_1,d159_2,d159_3,d159_4,d159_5]).
14765ring_size_6(d159,[d159_9,d159_10,d159_4,d159_3,d159_7,d159_8]).
14766ring_size_6(d159,[d159_5,d159_13,d159_12,d159_11,d159_10,d159_4]).
14767ring_size_6(d159,[d159_9,d159_10,d159_11,d159_16,d159_15,d159_14]).
14768nitro(d159,[d159_16,d159_27,d159_28,d159_29]).
14769ball3(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]]).
14770benzene(d163,[d163_6,d163_1,d163_2,d163_3,d163_4,d163_5]).
14771benzene(d163,[d163_9,d163_10,d163_11,d163_12,d163_4,d163_3]).
14772benzene(d163,[d163_22,d163_15,d163_12,d163_11,d163_20,d163_21]).
14773benzene(d163,[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4]).
14774ring_size_6(d163,[d163_6,d163_1,d163_2,d163_3,d163_4,d163_5]).
14775ring_size_6(d163,[d163_9,d163_10,d163_11,d163_12,d163_4,d163_3]).
14776ring_size_6(d163,[d163_22,d163_15,d163_12,d163_11,d163_20,d163_21]).
14777ring_size_6(d163,[d163_5,d163_17,d163_16,d163_15,d163_12,d163_4]).
14778nitro(d163,[d163_21,d163_25,d163_27,d163_28]).
14779nitro(d163,[d163_1,d163_26,d163_29,d163_30]).
14780phenanthrene(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]]).
14781ball3(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]]).
14782ball3(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]]).
14783benzene(d164,[d164_6,d164_1,d164_2,d164_3,d164_4,d164_5]).
14784benzene(d164,[d164_9,d164_10,d164_11,d164_12,d164_4,d164_3]).
14785benzene(d164,[d164_22,d164_15,d164_12,d164_11,d164_20,d164_21]).
14786benzene(d164,[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4]).
14787ring_size_6(d164,[d164_6,d164_1,d164_2,d164_3,d164_4,d164_5]).
14788ring_size_6(d164,[d164_9,d164_10,d164_11,d164_12,d164_4,d164_3]).
14789ring_size_6(d164,[d164_22,d164_15,d164_12,d164_11,d164_20,d164_21]).
14790ring_size_6(d164,[d164_5,d164_17,d164_16,d164_15,d164_12,d164_4]).
14791nitro(d164,[d164_22,d164_25,d164_27,d164_28]).
14792nitro(d164,[d164_20,d164_26,d164_29,d164_30]).
14793phenanthrene(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]]).
14794ball3(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]]).
14795ball3(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]]).
14796benzene(d165,[d165_6,d165_1,d165_2,d165_3,d165_4,d165_5]).
14797benzene(d165,[d165_4,d165_13,d165_12,d165_11,d165_10,d165_3]).
14798benzene(d165,[d165_22,d165_17,d165_18,d165_19,d165_20,d165_21]).
14799ring_size_6(d165,[d165_6,d165_1,d165_2,d165_3,d165_4,d165_5]).
14800ring_size_6(d165,[d165_4,d165_13,d165_12,d165_11,d165_10,d165_3]).
14801ring_size_6(d165,[d165_22,d165_17,d165_18,d165_19,d165_20,d165_21]).
14802ring_size_5(d165,[d165_5,d165_17,d165_18,d165_13,d165_4]).
14803nitro(d165,[d165_21,d165_26,d165_27,d165_28]).
14804benzene(d166,[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5]).
14805benzene(d166,[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3]).
14806benzene(d166,[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]).
14807benzene(d166,[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4]).
14808ring_size_6(d166,[d166_6,d166_1,d166_2,d166_3,d166_4,d166_5]).
14809ring_size_6(d166,[d166_4,d166_13,d166_12,d166_11,d166_10,d166_3]).
14810ring_size_6(d166,[d166_23,d166_16,d166_13,d166_12,d166_21,d166_22]).
14811ring_size_6(d166,[d166_5,d166_18,d166_17,d166_16,d166_13,d166_4]).
14812nitro(d166,[d166_23,d166_25,d166_26,d166_27]).
14813phenanthrene(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]]).
14814phenanthrene(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]]).
14815ball3(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]]).
14816ball3(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]]).
14817benzene(d169,[d169_6,d169_1,d169_2,d169_3,d169_4,d169_5]).
14818ring_size_6(d169,[d169_6,d169_1,d169_2,d169_3,d169_4,d169_5]).
14819nitro(d169,[d169_4,d169_11,d169_13,d169_14]).
14820nitro(d169,[d169_2,d169_12,d169_15,d169_16]).
14821benzene(d171,[d171_6,d171_1,d171_2,d171_3,d171_4,d171_5]).
14822benzene(d171,[d171_15,d171_10,d171_11,d171_12,d171_13,d171_14]).
14823ring_size_6(d171,[d171_6,d171_1,d171_2,d171_3,d171_4,d171_5]).
14824ring_size_6(d171,[d171_15,d171_10,d171_11,d171_12,d171_13,d171_14]).
14825nitro(d171,[d171_15,d171_19,d171_27,d171_28]).
14826nitro(d171,[d171_13,d171_20,d171_29,d171_30]).
14827nitro(d171,[d171_5,d171_21,d171_25,d171_26]).
14828nitro(d171,[d171_1,d171_22,d171_23,d171_24]).
14829benzene(d172,[d172_6,d172_1,d172_2,d172_3,d172_4,d172_5]).
14830hetero_aromatic_5_ring(d172,[d172_9,d172_4,d172_3,d172_7,d172_8]).
14831ring_size_6(d172,[d172_6,d172_1,d172_2,d172_3,d172_4,d172_5]).
14832ring_size_5(d172,[d172_9,d172_4,d172_3,d172_7,d172_8]).
14833nitro(d172,[d172_1,d172_10,d172_11,d172_12]).
14834benzene(d173,[d173_6,d173_1,d173_2,d173_3,d173_4,d173_5]).
14835benzene(d173,[d173_15,d173_10,d173_11,d173_12,d173_13,d173_14]).
14836ring_size_6(d173,[d173_6,d173_1,d173_2,d173_3,d173_4,d173_5]).
14837ring_size_6(d173,[d173_15,d173_10,d173_11,d173_12,d173_13,d173_14]).
14838nitro(d173,[d173_5,d173_20,d173_25,d173_26]).
14839nitro(d173,[d173_4,d173_21,d173_27,d173_28]).
14840nitro(d173,[d173_10,d173_22,d173_23,d173_24]).
14841benzene(d174,[d174_6,d174_1,d174_2,d174_3,d174_4,d174_5]).
14842benzene(d174,[d174_4,d174_13,d174_12,d174_11,d174_10,d174_3]).
14843benzene(d174,[d174_21,d174_16,d174_17,d174_18,d174_19,d174_20]).
14844ring_size_6(d174,[d174_6,d174_1,d174_2,d174_3,d174_4,d174_5]).
14845ring_size_6(d174,[d174_4,d174_13,d174_12,d174_11,d174_10,d174_3]).
14846ring_size_6(d174,[d174_21,d174_16,d174_17,d174_18,d174_19,d174_20]).
14847ring_size_5(d174,[d174_5,d174_16,d174_17,d174_13,d174_4]).
14848nitro(d174,[d174_10,d174_25,d174_27,d174_28]).
14849nitro(d174,[d174_19,d174_26,d174_29,d174_30]).
14850benzene(d177,[d177_6,d177_1,d177_2,d177_3,d177_4,d177_5]).
14851benzene(d177,[d177_17,d177_12,d177_11,d177_14,d177_15,d177_16]).
14852ring_size_6(d177,[d177_6,d177_1,d177_2,d177_3,d177_4,d177_5]).
14853ring_size_6(d177,[d177_4,d177_13,d177_12,d177_11,d177_10,d177_3]).
14854ring_size_6(d177,[d177_17,d177_12,d177_11,d177_14,d177_15,d177_16]).
14855nitro(d177,[d177_17,d177_23,d177_27,d177_28]).
14856nitro(d177,[d177_5,d177_24,d177_25,d177_26]).
14857benzene(d178,[d178_6,d178_1,d178_2,d178_3,d178_4,d178_5]).
14858ring_size_6(d178,[d178_6,d178_1,d178_2,d178_3,d178_4,d178_5]).
14859ring_size_5(d178,[d178_4,d178_12,d178_11,d178_10,d178_3]).
14860nitro(d178,[d178_2,d178_19,d178_20,d178_21]).
14861benzene(d183,[d183_6,d183_1,d183_2,d183_3,d183_4,d183_5]).
14862benzene(d183,[d183_9,d183_10,d183_11,d183_12,d183_4,d183_3]).
14863benzene(d183,[d183_22,d183_15,d183_12,d183_11,d183_20,d183_21]).
14864benzene(d183,[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4]).
14865ring_size_6(d183,[d183_6,d183_1,d183_2,d183_3,d183_4,d183_5]).
14866ring_size_6(d183,[d183_9,d183_10,d183_11,d183_12,d183_4,d183_3]).
14867ring_size_6(d183,[d183_22,d183_15,d183_12,d183_11,d183_20,d183_21]).
14868ring_size_6(d183,[d183_5,d183_17,d183_16,d183_15,d183_12,d183_4]).
14869nitro(d183,[d183_22,d183_25,d183_29,d183_30]).
14870nitro(d183,[d183_6,d183_26,d183_27,d183_28]).
14871phenanthrene(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]]).
14872ball3(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]]).
14873ball3(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]]).
14874benzene(d184,[d184_6,d184_1,d184_2,d184_3,d184_4,d184_5]).
14875benzene(d184,[d184_4,d184_13,d184_12,d184_11,d184_10,d184_3]).
14876benzene(d184,[d184_21,d184_16,d184_17,d184_18,d184_19,d184_20]).
14877ring_size_6(d184,[d184_6,d184_1,d184_2,d184_3,d184_4,d184_5]).
14878ring_size_6(d184,[d184_4,d184_13,d184_12,d184_11,d184_10,d184_3]).
14879ring_size_6(d184,[d184_21,d184_16,d184_17,d184_18,d184_19,d184_20]).
14880ring_size_5(d184,[d184_5,d184_16,d184_17,d184_13,d184_4]).
14881nitro(d184,[d184_10,d184_25,d184_29,d184_30]).
14882nitro(d184,[d184_21,d184_26,d184_27,d184_28]).
14883benzene(d187,[d187_6,d187_1,d187_25,d187_24,d187_23,d187_22]).
14884benzene(d187,[d187_9,d187_10,d187_5,d187_4,d187_7,d187_8]).
14885benzene(d187,[d187_3,d187_17,d187_16,d187_15,d187_14,d187_2]).
14886carbon_6_ring(d187,[d187_6,d187_1,d187_2,d187_3,d187_4,d187_5]).
14887ring_size_6(d187,[d187_6,d187_1,d187_2,d187_3,d187_4,d187_5]).
14888ring_size_6(d187,[d187_6,d187_1,d187_25,d187_24,d187_23,d187_22]).
14889ring_size_6(d187,[d187_9,d187_10,d187_5,d187_4,d187_7,d187_8]).
14890ring_size_6(d187,[d187_3,d187_17,d187_16,d187_15,d187_14,d187_2]).
14891nitro(d187,[d187_9,d187_30,d187_31,d187_32]).
14892benzene(d8,[d8_6,d8_1,d8_2,d8_3,d8_4,d8_5]).
14893benzene(d8,[d8_9,d8_10,d8_11,d8_12,d8_7,d8_8]).
14894ring_size_6(d8,[d8_6,d8_1,d8_2,d8_3,d8_4,d8_5]).
14895ring_size_6(d8,[d8_9,d8_10,d8_11,d8_12,d8_7,d8_8]).
14896ring_size_5(d8,[d8_7,d8_12,d8_4,d8_3,d8_13]).
14897nitro(d8,[d8_1,d8_14,d8_15,d8_16]).
14898benzene(d16,[d16_6,d16_1,d16_2,d16_3,d16_4,d16_5]).
14899benzene(d16,[d16_9,d16_10,d16_4,d16_3,d16_7,d16_8]).
14900benzene(d16,[d16_16,d16_11,d16_12,d16_13,d16_14,d16_15]).
14901ring_size_6(d16,[d16_6,d16_1,d16_2,d16_3,d16_4,d16_5]).
14902ring_size_6(d16,[d16_9,d16_10,d16_4,d16_3,d16_7,d16_8]).
14903ring_size_6(d16,[d16_16,d16_11,d16_12,d16_13,d16_14,d16_15]).
14904ring_size_5(d16,[d16_5,d16_11,d16_12,d16_10,d16_4]).
14905nitro(d16,[d16_7,d16_17,d16_19,d16_20]).
14906nitro(d16,[d16_2,d16_18,d16_21,d16_22]).
14907benzene(d21,[d21_6,d21_1,d21_2,d21_3,d21_4,d21_5]).
14908benzene(d21,[d21_16,d21_11,d21_12,d21_13,d21_14,d21_15]).
14909ring_size_6(d21,[d21_6,d21_1,d21_2,d21_3,d21_4,d21_5]).
14910ring_size_6(d21,[d21_16,d21_11,d21_12,d21_13,d21_14,d21_15]).
14911nitro(d21,[d21_14,d21_21,d21_23,d21_24]).
14912nitro(d21,[d21_6,d21_22,d21_25,d21_26]).
14913benzene(d22,[d22_6,d22_1,d22_2,d22_3,d22_4,d22_5]).
14914benzene(d22,[d22_9,d22_10,d22_11,d22_12,d22_7,d22_8]).
14915ring_size_6(d22,[d22_6,d22_1,d22_2,d22_3,d22_4,d22_5]).
14916ring_size_6(d22,[d22_9,d22_10,d22_11,d22_12,d22_7,d22_8]).
14917ring_size_5(d22,[d22_7,d22_12,d22_4,d22_3,d22_13]).
14918nitro(d22,[d22_1,d22_15,d22_16,d22_17]).
14919benzene(d23,[d23_6,d23_1,d23_2,d23_3,d23_4,d23_5]).
14920benzene(d23,[d23_9,d23_10,d23_5,d23_4,d23_7,d23_8]).
14921benzene(d23,[d23_8,d23_14,d23_13,d23_12,d23_11,d23_7]).
14922benzene(d23,[d23_18,d23_13,d23_12,d23_15,d23_16,d23_17]).
14923carbon_5_aromatic_ring(d23,[d23_20,d23_18,d23_13,d23_14,d23_19]).
14924ring_size_6(d23,[d23_6,d23_1,d23_2,d23_3,d23_4,d23_5]).
14925ring_size_6(d23,[d23_9,d23_10,d23_5,d23_4,d23_7,d23_8]).
14926ring_size_6(d23,[d23_8,d23_14,d23_13,d23_12,d23_11,d23_7]).
14927ring_size_6(d23,[d23_18,d23_13,d23_12,d23_15,d23_16,d23_17]).
14928ring_size_5(d23,[d23_20,d23_18,d23_13,d23_14,d23_19]).
14929nitro(d23,[d23_20,d23_32,d23_33,d23_34]).
14930anthracene(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]]).
14931benzene(d29,[d29_6,d29_1,d29_2,d29_3,d29_4,d29_5]).
14932benzene(d29,[d29_9,d29_10,d29_11,d29_12,d29_7,d29_8]).
14933ring_size_6(d29,[d29_6,d29_1,d29_2,d29_3,d29_4,d29_5]).
14934ring_size_6(d29,[d29_9,d29_10,d29_11,d29_12,d29_7,d29_8]).
14935ring_size_5(d29,[d29_7,d29_12,d29_4,d29_3,d29_13]).
14936nitro(d29,[d29_1,d29_14,d29_15,d29_16]).
14937nitro(d29,[d29_9,d29_17,d29_18,d29_19]).
14938nitro(d29,[d29_11,d29_20,d29_21,d29_22]).
14939benzene(d30,[d30_6,d30_1,d30_2,d30_3,d30_4,d30_5]).
14940benzene(d30,[d30_9,d30_10,d30_4,d30_3,d30_7,d30_8]).
14941benzene(d30,[d30_8,d30_14,d30_13,d30_12,d30_11,d30_7]).
14942benzene(d30,[d30_18,d30_13,d30_12,d30_15,d30_16,d30_17]).
14943carbon_5_aromatic_ring(d30,[d30_5,d30_19,d30_20,d30_10,d30_4]).
14944ring_size_6(d30,[d30_6,d30_1,d30_2,d30_3,d30_4,d30_5]).
14945ring_size_6(d30,[d30_9,d30_10,d30_4,d30_3,d30_7,d30_8]).
14946ring_size_6(d30,[d30_8,d30_14,d30_13,d30_12,d30_11,d30_7]).
14947ring_size_6(d30,[d30_18,d30_13,d30_12,d30_15,d30_16,d30_17]).
14948ring_size_5(d30,[d30_5,d30_19,d30_20,d30_10,d30_4]).
14949nitro(d30,[d30_19,d30_32,d30_33,d30_34]).
14950anthracene(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]]).
14951benzene(d32,[d32_6,d32_1,d32_2,d32_3,d32_4,d32_5]).
14952benzene(d32,[d32_15,d32_10,d32_11,d32_12,d32_13,d32_14]).
14953ring_size_6(d32,[d32_6,d32_1,d32_2,d32_3,d32_4,d32_5]).
14954ring_size_6(d32,[d32_15,d32_10,d32_11,d32_12,d32_13,d32_14]).
14955nitro(d32,[d32_15,d32_19,d32_23,d32_24]).
14956nitro(d32,[d32_13,d32_20,d32_25,d32_26]).
14957nitro(d32,[d32_6,d32_21,d32_29,d32_30]).
14958nitro(d32,[d32_1,d32_22,d32_27,d32_28]).
14959benzene(d33,[d33_6,d33_1,d33_2,d33_3,d33_4,d33_5]).
14960benzene(d33,[d33_15,d33_10,d33_11,d33_12,d33_13,d33_14]).
14961ring_size_6(d33,[d33_6,d33_1,d33_2,d33_3,d33_4,d33_5]).
14962ring_size_6(d33,[d33_15,d33_10,d33_11,d33_12,d33_13,d33_14]).
14963ring_size_5(d33,[d33_4,d33_15,d33_10,d33_19,d33_3]).
14964nitro(d33,[d33_1,d33_22,d33_23,d33_24]).
14965benzene(d35,[d35_6,d35_1,d35_2,d35_3,d35_4,d35_5]).
14966benzene(d35,[d35_15,d35_10,d35_11,d35_12,d35_13,d35_14]).
14967ring_size_6(d35,[d35_6,d35_1,d35_2,d35_3,d35_4,d35_5]).
14968ring_size_6(d35,[d35_15,d35_10,d35_11,d35_12,d35_13,d35_14]).
14969ring_size_5(d35,[d35_4,d35_15,d35_10,d35_19,d35_3]).
14970nitro(d35,[d35_1,d35_22,d35_24,d35_25]).
14971benzene(d37,[d37_6,d37_1,d37_2,d37_3,d37_4,d37_5]).
14972benzene(d37,[d37_22,d37_15,d37_18,d37_19,d37_20,d37_21]).
14973ring_size_6(d37,[d37_6,d37_1,d37_2,d37_3,d37_4,d37_5]).
14974ring_size_6(d37,[d37_22,d37_15,d37_18,d37_19,d37_20,d37_21]).
14975nitro(d37,[d37_1,d37_28,d37_29,d37_30]).
14976benzene(d44,[d44_6,d44_1,d44_2,d44_3,d44_4,d44_5]).
14977benzene(d44,[d44_8,d44_14,d44_13,d44_12,d44_11,d44_7]).
14978carbon_6_ring(d44,[d44_9,d44_10,d44_5,d44_4,d44_7,d44_8]).
14979ring_size_6(d44,[d44_6,d44_1,d44_2,d44_3,d44_4,d44_5]).
14980ring_size_6(d44,[d44_9,d44_10,d44_5,d44_4,d44_7,d44_8]).
14981ring_size_6(d44,[d44_8,d44_14,d44_13,d44_12,d44_11,d44_7]).
14982nitro(d44,[d44_13,d44_15,d44_16,d44_17]).
14983benzene(d47,[d47_6,d47_1,d47_2,d47_3,d47_4,d47_5]).
14984benzene(d47,[d47_9,d47_10,d47_11,d47_16,d47_15,d47_14]).
14985carbon_6_ring(d47,[d47_9,d47_10,d47_4,d47_3,d47_7,d47_8]).
14986carbon_6_ring(d47,[d47_5,d47_13,d47_12,d47_11,d47_10,d47_4]).
14987ring_size_6(d47,[d47_6,d47_1,d47_2,d47_3,d47_4,d47_5]).
14988ring_size_6(d47,[d47_9,d47_10,d47_4,d47_3,d47_7,d47_8]).
14989ring_size_6(d47,[d47_5,d47_13,d47_12,d47_11,d47_10,d47_4]).
14990ring_size_6(d47,[d47_9,d47_10,d47_11,d47_16,d47_15,d47_14]).
14991nitro(d47,[d47_15,d47_17,d47_19,d47_20]).
14992nitro(d47,[d47_1,d47_18,d47_21,d47_22]).
14993benzene(d74,[d74_6,d74_1,d74_2,d74_3,d74_4,d74_5]).
14994benzene(d74,[d74_4,d74_13,d74_12,d74_11,d74_10,d74_3]).
14995benzene(d74,[d74_22,d74_17,d74_18,d74_19,d74_20,d74_21]).
14996benzene(d74,[d74_28,d74_21,d74_20,d74_25,d74_26,d74_27]).
14997ring_size_6(d74,[d74_6,d74_1,d74_2,d74_3,d74_4,d74_5]).
14998ring_size_6(d74,[d74_4,d74_13,d74_12,d74_11,d74_10,d74_3]).
14999ring_size_6(d74,[d74_22,d74_17,d74_18,d74_19,d74_20,d74_21]).
15000ring_size_6(d74,[d74_28,d74_21,d74_20,d74_25,d74_26,d74_27]).
15001ring_size_5(d74,[d74_5,d74_17,d74_18,d74_13,d74_4]).
15002nitro(d74,[d74_26,d74_32,d74_33,d74_34]).
15003benzene(d81,[d81_6,d81_1,d81_2,d81_3,d81_4,d81_5]).
15004ring_size_6(d81,[d81_6,d81_1,d81_2,d81_3,d81_4,d81_5]).
15005nitro(d81,[d81_5,d81_11,d81_13,d81_14]).
15006nitro(d81,[d81_3,d81_12,d81_15,d81_16]).
15007benzene(d85,[d85_6,d85_1,d85_2,d85_3,d85_4,d85_5]).
15008benzene(d85,[d85_9,d85_10,d85_5,d85_4,d85_7,d85_8]).
15009benzene(d85,[d85_8,d85_14,d85_13,d85_12,d85_11,d85_7]).
15010benzene(d85,[d85_18,d85_13,d85_12,d85_15,d85_16,d85_17]).
15011carbon_5_aromatic_ring(d85,[d85_9,d85_19,d85_20,d85_14,d85_8]).
15012ring_size_6(d85,[d85_6,d85_1,d85_2,d85_3,d85_4,d85_5]).
15013ring_size_6(d85,[d85_9,d85_10,d85_5,d85_4,d85_7,d85_8]).
15014ring_size_6(d85,[d85_8,d85_14,d85_13,d85_12,d85_11,d85_7]).
15015ring_size_6(d85,[d85_18,d85_13,d85_12,d85_15,d85_16,d85_17]).
15016ring_size_5(d85,[d85_9,d85_19,d85_20,d85_14,d85_8]).
15017nitro(d85,[d85_19,d85_32,d85_33,d85_34]).
15018anthracene(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]]).
15019benzene(d91,[d91_9,d91_10,d91_4,d91_3,d91_7,d91_8]).
15020benzene(d91,[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14]).
15021benzene(d91,[d91_9,d91_14,d91_13,d91_12,d91_11,d91_8]).
15022benzene(d91,[d91_20,d91_15,d91_14,d91_13,d91_18,d91_19]).
15023carbon_6_ring(d91,[d91_6,d91_1,d91_2,d91_3,d91_4,d91_5]).
15024ring_size_6(d91,[d91_6,d91_1,d91_2,d91_3,d91_4,d91_5]).
15025ring_size_6(d91,[d91_9,d91_10,d91_4,d91_3,d91_7,d91_8]).
15026ring_size_6(d91,[d91_9,d91_10,d91_17,d91_16,d91_15,d91_14]).
15027ring_size_6(d91,[d91_9,d91_14,d91_13,d91_12,d91_11,d91_8]).
15028ring_size_6(d91,[d91_20,d91_15,d91_14,d91_13,d91_18,d91_19]).
15029nitro(d91,[d91_18,d91_21,d91_22,d91_23]).
15030phenanthrene(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]]).
15031ball3(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]]).
15032ball3(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]]).
15033benzene(d92,[d92_6,d92_1,d92_2,d92_3,d92_4,d92_5]).
15034benzene(d92,[d92_9,d92_10,d92_11,d92_16,d92_15,d92_14]).
15035carbon_6_ring(d92,[d92_9,d92_10,d92_4,d92_3,d92_7,d92_8]).
15036carbon_6_ring(d92,[d92_5,d92_13,d92_12,d92_11,d92_10,d92_4]).
15037ring_size_6(d92,[d92_6,d92_1,d92_2,d92_3,d92_4,d92_5]).
15038ring_size_6(d92,[d92_9,d92_10,d92_4,d92_3,d92_7,d92_8]).
15039ring_size_6(d92,[d92_5,d92_13,d92_12,d92_11,d92_10,d92_4]).
15040ring_size_6(d92,[d92_9,d92_10,d92_11,d92_16,d92_15,d92_14]).
15041nitro(d92,[d92_15,d92_17,d92_18,d92_19]).
15042benzene(d93,[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5]).
15043benzene(d93,[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3]).
15044benzene(d93,[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]).
15045benzene(d93,[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4]).
15046benzene(d93,[d93_27,d93_18,d93_17,d93_24,d93_25,d93_26]).
15047ring_size_6(d93,[d93_6,d93_1,d93_2,d93_3,d93_4,d93_5]).
15048ring_size_6(d93,[d93_4,d93_13,d93_12,d93_11,d93_10,d93_3]).
15049ring_size_6(d93,[d93_21,d93_16,d93_13,d93_12,d93_19,d93_20]).
15050ring_size_6(d93,[d93_5,d93_18,d93_17,d93_16,d93_13,d93_4]).
15051ring_size_6(d93,[d93_27,d93_18,d93_17,d93_24,d93_25,d93_26]).
15052nitro(d93,[d93_19,d93_32,d93_33,d93_34]).
15053phenanthrene(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]]).
15054phenanthrene(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]]).
15055phenanthrene(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]]).
15056ball3(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]]).
15057ball3(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]]).
15058benzene(d97,[d97_6,d97_1,d97_2,d97_3,d97_4,d97_5]).
15059benzene(d97,[d97_15,d97_10,d97_11,d97_12,d97_13,d97_14]).
15060ring_size_6(d97,[d97_6,d97_1,d97_2,d97_3,d97_4,d97_5]).
15061ring_size_6(d97,[d97_15,d97_10,d97_11,d97_12,d97_13,d97_14]).
15062ring_size_5(d97,[d97_4,d97_15,d97_10,d97_19,d97_3]).
15063nitro(d97,[d97_1,d97_26,d97_27,d97_28]).
15064benzene(d99,[d99_6,d99_1,d99_2,d99_3,d99_4,d99_5]).
15065benzene(d99,[d99_9,d99_10,d99_4,d99_3,d99_7,d99_8]).
15066carbon_5_aromatic_ring(d99,[d99_5,d99_11,d99_12,d99_10,d99_4]).
15067ring_size_6(d99,[d99_6,d99_1,d99_2,d99_3,d99_4,d99_5]).
15068ring_size_6(d99,[d99_9,d99_10,d99_4,d99_3,d99_7,d99_8]).
15069ring_size_5(d99,[d99_5,d99_11,d99_12,d99_10,d99_4]).
15070nitro(d99,[d99_11,d99_13,d99_14,d99_15]).
15071benzene(d102,[d102_6,d102_1,d102_2,d102_3,d102_4,d102_5]).
15072benzene(d102,[d102_9,d102_10,d102_11,d102_12,d102_13,d102_14]).
15073ring_size_6(d102,[d102_6,d102_1,d102_2,d102_3,d102_4,d102_5]).
15074ring_size_6(d102,[d102_9,d102_10,d102_11,d102_12,d102_13,d102_14]).
15075ring_size_5(d102,[d102_9,d102_14,d102_4,d102_3,d102_17]).
15076nitro(d102,[d102_11,d102_19,d102_29,d102_30]).
15077nitro(d102,[d102_13,d102_20,d102_27,d102_28]).
15078nitro(d102,[d102_5,d102_21,d102_25,d102_26]).
15079nitro(d102,[d102_1,d102_22,d102_23,d102_24]).
15080benzene(d103,[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5]).
15081benzene(d103,[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3]).
15082benzene(d103,[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]).
15083benzene(d103,[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4]).
15084ring_size_6(d103,[d103_6,d103_1,d103_2,d103_3,d103_4,d103_5]).
15085ring_size_6(d103,[d103_4,d103_13,d103_12,d103_11,d103_10,d103_3]).
15086ring_size_6(d103,[d103_23,d103_16,d103_13,d103_12,d103_21,d103_22]).
15087ring_size_6(d103,[d103_5,d103_18,d103_17,d103_16,d103_13,d103_4]).
15088nitro(d103,[d103_22,d103_26,d103_27,d103_28]).
15089phenanthrene(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]]).
15090phenanthrene(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]]).
15091ball3(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]]).
15092ball3(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]]).
15093benzene(d106,[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5]).
15094benzene(d106,[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3]).
15095benzene(d106,[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]).
15096benzene(d106,[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4]).
15097ring_size_6(d106,[d106_6,d106_1,d106_2,d106_3,d106_4,d106_5]).
15098ring_size_6(d106,[d106_4,d106_13,d106_12,d106_11,d106_10,d106_3]).
15099ring_size_6(d106,[d106_22,d106_16,d106_13,d106_12,d106_20,d106_21]).
15100ring_size_6(d106,[d106_5,d106_18,d106_17,d106_16,d106_13,d106_4]).
15101nitro(d106,[d106_22,d106_25,d106_27,d106_28]).
15102phenanthrene(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]]).
15103phenanthrene(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]]).
15104ball3(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]]).
15105ball3(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]]).
15106benzene(d108,[d108_6,d108_1,d108_2,d108_3,d108_4,d108_5]).
15107benzene(d108,[d108_9,d108_10,d108_11,d108_12,d108_4,d108_3]).
15108benzene(d108,[d108_19,d108_14,d108_15,d108_16,d108_17,d108_18]).
15109ring_size_6(d108,[d108_6,d108_1,d108_2,d108_3,d108_4,d108_5]).
15110ring_size_6(d108,[d108_9,d108_10,d108_11,d108_12,d108_4,d108_3]).
15111ring_size_6(d108,[d108_19,d108_14,d108_15,d108_16,d108_17,d108_18]).
15112ring_size_5(d108,[d108_5,d108_14,d108_15,d108_12,d108_4]).
15113nitro(d108,[d108_9,d108_24,d108_25,d108_26]).
15114benzene(d118,[d118_9,d118_10,d118_4,d118_3,d118_7,d118_8]).
15115benzene(d118,[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14]).
15116benzene(d118,[d118_9,d118_14,d118_13,d118_12,d118_11,d118_8]).
15117benzene(d118,[d118_20,d118_15,d118_14,d118_13,d118_18,d118_19]).
15118carbon_6_ring(d118,[d118_6,d118_1,d118_2,d118_3,d118_4,d118_5]).
15119ring_size_6(d118,[d118_6,d118_1,d118_2,d118_3,d118_4,d118_5]).
15120ring_size_6(d118,[d118_9,d118_10,d118_4,d118_3,d118_7,d118_8]).
15121ring_size_6(d118,[d118_9,d118_10,d118_17,d118_16,d118_15,d118_14]).
15122ring_size_6(d118,[d118_9,d118_14,d118_13,d118_12,d118_11,d118_8]).
15123ring_size_6(d118,[d118_20,d118_15,d118_14,d118_13,d118_18,d118_19]).
15124nitro(d118,[d118_18,d118_21,d118_22,d118_23]).
15125phenanthrene(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]]).
15126ball3(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]]).
15127ball3(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]]).
15128benzene(d121,[d121_6,d121_1,d121_2,d121_3,d121_4,d121_5]).
15129benzene(d121,[d121_9,d121_10,d121_11,d121_12,d121_4,d121_3]).
15130benzene(d121,[d121_19,d121_14,d121_15,d121_16,d121_17,d121_18]).
15131ring_size_6(d121,[d121_6,d121_1,d121_2,d121_3,d121_4,d121_5]).
15132ring_size_6(d121,[d121_9,d121_10,d121_11,d121_12,d121_4,d121_3]).
15133ring_size_6(d121,[d121_19,d121_14,d121_15,d121_16,d121_17,d121_18]).
15134ring_size_5(d121,[d121_5,d121_14,d121_15,d121_12,d121_4]).
15135nitro(d121,[d121_11,d121_24,d121_27,d121_28]).
15136nitro(d121,[d121_10,d121_25,d121_29,d121_30]).
15137nitro(d121,[d121_1,d121_26,d121_31,d121_32]).
15138benzene(d134,[d134_6,d134_1,d134_2,d134_3,d134_4,d134_5]).
15139benzene(d134,[d134_5,d134_13,d134_12,d134_11,d134_10,d134_4]).
15140benzene(d134,[d134_9,d134_10,d134_11,d134_16,d134_15,d134_14]).
15141carbon_6_ring(d134,[d134_9,d134_10,d134_4,d134_3,d134_7,d134_8]).
15142ring_size_6(d134,[d134_6,d134_1,d134_2,d134_3,d134_4,d134_5]).
15143ring_size_6(d134,[d134_9,d134_10,d134_4,d134_3,d134_7,d134_8]).
15144ring_size_6(d134,[d134_5,d134_13,d134_12,d134_11,d134_10,d134_4]).
15145ring_size_6(d134,[d134_9,d134_10,d134_11,d134_16,d134_15,d134_14]).
15146nitro(d134,[d134_15,d134_27,d134_29,d134_30]).
15147nitro(d134,[d134_1,d134_28,d134_31,d134_32]).
15148benzene(d145,[d145_6,d145_1,d145_2,d145_3,d145_4,d145_5]).
15149benzene(d145,[d145_16,d145_11,d145_12,d145_13,d145_14,d145_15]).
15150ring_size_6(d145,[d145_6,d145_1,d145_2,d145_3,d145_4,d145_5]).
15151ring_size_6(d145,[d145_16,d145_11,d145_12,d145_13,d145_14,d145_15]).
15152nitro(d145,[d145_1,d145_22,d145_23,d145_24]).
15153benzene(d158,[d158_6,d158_1,d158_2,d158_3,d158_4,d158_5]).
15154benzene(d158,[d158_15,d158_10,d158_11,d158_12,d158_13,d158_14]).
15155ring_size_6(d158,[d158_6,d158_1,d158_2,d158_3,d158_4,d158_5]).
15156ring_size_6(d158,[d158_15,d158_10,d158_11,d158_12,d158_13,d158_14]).
15157ring_size_5(d158,[d158_4,d158_15,d158_10,d158_19,d158_3]).
15158nitro(d158,[d158_1,d158_22,d158_23,d158_24]).
15159benzene(d161,[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5]).
15160benzene(d161,[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3]).
15161benzene(d161,[d161_20,d161_15,d161_12,d161_11,d161_18,d161_19]).
15162benzene(d161,[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4]).
15163benzene(d161,[d161_26,d161_17,d161_16,d161_23,d161_24,d161_25]).
15164ring_size_6(d161,[d161_6,d161_1,d161_2,d161_3,d161_4,d161_5]).
15165ring_size_6(d161,[d161_9,d161_10,d161_11,d161_12,d161_4,d161_3]).
15166ring_size_6(d161,[d161_20,d161_15,d161_12,d161_11,d161_18,d161_19]).
15167ring_size_6(d161,[d161_5,d161_17,d161_16,d161_15,d161_12,d161_4]).
15168ring_size_6(d161,[d161_26,d161_17,d161_16,d161_23,d161_24,d161_25]).
15169nitro(d161,[d161_20,d161_31,d161_33,d161_34]).
15170nitro(d161,[d161_2,d161_32,d161_35,d161_36]).
15171anthracene(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]]).
15172phenanthrene(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]]).
15173phenanthrene(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]]).
15174ball3(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]]).
15175ball3(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]]).
15176benzene(d162,[d162_6,d162_1,d162_2,d162_3,d162_4,d162_5]).
15177benzene(d162,[d162_15,d162_10,d162_11,d162_12,d162_13,d162_14]).
15178ring_size_6(d162,[d162_6,d162_1,d162_2,d162_3,d162_4,d162_5]).
15179ring_size_6(d162,[d162_15,d162_10,d162_11,d162_12,d162_13,d162_14]).
15180nitro(d162,[d162_14,d162_19,d162_27,d162_28]).
15181nitro(d162,[d162_13,d162_20,d162_29,d162_30]).
15182nitro(d162,[d162_6,d162_21,d162_25,d162_26]).
15183nitro(d162,[d162_1,d162_22,d162_23,d162_24]).
15184benzene(d167,[d167_6,d167_1,d167_2,d167_3,d167_4,d167_5]).
15185benzene(d167,[d167_9,d167_10,d167_11,d167_12,d167_4,d167_3]).
15186benzene(d167,[d167_22,d167_15,d167_12,d167_11,d167_20,d167_21]).
15187benzene(d167,[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4]).
15188ring_size_6(d167,[d167_6,d167_1,d167_2,d167_3,d167_4,d167_5]).
15189ring_size_6(d167,[d167_9,d167_10,d167_11,d167_12,d167_4,d167_3]).
15190ring_size_6(d167,[d167_22,d167_15,d167_12,d167_11,d167_20,d167_21]).
15191ring_size_6(d167,[d167_5,d167_17,d167_16,d167_15,d167_12,d167_4]).
15192nitro(d167,[d167_22,d167_25,d167_27,d167_28]).
15193nitro(d167,[d167_2,d167_26,d167_29,d167_30]).
15194phenanthrene(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]]).
15195ball3(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]]).
15196ball3(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]]).
15197benzene(d170,[d170_6,d170_1,d170_2,d170_3,d170_4,d170_5]).
15198benzene(d170,[d170_18,d170_13,d170_12,d170_15,d170_16,d170_17]).
15199ring_size_6(d170,[d170_6,d170_1,d170_2,d170_3,d170_4,d170_5]).
15200ring_size_6(d170,[d170_4,d170_14,d170_13,d170_12,d170_11,d170_3]).
15201ring_size_6(d170,[d170_18,d170_13,d170_12,d170_15,d170_16,d170_17]).
15202nitro(d170,[d170_18,d170_24,d170_25,d170_26]).
15203benzene(d176,[d176_6,d176_1,d176_2,d176_3,d176_4,d176_5]).
15204ring_size_6(d176,[d176_6,d176_1,d176_2,d176_3,d176_4,d176_5]).
15205ring_size_5(d176,[d176_4,d176_14,d176_11,d176_10,d176_3]).
15206nitro(d176,[d176_1,d176_17,d176_18,d176_19]).
15207benzene(d180,[d180_6,d180_1,d180_2,d180_3,d180_4,d180_5]).
15208benzene(d180,[d180_9,d180_10,d180_6,d180_5,d180_7,d180_8]).
15209benzene(d180,[d180_8,d180_14,d180_13,d180_12,d180_11,d180_7]).
15210benzene(d180,[d180_18,d180_12,d180_11,d180_15,d180_16,d180_17]).
15211benzene(d180,[d180_22,d180_16,d180_15,d180_19,d180_20,d180_21]).
15212carbon_6_ring(d180,[d180_7,d180_11,d180_15,d180_19,d180_4,d180_5]).
15213ring_size_6(d180,[d180_6,d180_1,d180_2,d180_3,d180_4,d180_5]).
15214ring_size_6(d180,[d180_9,d180_10,d180_6,d180_5,d180_7,d180_8]).
15215ring_size_6(d180,[d180_8,d180_14,d180_13,d180_12,d180_11,d180_7]).
15216ring_size_6(d180,[d180_18,d180_12,d180_11,d180_15,d180_16,d180_17]).
15217ring_size_6(d180,[d180_7,d180_11,d180_15,d180_19,d180_4,d180_5]).
15218ring_size_6(d180,[d180_22,d180_16,d180_15,d180_19,d180_20,d180_21]).
15219nitro(d180,[d180_22,d180_23,d180_25,d180_26]).
15220nitro(d180,[d180_3,d180_24,d180_27,d180_28]).
15221phenanthrene(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]]).
15222benzene(d2,[d2_6,d2_1,d2_2,d2_3,d2_4,d2_5]).
15223hetero_aromatic_6_ring(d2,[d2_4,d2_13,d2_12,d2_11,d2_10,d2_3]).
15224ring_size_6(d2,[d2_6,d2_1,d2_2,d2_3,d2_4,d2_5]).
15225ring_size_6(d2,[d2_4,d2_13,d2_12,d2_11,d2_10,d2_3]).
15226nitro(d2,[d2_2,d2_17,d2_18,d2_19]).
15227benzene(d17,[d17_6,d17_1,d17_2,d17_3,d17_4,d17_5]).
15228ring_size_6(d17,[d17_6,d17_1,d17_2,d17_3,d17_4,d17_5]).
15229nitro(d17,[d17_4,d17_10,d17_11,d17_12]).
15230benzene(d42,[d42_6,d42_1,d42_2,d42_3,d42_4,d42_5]).
15231hetero_aromatic_5_ring(d42,[d42_9,d42_4,d42_3,d42_7,d42_8]).
15232ring_size_6(d42,[d42_6,d42_1,d42_2,d42_3,d42_4,d42_5]).
15233ring_size_5(d42,[d42_9,d42_4,d42_3,d42_7,d42_8]).
15234nitro(d42,[d42_6,d42_11,d42_12,d42_13]).
15235benzene(d70,[d70_6,d70_1,d70_2,d70_3,d70_4,d70_5]).
15236ring_size_6(d70,[d70_6,d70_1,d70_2,d70_3,d70_4,d70_5]).
15237ring_size_5(d70,[d70_4,d70_12,d70_11,d70_10,d70_3]).
15238nitro(d70,[d70_6,d70_16,d70_17,d70_18]).
15239benzene(d77,[d77_6,d77_1,d77_2,d77_3,d77_4,d77_5]).
15240benzene(d77,[d77_16,d77_11,d77_12,d77_13,d77_14,d77_15]).
15241ring_size_6(d77,[d77_6,d77_1,d77_2,d77_3,d77_4,d77_5]).
15242ring_size_6(d77,[d77_16,d77_11,d77_12,d77_13,d77_14,d77_15]).
15243nitro(d77,[d77_6,d77_22,d77_23,d77_24]).
15244benzene(d89,[d89_6,d89_1,d89_2,d89_3,d89_4,d89_5]).
15245hetero_aromatic_5_ring(d89,[d89_9,d89_4,d89_3,d89_7,d89_8]).
15246ring_size_6(d89,[d89_6,d89_1,d89_2,d89_3,d89_4,d89_5]).
15247ring_size_5(d89,[d89_9,d89_4,d89_3,d89_7,d89_8]).
15248nitro(d89,[d89_2,d89_11,d89_12,d89_13]).
15249benzene(d98,[d98_6,d98_1,d98_2,d98_3,d98_4,d98_5]).
15250hetero_aromatic_6_ring(d98,[d98_4,d98_13,d98_12,d98_11,d98_10,d98_3]).
15251ring_size_6(d98,[d98_6,d98_1,d98_2,d98_3,d98_4,d98_5]).
15252ring_size_6(d98,[d98_4,d98_13,d98_12,d98_11,d98_10,d98_3]).
15253nitro(d98,[d98_5,d98_17,d98_18,d98_19]).
15254benzene(d111,[d111_6,d111_1,d111_2,d111_3,d111_4,d111_5]).
15255ring_size_6(d111,[d111_6,d111_1,d111_2,d111_3,d111_4,d111_5]).
15256nitro(d111,[d111_2,d111_14,d111_15,d111_16]).
15257benzene(d114,[d114_6,d114_1,d114_2,d114_3,d114_4,d114_5]).
15258benzene(d114,[d114_16,d114_11,d114_12,d114_13,d114_14,d114_15]).
15259ring_size_6(d114,[d114_6,d114_1,d114_2,d114_3,d114_4,d114_5]).
15260ring_size_6(d114,[d114_16,d114_11,d114_12,d114_13,d114_14,d114_15]).
15261nitro(d114,[d114_1,d114_22,d114_23,d114_24]).
15262benzene(d119,[d119_6,d119_1,d119_2,d119_3,d119_4,d119_5]).
15263benzene(d119,[d119_16,d119_11,d119_12,d119_13,d119_14,d119_15]).
15264ring_size_6(d119,[d119_6,d119_1,d119_2,d119_3,d119_4,d119_5]).
15265ring_size_6(d119,[d119_16,d119_11,d119_12,d119_13,d119_14,d119_15]).
15266nitro(d119,[d119_16,d119_20,d119_25,d119_26]).
15267nitro(d119,[d119_14,d119_21,d119_27,d119_28]).
15268nitro(d119,[d119_5,d119_22,d119_23,d119_24]).
15269benzene(d120,[d120_6,d120_1,d120_2,d120_3,d120_4,d120_5]).
15270hetero_aromatic_5_ring(d120,[d120_9,d120_4,d120_3,d120_7,d120_8]).
15271ring_size_6(d120,[d120_6,d120_1,d120_2,d120_3,d120_4,d120_5]).
15272ring_size_5(d120,[d120_9,d120_4,d120_3,d120_7,d120_8]).
15273nitro(d120,[d120_6,d120_11,d120_12,d120_13]).
15274benzene(d130,[d130_6,d130_1,d130_2,d130_3,d130_4,d130_5]).
15275ring_size_6(d130,[d130_6,d130_1,d130_2,d130_3,d130_4,d130_5]).
15276nitro(d130,[d130_4,d130_16,d130_17,d130_18]).
15277benzene(d131,[d131_6,d131_1,d131_2,d131_3,d131_4,d131_5]).
15278benzene(d131,[d131_21,d131_16,d131_17,d131_18,d131_19,d131_20]).
15279ring_size_6(d131,[d131_6,d131_1,d131_2,d131_3,d131_4,d131_5]).
15280ring_size_6(d131,[d131_21,d131_16,d131_17,d131_18,d131_19,d131_20]).
15281nitro(d131,[d131_2,d131_27,d131_28,d131_29]).
15282benzene(d132,[d132_6,d132_1,d132_2,d132_3,d132_4,d132_5]).
15283ring_size_6(d132,[d132_6,d132_1,d132_2,d132_3,d132_4,d132_5]).
15284nitro(d132,[d132_4,d132_14,d132_15,d132_16]).
15285benzene(d138,[d138_6,d138_1,d138_2,d138_3,d138_4,d138_5]).
15286hetero_aromatic_5_ring(d138,[d138_9,d138_4,d138_3,d138_7,d138_8]).
15287ring_size_6(d138,[d138_6,d138_1,d138_2,d138_3,d138_4,d138_5]).
15288ring_size_5(d138,[d138_9,d138_4,d138_3,d138_7,d138_8]).
15289nitro(d138,[d138_1,d138_11,d138_12,d138_13]).
15290benzene(d141,[d141_6,d141_1,d141_2,d141_3,d141_4,d141_5]).
15291ring_size_6(d141,[d141_6,d141_1,d141_2,d141_3,d141_4,d141_5]).
15292nitro(d141,[d141_5,d141_10,d141_13,d141_14]).
15293benzene(d144,[d144_6,d144_1,d144_2,d144_3,d144_4,d144_5]).
15294ring_size_6(d144,[d144_6,d144_1,d144_2,d144_3,d144_4,d144_5]).
15295nitro(d144,[d144_5,d144_10,d144_13,d144_14]).
15296benzene(d147,[d147_6,d147_1,d147_2,d147_3,d147_4,d147_5]).
15297hetero_aromatic_5_ring(d147,[d147_9,d147_4,d147_3,d147_7,d147_8]).
15298ring_size_6(d147,[d147_6,d147_1,d147_2,d147_3,d147_4,d147_5]).
15299ring_size_5(d147,[d147_9,d147_4,d147_3,d147_7,d147_8]).
15300nitro(d147,[d147_6,d147_11,d147_12,d147_13]).
15301benzene(d186,[d186_6,d186_1,d186_2,d186_3,d186_4,d186_5]).
15302ring_size_6(d186,[d186_6,d186_1,d186_2,d186_3,d186_4,d186_5]).
15303ring_size_5(d186,[d186_4,d186_12,d186_11,d186_10,d186_3]).
15304nitro(d186,[d186_6,d186_18,d186_19,d186_20]).
15305benzene(d188,[d188_6,d188_1,d188_2,d188_3,d188_4,d188_5]).
15306benzene(d188,[d188_16,d188_11,d188_12,d188_13,d188_14,d188_15]).
15307ring_size_6(d188,[d188_6,d188_1,d188_2,d188_3,d188_4,d188_5]).
15308ring_size_6(d188,[d188_16,d188_11,d188_12,d188_13,d188_14,d188_15]).
15309ring_size_5(d188,[d188_4,d188_16,d188_11,d188_20,d188_3]).
15310nitro(d188,[d188_14,d188_22,d188_23,d188_24]).
15311benzene(d3,[d3_6,d3_1,d3_2,d3_3,d3_4,d3_5]).
15312hetero_aromatic_6_ring(d3,[d3_4,d3_13,d3_12,d3_11,d3_10,d3_3]).
15313ring_size_6(d3,[d3_6,d3_1,d3_2,d3_3,d3_4,d3_5]).
15314ring_size_6(d3,[d3_4,d3_13,d3_12,d3_11,d3_10,d3_3]).
15315nitro(d3,[d3_5,d3_17,d3_18,d3_19]).
15316benzene(d5,[d5_6,d5_1,d5_2,d5_3,d5_4,d5_5]).
15317ring_size_6(d5,[d5_6,d5_1,d5_2,d5_3,d5_4,d5_5]).
15318nitro(d5,[d5_5,d5_10,d5_13,d5_14]).
15319benzene(d7,[d7_6,d7_1,d7_2,d7_3,d7_4,d7_5]).
15320benzene(d7,[d7_17,d7_12,d7_13,d7_14,d7_15,d7_16]).
15321ring_size_6(d7,[d7_6,d7_1,d7_2,d7_3,d7_4,d7_5]).
15322ring_size_6(d7,[d7_17,d7_12,d7_13,d7_14,d7_15,d7_16]).
15323nitro(d7,[d7_15,d7_25,d7_26,d7_27]).
15324benzene(d9,[d9_6,d9_1,d9_2,d9_3,d9_4,d9_5]).
15325hetero_aromatic_5_ring(d9,[d9_9,d9_3,d9_4,d9_7,d9_8]).
15326ring_size_6(d9,[d9_6,d9_1,d9_2,d9_3,d9_4,d9_5]).
15327ring_size_5(d9,[d9_9,d9_3,d9_4,d9_7,d9_8]).
15328nitro(d9,[d9_6,d9_10,d9_11,d9_12]).
15329benzene(d14,[d14_6,d14_1,d14_2,d14_3,d14_4,d14_5]).
15330hetero_aromatic_5_ring(d14,[d14_9,d14_3,d14_4,d14_7,d14_8]).
15331ring_size_6(d14,[d14_6,d14_1,d14_2,d14_3,d14_4,d14_5]).
15332ring_size_5(d14,[d14_9,d14_3,d14_4,d14_7,d14_8]).
15333nitro(d14,[d14_1,d14_11,d14_12,d14_13]).
15334benzene(d19,[d19_6,d19_1,d19_2,d19_3,d19_4,d19_5]).
15335hetero_aromatic_6_ring(d19,[d19_4,d19_13,d19_12,d19_11,d19_10,d19_3]).
15336ring_size_6(d19,[d19_6,d19_1,d19_2,d19_3,d19_4,d19_5]).
15337ring_size_6(d19,[d19_4,d19_13,d19_12,d19_11,d19_10,d19_3]).
15338nitro(d19,[d19_6,d19_17,d19_18,d19_19]).
15339benzene(d34,[d34_6,d34_1,d34_2,d34_3,d34_4,d34_5]).
15340benzene(d34,[d34_4,d34_14,d34_13,d34_12,d34_11,d34_3]).
15341ring_size_6(d34,[d34_6,d34_1,d34_2,d34_3,d34_4,d34_5]).
15342ring_size_6(d34,[d34_4,d34_14,d34_13,d34_12,d34_11,d34_3]).
15343nitro(d34,[d34_13,d34_18,d34_19,d34_20]).
15344benzene(d36,[d36_6,d36_1,d36_2,d36_3,d36_4,d36_5]).
15345benzene(d36,[d36_4,d36_14,d36_13,d36_12,d36_11,d36_3]).
15346ring_size_6(d36,[d36_6,d36_1,d36_2,d36_3,d36_4,d36_5]).
15347ring_size_6(d36,[d36_4,d36_14,d36_13,d36_12,d36_11,d36_3]).
15348nitro(d36,[d36_13,d36_21,d36_22,d36_23]).
15349benzene(d38,[d38_6,d38_1,d38_2,d38_3,d38_4,d38_5]).
15350benzene(d38,[d38_17,d38_12,d38_13,d38_14,d38_15,d38_16]).
15351ring_size_6(d38,[d38_6,d38_1,d38_2,d38_3,d38_4,d38_5]).
15352ring_size_6(d38,[d38_17,d38_12,d38_13,d38_14,d38_15,d38_16]).
15353nitro(d38,[d38_15,d38_22,d38_23,d38_24]).
15354benzene(d39,[d39_6,d39_1,d39_2,d39_3,d39_4,d39_5]).
15355hetero_aromatic_6_ring(d39,[d39_9,d39_10,d39_11,d39_12,d39_4,d39_3]).
15356ring_size_6(d39,[d39_6,d39_1,d39_2,d39_3,d39_4,d39_5]).
15357ring_size_6(d39,[d39_9,d39_10,d39_11,d39_12,d39_4,d39_3]).
15358nitro(d39,[d39_2,d39_16,d39_17,d39_18]).
15359benzene(d40,[d40_6,d40_1,d40_2,d40_3,d40_4,d40_5]).
15360benzene(d40,[d40_4,d40_14,d40_13,d40_12,d40_11,d40_3]).
15361ring_size_6(d40,[d40_6,d40_1,d40_2,d40_3,d40_4,d40_5]).
15362ring_size_6(d40,[d40_4,d40_14,d40_13,d40_12,d40_11,d40_3]).
15363nitro(d40,[d40_14,d40_18,d40_19,d40_20]).
15364benzene(d55,[d55_6,d55_1,d55_2,d55_3,d55_4,d55_5]).
15365benzene(d55,[d55_4,d55_14,d55_13,d55_12,d55_11,d55_3]).
15366ring_size_6(d55,[d55_6,d55_1,d55_2,d55_3,d55_4,d55_5]).
15367ring_size_6(d55,[d55_4,d55_14,d55_13,d55_12,d55_11,d55_3]).
15368nitro(d55,[d55_13,d55_21,d55_22,d55_23]).
15369benzene(d62,[d62_6,d62_1,d62_2,d62_3,d62_4,d62_5]).
15370ring_size_6(d62,[d62_6,d62_1,d62_2,d62_3,d62_4,d62_5]).
15371nitro(d62,[d62_1,d62_13,d62_14,d62_15]).
15372benzene(d65,[d65_6,d65_1,d65_2,d65_3,d65_4,d65_5]).
15373benzene(d65,[d65_4,d65_14,d65_13,d65_12,d65_11,d65_3]).
15374ring_size_6(d65,[d65_6,d65_1,d65_2,d65_3,d65_4,d65_5]).
15375ring_size_6(d65,[d65_4,d65_14,d65_13,d65_12,d65_11,d65_3]).
15376nitro(d65,[d65_14,d65_17,d65_19,d65_20]).
15377nitro(d65,[d65_12,d65_18,d65_21,d65_22]).
15378benzene(d66,[d66_6,d66_1,d66_2,d66_3,d66_4,d66_5]).
15379benzene(d66,[d66_16,d66_11,d66_12,d66_13,d66_14,d66_15]).
15380ring_size_6(d66,[d66_6,d66_1,d66_2,d66_3,d66_4,d66_5]).
15381ring_size_6(d66,[d66_16,d66_11,d66_12,d66_13,d66_14,d66_15]).
15382nitro(d66,[d66_6,d66_22,d66_23,d66_24]).
15383benzene(d73,[d73_6,d73_1,d73_2,d73_3,d73_4,d73_5]).
15384benzene(d73,[d73_16,d73_11,d73_12,d73_13,d73_14,d73_15]).
15385ring_size_6(d73,[d73_6,d73_1,d73_2,d73_3,d73_4,d73_5]).
15386ring_size_6(d73,[d73_16,d73_11,d73_12,d73_13,d73_14,d73_15]).
15387nitro(d73,[d73_5,d73_22,d73_23,d73_24]).
15388benzene(d76,[d76_6,d76_1,d76_2,d76_3,d76_4,d76_5]).
15389ring_size_6(d76,[d76_6,d76_1,d76_2,d76_3,d76_4,d76_5]).
15390nitro(d76,[d76_5,d76_11,d76_13,d76_14]).
15391benzene(d78,[d78_6,d78_1,d78_2,d78_3,d78_4,d78_5]).
15392benzene(d78,[d78_16,d78_11,d78_12,d78_13,d78_14,d78_15]).
15393ring_size_6(d78,[d78_6,d78_1,d78_2,d78_3,d78_4,d78_5]).
15394ring_size_6(d78,[d78_16,d78_11,d78_12,d78_13,d78_14,d78_15]).
15395nitro(d78,[d78_14,d78_25,d78_26,d78_27]).
15396benzene(d84,[d84_6,d84_1,d84_2,d84_3,d84_4,d84_5]).
15397ring_size_6(d84,[d84_6,d84_1,d84_2,d84_3,d84_4,d84_5]).
15398nitro(d84,[d84_2,d84_16,d84_17,d84_18]).
15399benzene(d88,[d88_6,d88_1,d88_2,d88_3,d88_4,d88_5]).
15400ring_size_6(d88,[d88_6,d88_1,d88_2,d88_3,d88_4,d88_5]).
15401nitro(d88,[d88_2,d88_17,d88_18,d88_19]).
15402benzene(d100,[d100_6,d100_1,d100_2,d100_3,d100_4,d100_5]).
15403benzene(d100,[d100_16,d100_11,d100_12,d100_13,d100_14,d100_15]).
15404ring_size_6(d100,[d100_6,d100_1,d100_2,d100_3,d100_4,d100_5]).
15405ring_size_6(d100,[d100_16,d100_11,d100_12,d100_13,d100_14,d100_15]).
15406nitro(d100,[d100_6,d100_22,d100_23,d100_24]).
15407benzene(d110,[d110_6,d110_1,d110_2,d110_3,d110_4,d110_5]).
15408benzene(d110,[d110_15,d110_10,d110_11,d110_12,d110_13,d110_14]).
15409ring_size_6(d110,[d110_6,d110_1,d110_2,d110_3,d110_4,d110_5]).
15410ring_size_6(d110,[d110_15,d110_10,d110_11,d110_12,d110_13,d110_14]).
15411nitro(d110,[d110_15,d110_19,d110_25,d110_26]).
15412nitro(d110,[d110_13,d110_20,d110_27,d110_28]).
15413nitro(d110,[d110_5,d110_21,d110_23,d110_24]).
15414nitro(d110,[d110_3,d110_22,d110_29,d110_30]).
15415benzene(d113,[d113_6,d113_1,d113_2,d113_3,d113_4,d113_5]).
15416ring_size_6(d113,[d113_6,d113_1,d113_2,d113_3,d113_4,d113_5]).
15417nitro(d113,[d113_4,d113_11,d113_13,d113_14]).
15418nitro(d113,[d113_2,d113_12,d113_15,d113_16]).
15419benzene(d116,[d116_6,d116_1,d116_2,d116_3,d116_4,d116_5]).
15420ring_size_6(d116,[d116_6,d116_1,d116_2,d116_3,d116_4,d116_5]).
15421nitro(d116,[d116_5,d116_11,d116_13,d116_14]).
15422benzene(d123,[d123_6,d123_1,d123_2,d123_3,d123_4,d123_5]).
15423benzene(d123,[d123_16,d123_11,d123_12,d123_13,d123_14,d123_15]).
15424ring_size_6(d123,[d123_6,d123_1,d123_2,d123_3,d123_4,d123_5]).
15425ring_size_6(d123,[d123_16,d123_11,d123_12,d123_13,d123_14,d123_15]).
15426nitro(d123,[d123_14,d123_28,d123_29,d123_30]).
15427benzene(d124,[d124_6,d124_1,d124_2,d124_3,d124_4,d124_5]).
15428ring_size_6(d124,[d124_6,d124_1,d124_2,d124_3,d124_4,d124_5]).
15429nitro(d124,[d124_5,d124_10,d124_13,d124_14]).
15430benzene(d129,[d129_6,d129_1,d129_2,d129_3,d129_4,d129_5]).
15431ring_size_6(d129,[d129_6,d129_1,d129_2,d129_3,d129_4,d129_5]).
15432nitro(d129,[d129_4,d129_15,d129_17,d129_18]).
15433nitro(d129,[d129_2,d129_16,d129_19,d129_20]).
15434benzene(d133,[d133_6,d133_1,d133_2,d133_3,d133_4,d133_5]).
15435benzene(d133,[d133_16,d133_11,d133_10,d133_13,d133_14,d133_15]).
15436ring_size_6(d133,[d133_6,d133_1,d133_2,d133_3,d133_4,d133_5]).
15437ring_size_6(d133,[d133_9,d133_10,d133_11,d133_12,d133_4,d133_3]).
15438ring_size_6(d133,[d133_16,d133_11,d133_10,d133_13,d133_14,d133_15]).
15439nitro(d133,[d133_15,d133_18,d133_23,d133_24]).
15440benzene(d135,[d135_6,d135_1,d135_2,d135_3,d135_4,d135_5]).
15441ring_size_6(d135,[d135_6,d135_1,d135_2,d135_3,d135_4,d135_5]).
15442nitro(d135,[d135_5,d135_10,d135_11,d135_12]).
15443benzene(d139,[d139_6,d139_1,d139_2,d139_3,d139_4,d139_5]).
15444ring_size_6(d139,[d139_6,d139_1,d139_2,d139_3,d139_4,d139_5]).
15445nitro(d139,[d139_4,d139_13,d139_15,d139_16]).
15446benzene(d142,[d142_6,d142_1,d142_2,d142_3,d142_4,d142_5]).
15447benzene(d142,[d142_16,d142_11,d142_10,d142_13,d142_14,d142_15]).
15448ring_size_6(d142,[d142_6,d142_1,d142_2,d142_3,d142_4,d142_5]).
15449ring_size_6(d142,[d142_9,d142_10,d142_11,d142_12,d142_4,d142_3]).
15450ring_size_6(d142,[d142_16,d142_11,d142_10,d142_13,d142_14,d142_15]).
15451nitro(d142,[d142_6,d142_19,d142_20,d142_21]).
15452benzene(d143,[d143_6,d143_1,d143_2,d143_3,d143_4,d143_5]).
15453benzene(d143,[d143_17,d143_12,d143_13,d143_14,d143_15,d143_16]).
15454ring_size_6(d143,[d143_6,d143_1,d143_2,d143_3,d143_4,d143_5]).
15455ring_size_6(d143,[d143_17,d143_12,d143_13,d143_14,d143_15,d143_16]).
15456nitro(d143,[d143_4,d143_23,d143_24,d143_25]).
15457hetero_aromatic_5_ring(d150,[d150_5,d150_1,d150_2,d150_3,d150_4]).
15458ring_size_5(d150,[d150_5,d150_1,d150_2,d150_3,d150_4]).
15459nitro(d150,[d150_1,d150_6,d150_7,d150_8]).
15460benzene(d154,[d154_6,d154_1,d154_2,d154_3,d154_4,d154_5]).
15461hetero_aromatic_5_ring(d154,[d154_9,d154_4,d154_3,d154_7,d154_8]).
15462ring_size_6(d154,[d154_6,d154_1,d154_2,d154_3,d154_4,d154_5]).
15463ring_size_5(d154,[d154_9,d154_4,d154_3,d154_7,d154_8]).
15464nitro(d154,[d154_8,d154_10,d154_11,d154_12]).
15465benzene(d155,[d155_6,d155_1,d155_2,d155_3,d155_4,d155_5]).
15466ring_size_6(d155,[d155_6,d155_1,d155_2,d155_3,d155_4,d155_5]).
15467nitro(d155,[d155_4,d155_15,d155_17,d155_18]).
15468nitro(d155,[d155_2,d155_16,d155_19,d155_20]).
15469benzene(d156,[d156_6,d156_1,d156_2,d156_3,d156_4,d156_5]).
15470ring_size_6(d156,[d156_6,d156_1,d156_2,d156_3,d156_4,d156_5]).
15471ring_size_5(d156,[d156_4,d156_12,d156_11,d156_10,d156_3]).
15472nitro(d156,[d156_1,d156_18,d156_19,d156_20]).
15473benzene(d160,[d160_6,d160_1,d160_2,d160_3,d160_4,d160_5]).
15474ring_size_6(d160,[d160_6,d160_1,d160_2,d160_3,d160_4,d160_5]).
15475nitro(d160,[d160_2,d160_13,d160_17,d160_18]).
15476nitro(d160,[d160_6,d160_14,d160_15,d160_16]).
15477benzene(d168,[d168_6,d168_1,d168_2,d168_3,d168_4,d168_5]).
15478ring_size_6(d168,[d168_6,d168_1,d168_2,d168_3,d168_4,d168_5]).
15479nitro(d168,[d168_2,d168_16,d168_17,d168_18]).
15480benzene(d175,[d175_6,d175_1,d175_2,d175_3,d175_4,d175_5]).
15481benzene(d175,[d175_16,d175_11,d175_10,d175_13,d175_14,d175_15]).
15482ring_size_6(d175,[d175_6,d175_1,d175_2,d175_3,d175_4,d175_5]).
15483ring_size_6(d175,[d175_9,d175_10,d175_11,d175_12,d175_4,d175_3]).
15484ring_size_6(d175,[d175_16,d175_11,d175_10,d175_13,d175_14,d175_15]).
15485nitro(d175,[d175_14,d175_17,d175_18,d175_19]).
15486benzene(d179,[d179_6,d179_1,d179_2,d179_3,d179_4,d179_5]).
15487benzene(d179,[d179_21,d179_16,d179_17,d179_18,d179_19,d179_20]).
15488ring_size_6(d179,[d179_6,d179_1,d179_2,d179_3,d179_4,d179_5]).
15489ring_size_6(d179,[d179_21,d179_16,d179_17,d179_18,d179_19,d179_20]).
15490nitro(d179,[d179_2,d179_26,d179_27,d179_28]).
15491nitro(d179,[d179_19,d179_29,d179_30,d179_31]).
15492benzene(d181,[d181_6,d181_1,d181_2,d181_3,d181_4,d181_5]).
15493ring_size_6(d181,[d181_6,d181_1,d181_2,d181_3,d181_4,d181_5]).
15494nitro(d181,[d181_4,d181_12,d181_13,d181_14]).
15495benzene(d182,[d182_6,d182_1,d182_2,d182_3,d182_4,d182_5]).
15496hetero_aromatic_6_ring(d182,[d182_4,d182_13,d182_12,d182_11,d182_10,d182_3]).
15497ring_size_6(d182,[d182_6,d182_1,d182_2,d182_3,d182_4,d182_5]).
15498ring_size_6(d182,[d182_4,d182_13,d182_12,d182_11,d182_10,d182_3]).
15499nitro(d182,[d182_2,d182_20,d182_21,d182_22]).
15500benzene(d185,[d185_6,d185_1,d185_2,d185_3,d185_4,d185_5]).
15501ring_size_6(d185,[d185_6,d185_1,d185_2,d185_3,d185_4,d185_5]).
15502nitro(d185,[d185_3,d185_11,d185_15,d185_16]).
15503nitro(d185,[d185_2,d185_12,d185_13,d185_14]).
15504benzene(d190,[d190_6,d190_1,d190_2,d190_3,d190_4,d190_5]).
15505hetero_aromatic_5_ring(d190,[d190_9,d190_4,d190_3,d190_7,d190_8]).
15506ring_size_6(d190,[d190_6,d190_1,d190_2,d190_3,d190_4,d190_5]).
15507ring_size_5(d190,[d190_9,d190_4,d190_3,d190_7,d190_8]).
15508nitro(d190,[d190_6,d190_10,d190_11,d190_12]).
15509benzene(d191,[d191_6,d191_1,d191_2,d191_3,d191_4,d191_5]).
15510benzene(d191,[d191_9,d191_10,d191_5,d191_4,d191_7,d191_8]).
15511benzene(d191,[d191_8,d191_14,d191_13,d191_12,d191_11,d191_7]).
15512benzene(d191,[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4]).
15513carbon_5_aromatic_ring(d191,[d191_18,d191_16,d191_11,d191_12,d191_17]).
15514ring_size_6(d191,[d191_6,d191_1,d191_2,d191_3,d191_4,d191_5]).
15515ring_size_6(d191,[d191_9,d191_10,d191_5,d191_4,d191_7,d191_8]).
15516ring_size_6(d191,[d191_8,d191_14,d191_13,d191_12,d191_11,d191_7]).
15517ring_size_6(d191,[d191_7,d191_11,d191_16,d191_15,d191_3,d191_4]).
15518ring_size_5(d191,[d191_18,d191_16,d191_11,d191_12,d191_17]).
15519nitro(d191,[d191_18,d191_28,d191_29,d191_30]).
15520phenanthrene(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]]).
15521ball3(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]]).
15522ball3(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]]).
15523benzene(d194,[d194_6,d194_1,d194_2,d194_3,d194_4,d194_5]).
15524ring_size_6(d194,[d194_6,d194_1,d194_2,d194_3,d194_4,d194_5]).
15525nitro(d194,[d194_2,d194_11,d194_14,d194_15]).
15526benzene(d197,[d197_6,d197_1,d197_2,d197_3,d197_4,d197_5]).
15527hetero_aromatic_5_ring(d197,[d197_9,d197_4,d197_3,d197_7,d197_8]).
15528ring_size_6(d197,[d197_6,d197_1,d197_2,d197_3,d197_4,d197_5]).
15529ring_size_5(d197,[d197_9,d197_4,d197_3,d197_7,d197_8]).
15530nitro(d197,[d197_8,d197_11,d197_12,d197_13]).
15531benzene(e1,[e1_6,e1_1,e1_2,e1_3,e1_4,e1_5]).
15532benzene(e1,[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3]).
15533benzene(e1,[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]).
15534benzene(e1,[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22]).
15535benzene(e1,[e1_28,e1_21,e1_18,e1_17,e1_26,e1_27]).
15536ring_size_6(e1,[e1_6,e1_1,e1_2,e1_3,e1_4,e1_5]).
15537ring_size_6(e1,[e1_4,e1_14,e1_13,e1_12,e1_11,e1_3]).
15538ring_size_6(e1,[e1_18,e1_13,e1_12,e1_15,e1_16,e1_17]).
15539ring_size_6(e1,[e1_23,e1_14,e1_13,e1_18,e1_21,e1_22]).
15540ring_size_6(e1,[e1_28,e1_21,e1_18,e1_17,e1_26,e1_27]).
15541nitro(e1,[e1_11,e1_32,e1_33,e1_34]).
15542anthracene(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]]).
15543phenanthrene(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]]).
15544ball3(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]]).
15545ball3(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]]).
15546benzene(e2,[e2_6,e2_1,e2_2,e2_3,e2_4,e2_5]).
15547benzene(e2,[e2_9,e2_10,e2_4,e2_3,e2_7,e2_8]).
15548benzene(e2,[e2_9,e2_10,e2_17,e2_16,e2_15,e2_14]).
15549benzene(e2,[e2_20,e2_15,e2_14,e2_13,e2_18,e2_19]).
15550carbon_6_ring(e2,[e2_9,e2_14,e2_13,e2_12,e2_11,e2_8]).
15551ring_size_6(e2,[e2_6,e2_1,e2_2,e2_3,e2_4,e2_5]).
15552ring_size_6(e2,[e2_9,e2_10,e2_4,e2_3,e2_7,e2_8]).
15553ring_size_6(e2,[e2_9,e2_10,e2_17,e2_16,e2_15,e2_14]).
15554ring_size_6(e2,[e2_9,e2_14,e2_13,e2_12,e2_11,e2_8]).
15555ring_size_6(e2,[e2_20,e2_15,e2_14,e2_13,e2_18,e2_19]).
15556nitro(e2,[e2_7,e2_21,e2_22,e2_23]).
15557phenanthrene(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]]).
15558benzene(e27,[e27_6,e27_1,e27_2,e27_3,e27_4,e27_5]).
15559benzene(e27,[e27_5,e27_13,e27_12,e27_11,e27_10,e27_4]).
15560benzene(e27,[e27_29,e27_20,e27_18,e27_17,e27_27,e27_28]).
15561benzene(e27,[e27_23,e27_19,e27_18,e27_20,e27_21,e27_22]).
15562carbon_6_ring(e27,[e27_4,e27_10,e27_19,e27_18,e27_17,e27_3]).
15563ring_size_6(e27,[e27_6,e27_1,e27_2,e27_3,e27_4,e27_5]).
15564ring_size_6(e27,[e27_5,e27_13,e27_12,e27_11,e27_10,e27_4]).
15565ring_size_6(e27,[e27_4,e27_10,e27_19,e27_18,e27_17,e27_3]).
15566ring_size_6(e27,[e27_29,e27_20,e27_18,e27_17,e27_27,e27_28]).
15567ring_size_6(e27,[e27_23,e27_19,e27_18,e27_20,e27_21,e27_22]).
15568nitro(e27,[e27_29,e27_32,e27_33,e27_34]).
15569hetero_aromatic_5_ring(f1,[f1_5,f1_1,f1_2,f1_3,f1_4]).
15570ring_size_5(f1,[f1_5,f1_1,f1_2,f1_3,f1_4]).
15571nitro(f1,[f1_4,f1_8,f1_10,f1_9]).
15572carbon_5_aromatic_ring(f2,[f2_5,f2_1,f2_2,f2_3,f2_4]).
15573ring_size_5(f2,[f2_5,f2_1,f2_2,f2_3,f2_4]).
15574nitro(f2,[f2_1,f2_9,f2_10,f2_11]).
15575hetero_aromatic_5_ring(f3,[f3_5,f3_1,f3_2,f3_3,f3_4]).
15576ring_size_5(f3,[f3_5,f3_1,f3_2,f3_3,f3_4]).
15577nitro(f3,[f3_4,f3_8,f3_10,f3_9]).
15578hetero_aromatic_5_ring(f4,[f4_5,f4_1,f4_2,f4_3,f4_4]).
15579ring_size_5(f4,[f4_5,f4_1,f4_2,f4_3,f4_4]).
15580ring_size_5(f4,[f4_22,f4_18,f4_15,f4_17,f4_19]).
15581nitro(f4,[f4_4,f4_8,f4_10,f4_9]).
15582hetero_aromatic_5_ring(f5,[f5_5,f5_1,f5_2,f5_3,f5_4]).
15583ring_size_5(f5,[f5_5,f5_1,f5_2,f5_3,f5_4]).
15584ring_size_5(f5,[f5_9,f5_10,f5_6,f5_7,f5_8]).
15585nitro(f5,[f5_4,f5_16,f5_17,f5_18]).
15586hetero_aromatic_5_ring(f6,[f6_5,f6_1,f6_2,f6_3,f6_4]).
15587ring_size_5(f6,[f6_5,f6_1,f6_2,f6_3,f6_4]).
15588ring_size_5(f6,[f6_20,f6_16,f6_14,f6_15,f6_17]).
15589nitro(f6,[f6_4,f6_8,f6_10,f6_9]).
15590benzene(d189,[d189_6,d189_1,d189_2,d189_3,d189_4,d189_5]).
15591benzene(d189,[d189_9,d189_10,d189_11,d189_12,d189_4,d189_3]).
15592ring_size_6(d189,[d189_6,d189_1,d189_2,d189_3,d189_4,d189_5]).
15593ring_size_6(d189,[d189_9,d189_10,d189_11,d189_12,d189_4,d189_3]).
15594nitro(d189,[d189_12,d189_15,d189_21,d189_22]).
15595nitro(d189,[d189_10,d189_16,d189_23,d189_24]).
15596nitro(d189,[d189_5,d189_17,d189_19,d189_20]).
15597nitro(d189,[d189_1,d189_18,d189_25,d189_26]).
15598benzene(d192,[d192_6,d192_1,d192_2,d192_3,d192_4,d192_5]).
15599benzene(d192,[d192_4,d192_14,d192_13,d192_12,d192_11,d192_3]).
15600benzene(d192,[d192_19,d192_14,d192_13,d192_16,d192_17,d192_18]).
15601benzene(d192,[d192_25,d192_17,d192_16,d192_22,d192_23,d192_24]).
15602ring_size_6(d192,[d192_6,d192_1,d192_2,d192_3,d192_4,d192_5]).
15603ring_size_6(d192,[d192_4,d192_14,d192_13,d192_12,d192_11,d192_3]).
15604ring_size_6(d192,[d192_19,d192_14,d192_13,d192_16,d192_17,d192_18]).
15605ring_size_6(d192,[d192_25,d192_17,d192_16,d192_22,d192_23,d192_24]).
15606nitro(d192,[d192_12,d192_30,d192_31,d192_32]).
15607phenanthrene(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]]).
15608benzene(d193,[d193_6,d193_1,d193_2,d193_3,d193_4,d193_5]).
15609benzene(d193,[d193_4,d193_14,d193_13,d193_12,d193_11,d193_3]).
15610benzene(d193,[d193_19,d193_14,d193_13,d193_16,d193_17,d193_18]).
15611benzene(d193,[d193_25,d193_17,d193_16,d193_22,d193_23,d193_24]).
15612ring_size_6(d193,[d193_6,d193_1,d193_2,d193_3,d193_4,d193_5]).
15613ring_size_6(d193,[d193_4,d193_14,d193_13,d193_12,d193_11,d193_3]).
15614ring_size_6(d193,[d193_19,d193_14,d193_13,d193_16,d193_17,d193_18]).
15615ring_size_6(d193,[d193_25,d193_17,d193_16,d193_22,d193_23,d193_24]).
15616nitro(d193,[d193_24,d193_30,d193_31,d193_32]).
15617phenanthrene(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]]).
15618benzene(d195,[d195_6,d195_1,d195_2,d195_3,d195_4,d195_5]).
15619ring_size_6(d195,[d195_6,d195_1,d195_2,d195_3,d195_4,d195_5]).
15620nitro(d195,[d195_2,d195_12,d195_13,d195_14]).
15621benzene(d196,[d196_6,d196_1,d196_2,d196_3,d196_4,d196_5]).
15622benzene(d196,[d196_16,d196_11,d196_12,d196_13,d196_14,d196_15]).
15623ring_size_6(d196,[d196_6,d196_1,d196_2,d196_3,d196_4,d196_5]).
15624ring_size_6(d196,[d196_16,d196_11,d196_12,d196_13,d196_14,d196_15]).
15625ring_size_5(d196,[d196_4,d196_16,d196_11,d196_19,d196_3]).
15626nitro(d196,[d196_15,d196_22,d196_23,d196_24]).
15627benzene(e3,[e3_6,e3_1,e3_2,e3_3,e3_4,e3_5]).
15628ring_size_6(e3,[e3_6,e3_1,e3_2,e3_3,e3_4,e3_5]).
15629ring_size_5(e3,[e3_4,e3_12,e3_11,e3_10,e3_3]).
15630nitro(e3,[e3_6,e3_17,e3_18,e3_19]).
15631benzene(e4,[e4_6,e4_1,e4_2,e4_3,e4_4,e4_5]).
15632hetero_aromatic_5_ring(e4,[e4_9,e4_4,e4_3,e4_7,e4_8]).
15633ring_size_6(e4,[e4_6,e4_1,e4_2,e4_3,e4_4,e4_5]).
15634ring_size_5(e4,[e4_9,e4_4,e4_3,e4_7,e4_8]).
15635nitro(e4,[e4_6,e4_11,e4_12,e4_13]).
15636benzene(e5,[e5_6,e5_1,e5_2,e5_3,e5_4,e5_5]).
15637ring_size_6(e5,[e5_6,e5_1,e5_2,e5_3,e5_4,e5_5]).
15638nitro(e5,[e5_5,e5_12,e5_13,e5_14]).
15639benzene(e6,[e6_6,e6_1,e6_2,e6_3,e6_4,e6_5]).
15640hetero_aromatic_5_ring(e6,[e6_9,e6_4,e6_3,e6_7,e6_8]).
15641ring_size_6(e6,[e6_6,e6_1,e6_2,e6_3,e6_4,e6_5]).
15642ring_size_5(e6,[e6_9,e6_4,e6_3,e6_7,e6_8]).
15643nitro(e6,[e6_2,e6_11,e6_12,e6_13]).
15644benzene(e7,[e7_6,e7_1,e7_2,e7_3,e7_4,e7_5]).
15645hetero_aromatic_5_ring(e7,[e7_9,e7_4,e7_3,e7_7,e7_8]).
15646ring_size_6(e7,[e7_6,e7_1,e7_2,e7_3,e7_4,e7_5]).
15647ring_size_5(e7,[e7_9,e7_4,e7_3,e7_7,e7_8]).
15648nitro(e7,[e7_5,e7_10,e7_11,e7_12]).
15649benzene(e8,[e8_6,e8_1,e8_2,e8_3,e8_4,e8_5]).
15650hetero_aromatic_5_ring(e8,[e8_9,e8_4,e8_3,e8_7,e8_8]).
15651ring_size_6(e8,[e8_6,e8_1,e8_2,e8_3,e8_4,e8_5]).
15652ring_size_5(e8,[e8_9,e8_4,e8_3,e8_7,e8_8]).
15653nitro(e8,[e8_6,e8_10,e8_11,e8_12]).
15654benzene(e9,[e9_6,e9_1,e9_2,e9_3,e9_4,e9_5]).
15655ring_size_6(e9,[e9_6,e9_1,e9_2,e9_3,e9_4,e9_5]).
15656nitro(e9,[e9_5,e9_11,e9_13,e9_14]).
15657benzene(e10,[e10_6,e10_1,e10_2,e10_3,e10_4,e10_5]).
15658hetero_aromatic_5_ring(e10,[e10_9,e10_4,e10_3,e10_7,e10_8]).
15659ring_size_6(e10,[e10_6,e10_1,e10_2,e10_3,e10_4,e10_5]).
15660ring_size_5(e10,[e10_9,e10_4,e10_3,e10_7,e10_8]).
15661nitro(e10,[e10_2,e10_10,e10_11,e10_12]).
15662benzene(e11,[e11_6,e11_1,e11_2,e11_3,e11_4,e11_5]).
15663ring_size_6(e11,[e11_6,e11_1,e11_2,e11_3,e11_4,e11_5]).
15664nitro(e11,[e11_5,e11_10,e11_11,e11_12]).
15665benzene(e12,[e12_6,e12_1,e12_2,e12_3,e12_4,e12_5]).
15666ring_size_6(e12,[e12_6,e12_1,e12_2,e12_3,e12_4,e12_5]).
15667nitro(e12,[e12_5,e12_10,e12_11,e12_12]).
15668nitro(e12,[e12_4,e12_14,e12_15,e12_16]).
15669benzene(e13,[e13_6,e13_1,e13_2,e13_3,e13_4,e13_5]).
15670ring_size_6(e13,[e13_6,e13_1,e13_2,e13_3,e13_4,e13_5]).
15671nitro(e13,[e13_5,e13_10,e13_11,e13_12]).
15672benzene(e14,[e14_6,e14_1,e14_2,e14_3,e14_4,e14_5]).
15673ring_size_6(e14,[e14_6,e14_1,e14_2,e14_3,e14_4,e14_5]).
15674nitro(e14,[e14_5,e14_9,e14_10,e14_11]).
15675benzene(e15,[e15_6,e15_1,e15_2,e15_3,e15_4,e15_5]).
15676benzene(e15,[e15_4,e15_14,e15_13,e15_12,e15_11,e15_3]).
15677benzene(e15,[e15_19,e15_13,e15_12,e15_16,e15_17,e15_18]).
15678benzene(e15,[e15_25,e15_19,e15_18,e15_22,e15_23,e15_24]).
15679ring_size_6(e15,[e15_6,e15_1,e15_2,e15_3,e15_4,e15_5]).
15680ring_size_6(e15,[e15_4,e15_14,e15_13,e15_12,e15_11,e15_3]).
15681ring_size_6(e15,[e15_19,e15_13,e15_12,e15_16,e15_17,e15_18]).
15682ring_size_6(e15,[e15_25,e15_19,e15_18,e15_22,e15_23,e15_24]).
15683nitro(e15,[e15_11,e15_30,e15_31,e15_32]).
15684anthracene(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]]).
15685benzene(e16,[e16_6,e16_1,e16_2,e16_3,e16_4,e16_5]).
15686ring_size_6(e16,[e16_6,e16_1,e16_2,e16_3,e16_4,e16_5]).
15687nitro(e16,[e16_5,e16_9,e16_10,e16_11]).
15688benzene(e17,[e17_6,e17_1,e17_2,e17_3,e17_4,e17_5]).
15689benzene(e17,[e17_4,e17_14,e17_13,e17_12,e17_11,e17_3]).
15690benzene(e17,[e17_19,e17_13,e17_12,e17_16,e17_17,e17_18]).
15691ring_size_6(e17,[e17_6,e17_1,e17_2,e17_3,e17_4,e17_5]).
15692ring_size_6(e17,[e17_4,e17_14,e17_13,e17_12,e17_11,e17_3]).
15693ring_size_6(e17,[e17_19,e17_13,e17_12,e17_16,e17_17,e17_18]).
15694nitro(e17,[e17_14,e17_24,e17_25,e17_26]).
15695anthracene(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]]).
15696benzene(e18,[e18_6,e18_1,e18_2,e18_3,e18_4,e18_5]).
15697ring_size_6(e18,[e18_6,e18_1,e18_2,e18_3,e18_4,e18_5]).
15698nitro(e18,[e18_5,e18_9,e18_10,e18_11]).
15699benzene(e19,[e19_6,e19_1,e19_2,e19_3,e19_4,e19_5]).
15700benzene(e19,[e19_9,e19_10,e19_4,e19_3,e19_7,e19_8]).
15701carbon_6_ring(e19,[e19_9,e19_14,e19_13,e19_12,e19_11,e19_8]).
15702ring_size_6(e19,[e19_6,e19_1,e19_2,e19_3,e19_4,e19_5]).
15703ring_size_6(e19,[e19_9,e19_10,e19_4,e19_3,e19_7,e19_8]).
15704ring_size_6(e19,[e19_9,e19_14,e19_13,e19_12,e19_11,e19_8]).
15705nitro(e19,[e19_10,e19_15,e19_16,e19_17]).
15706benzene(e20,[e20_6,e20_1,e20_2,e20_3,e20_4,e20_5]).
15707benzene(e20,[e20_9,e20_10,e20_4,e20_3,e20_7,e20_8]).
15708carbon_6_ring(e20,[e20_9,e20_14,e20_13,e20_12,e20_11,e20_8]).
15709ring_size_6(e20,[e20_6,e20_1,e20_2,e20_3,e20_4,e20_5]).
15710ring_size_6(e20,[e20_9,e20_10,e20_4,e20_3,e20_7,e20_8]).
15711ring_size_6(e20,[e20_9,e20_14,e20_13,e20_12,e20_11,e20_8]).
15712nitro(e20,[e20_10,e20_15,e20_16,e20_17]).
15713benzene(e21,[e21_9,e21_10,e21_4,e21_3,e21_7,e21_8]).
15714benzene(e21,[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14]).
15715benzene(e21,[e21_9,e21_14,e21_13,e21_12,e21_11,e21_8]).
15716benzene(e21,[e21_20,e21_15,e21_14,e21_13,e21_18,e21_19]).
15717carbon_6_ring(e21,[e21_6,e21_1,e21_2,e21_3,e21_4,e21_5]).
15718ring_size_6(e21,[e21_6,e21_1,e21_2,e21_3,e21_4,e21_5]).
15719ring_size_6(e21,[e21_9,e21_10,e21_4,e21_3,e21_7,e21_8]).
15720ring_size_6(e21,[e21_9,e21_10,e21_17,e21_16,e21_15,e21_14]).
15721ring_size_6(e21,[e21_9,e21_14,e21_13,e21_12,e21_11,e21_8]).
15722ring_size_6(e21,[e21_20,e21_15,e21_14,e21_13,e21_18,e21_19]).
15723nitro(e21,[e21_7,e21_21,e21_22,e21_23]).
15724phenanthrene(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]]).
15725ball3(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]]).
15726ball3(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]]).
15727benzene(e22,[e22_9,e22_10,e22_4,e22_3,e22_7,e22_8]).
15728benzene(e22,[e22_9,e22_14,e22_13,e22_12,e22_11,e22_8]).
15729benzene(e22,[e22_18,e22_14,e22_13,e22_15,e22_16,e22_17]).
15730carbon_6_ring(e22,[e22_6,e22_1,e22_2,e22_3,e22_4,e22_5]).
15731ring_size_6(e22,[e22_6,e22_1,e22_2,e22_3,e22_4,e22_5]).
15732ring_size_6(e22,[e22_9,e22_10,e22_4,e22_3,e22_7,e22_8]).
15733ring_size_6(e22,[e22_9,e22_14,e22_13,e22_12,e22_11,e22_8]).
15734ring_size_6(e22,[e22_18,e22_14,e22_13,e22_15,e22_16,e22_17]).
15735nitro(e22,[e22_7,e22_19,e22_20,e22_21]).
15736benzene(e23,[e23_6,e23_1,e23_2,e23_3,e23_4,e23_5]).
15737benzene(e23,[e23_9,e23_10,e23_4,e23_3,e23_7,e23_8]).
15738benzene(e23,[e23_9,e23_14,e23_13,e23_12,e23_11,e23_8]).
15739carbon_6_ring(e23,[e23_18,e23_14,e23_13,e23_15,e23_16,e23_17]).
15740ring_size_6(e23,[e23_6,e23_1,e23_2,e23_3,e23_4,e23_5]).
15741ring_size_6(e23,[e23_9,e23_10,e23_4,e23_3,e23_7,e23_8]).
15742ring_size_6(e23,[e23_9,e23_14,e23_13,e23_12,e23_11,e23_8]).
15743ring_size_6(e23,[e23_18,e23_14,e23_13,e23_15,e23_16,e23_17]).
15744nitro(e23,[e23_7,e23_19,e23_20,e23_21]).
15745anthracene(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]]).
15746benzene(e24,[e24_6,e24_1,e24_17,e24_16,e24_15,e24_14]).
15747benzene(e24,[e24_3,e24_2,e24_22,e24_23,e24_24,e24_25]).
15748benzene(e24,[e24_9,e24_10,e24_5,e24_4,e24_7,e24_8]).
15749carbon_6_ring(e24,[e24_6,e24_1,e24_2,e24_3,e24_4,e24_5]).
15750ring_size_6(e24,[e24_6,e24_1,e24_2,e24_3,e24_4,e24_5]).
15751ring_size_6(e24,[e24_6,e24_1,e24_17,e24_16,e24_15,e24_14]).
15752ring_size_6(e24,[e24_3,e24_2,e24_22,e24_23,e24_24,e24_25]).
15753ring_size_6(e24,[e24_9,e24_10,e24_5,e24_4,e24_7,e24_8]).
15754nitro(e24,[e24_10,e24_30,e24_31,e24_32]).
15755benzene(e25,[e25_9,e25_10,e25_4,e25_3,e25_7,e25_8]).
15756benzene(e25,[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14]).
15757benzene(e25,[e25_9,e25_14,e25_13,e25_12,e25_11,e25_8]).
15758benzene(e25,[e25_20,e25_15,e25_14,e25_13,e25_18,e25_19]).
15759carbon_6_ring(e25,[e25_6,e25_1,e25_2,e25_3,e25_4,e25_5]).
15760ring_size_6(e25,[e25_6,e25_1,e25_2,e25_3,e25_4,e25_5]).
15761ring_size_6(e25,[e25_9,e25_10,e25_4,e25_3,e25_7,e25_8]).
15762ring_size_6(e25,[e25_9,e25_10,e25_17,e25_16,e25_15,e25_14]).
15763ring_size_6(e25,[e25_9,e25_14,e25_13,e25_12,e25_11,e25_8]).
15764ring_size_6(e25,[e25_20,e25_15,e25_14,e25_13,e25_18,e25_19]).
15765nitro(e25,[e25_7,e25_21,e25_22,e25_23]).
15766phenanthrene(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]]).
15767ball3(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]]).
15768ball3(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]]).
15769benzene(e26,[e26_6,e26_1,e26_2,e26_3,e26_4,e26_5]).
15770benzene(e26,[e26_9,e26_10,e26_4,e26_3,e26_7,e26_8]).
15771benzene(e26,[e26_9,e26_14,e26_13,e26_12,e26_11,e26_8]).
15772benzene(e26,[e26_18,e26_14,e26_13,e26_15,e26_16,e26_17]).
15773ring_size_6(e26,[e26_6,e26_1,e26_2,e26_3,e26_4,e26_5]).
15774ring_size_6(e26,[e26_9,e26_10,e26_4,e26_3,e26_7,e26_8]).
15775ring_size_6(e26,[e26_9,e26_14,e26_13,e26_12,e26_11,e26_8]).
15776ring_size_6(e26,[e26_18,e26_14,e26_13,e26_15,e26_16,e26_17]).
15777nitro(e26,[e26_7,e26_31,e26_32,e26_33]).
15778anthracene(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]]).
15779
15780
15781methyl(d10,[d10_9,d10_17,d10_24,d10_25,d10_26]).
15782methyl(d166,[d166_29,d166_31,d166_32,d166_33,d166_34]).
15783methyl(d178,[d178_11,d178_15,d178_16,d178_17,d178_18]).
15784methyl(d8,[d8_26,d8_27,d8_28,d8_29,d8_30]).
15785methyl(d97,[d97_12,d97_22,d97_23,d97_24,d97_25]).
15786methyl(d158,[d158_26,d158_27,d158_30,d158_31,d158_32]).
15787methyl(d42,[d42_8,d42_10,d42_18,d42_19,d42_20]).
15788methyl(d89,[d89_7,d89_10,d89_18,d89_19,d89_20]).
15789methyl(d120,[d120_7,d120_10,d120_18,d120_19,d120_20]).
15790methyl(d130,[d130_11,d130_12,d130_13,d130_14,d130_15]).
15791methyl(d138,[d138_8,d138_10,d138_18,d138_19,d138_20]).
15792methyl(d147,[d147_8,d147_10,d147_17,d147_18,d147_19]).
15793methyl(d7,[d7_16,d7_21,d7_22,d7_23,d7_24]).
15794methyl(d14,[d14_9,d14_10,d14_18,d14_19,d14_20]).
15795methyl(d36,[d36_12,d36_17,d36_18,d36_19,d36_20]).
15796methyl(d39,[d39_19,d39_20,d39_21,d39_22,d39_23]).
15797methyl(d55,[d55_14,d55_17,d55_18,d55_19,d55_20]).
15798methyl(d78,[d78_5,d78_21,d78_22,d78_23,d78_24]).
15799methyl(d88,[d88_11,d88_12,d88_13,d88_14,d88_15]).
15800methyl(d123,[d123_15,d123_19,d123_20,d123_21,d123_22]).
15801methyl(d123,[d123_5,d123_24,d123_25,d123_26,d123_27]).
15802methyl(d150,[d150_4,d150_12,d150_19,d150_20,d150_21]).
15803methyl(d155,[d155_10,d155_11,d155_12,d155_13,d155_14]).
15804methyl(d168,[d168_11,d168_12,d168_13,d168_14,d168_15]).
15805methyl(d182,[d182_11,d182_16,d182_17,d182_18,d182_19]).
15806methyl(d197,[d197_7,d197_10,d197_18,d197_19,d197_20]).
15807methyl(e3,[e3_10,e3_13,e3_14,e3_15,e3_16]).
15808methyl(e4,[e4_7,e4_10,e4_19,e4_20,e4_21]).
15809methyl(e6,[e6_7,e6_10,e6_19,e6_20,e6_21]).
?-
induce_hplp([1,2,3,4,5,6,7,8,9],P)
,test_hplp(P,[10],LL,AUCROC,ROC,AUCPR,PR)
. % learn the structure and test the result ?-induce_hplp_par([1,2,3,4,5,6,7,8,9],P)
,test_hplp(P,[10],LL,AUCROC,ROC,AUCPR,PR)
. % learn the parameteters and test the result ?-induce_hplp([1,2,3,4,5,6,7,8,9],P)
. % learn the structure ?-in(P)
,test_hplp(P,[10],LL,AUCROC,ROC,AUCPR,PR)
. */