23:-use_module(library(liftcover)). 24
25:- if(current_predicate(use_rendering/1)). 26:- use_rendering(c3). 27:- use_rendering(lpad). 28:- endif. 29
30:-lift. 31
32bg([]).
33
34in([
35(active:0.5 :-
36 atm(B,n,32,C)),
37
38(active:0.5 :-
39 has_property(cytogen_ca,p)),
40
41(active:0.5 :-
42 ames),
43
44(active:0.5 :-
45 atm(B,c,22,C),
46 symbond(B,D,7)),
47
48(active:0.5 :-
49 has_property(cytogen_sce,p)),
50
51(active:0.5:-
52 atm(B,c,10,C),
53 symbond(B,D,1))
54]).
55
56:-set_lift(megaex_bottom,16). 57:-set_lift(max_iter,60). 58:-set_lift(beamsize,100). 59:-set_lift(d,2). 60:-set_lift(max_var,3). 62:- set_lift(seed,rand(22,33,1000)). 64fold(train,[
65 66 d1,d10,d101,d102,d103,d106,d107,d108,d11,d12,d13,d134,d135,d136,d138,d140,
67 d141,d144,d145,d146,d147,d15,d17,d19,d192,d193,d195,d196,d197,d198,d199,
68 d2,d20,d200,d201,d202,d203,d204,d205,d21,d22,d226,d227,d228,d229,d231,
69 d232,d234,d236,d239,d23_2,d242,d245,d247,d249,d25,d252,d253,d254,d255,
70 d26,d272,d275,d277,d279,d28,d281,d283,d284,d288,d29,d290,d291,d292,d30,
71 d31,d32,d33,d34,d35,d36,d37,d38,d42,d43,d44,d45,d46,d47,d48,d49,d5,d51,
72 d52,d53,d55,d58,d6,d7,d84,d85_2,d86,d87,d88,d89,d9,d91,d92,d93,d95,d96,
73 d98,d99,d100,d104,d105,d109,d137,d139,d14,d142,d143,d148,d16,d18,d191,
74 d206,d230,d233,d235,d237,d238,d23_1,d24,d240,d241,d243,d244,d246,d248,
75 d250,d251,d27,d273,d274,d278,d286,d289,d3,d39,d4,d40,d41,d50,d54,d56,
76 d57,d8,d85_1,d90,d94,d97,
77 78 d110,d111,d114,d116,d117,d119,d121,d123,d124,d125,d127,d128,d130,d133,
79 d150,d151,d154,d155,d156,d159,d160,d161,d162,d163,d164,d165,d166,d169,
80 d170,d171,d172,d173,d174,d178,d179,d180,d181,d183,d184,d185,d186,d188,
81 d190,d194,d207,d208_1,d209,d210,d211,d212,d213,d214,d215,d217,d218,d219,
82 d220,d224,d256,d257,d258,d261,d262,d263,d264,d265,d266,d267,d269,d271,
83 d276,d280,d285,d287,d293,d294,d59,d60,d61,d63,d64,d65,d69,d70,d71,d72,
84 d73,d74,d75,d76,d77,d78,d79,d80,d81,d82,d112,d113,d115,d118,d120,d122,
85 d126,d129,d131,d132,d149,d152,d153,d157,d158,d167,d168,d175,d176,d177,
86 d182,d187,d189,d208_2,d216,d221,d222,d223,d225,d259,d260,d268,d270,
87 d282,d295,d62,d66,d67,d68,d83]).
88
89fold(test,[
90 91 d296,d305,d306,d307,d308,d311,d314,d315,d316,d320,d322,d323,d325,d329,d330,
92 d331,d332,d333,d336,d337,
93 94 d297,d298,d299,d300,d302,d303,d304,d309,d312,d313,d317,d318,d319,d324,d326,
95 d327,d328,d334,d335]).
96
97fold(all,F):-
98 fold(train,FTr),
99 fold(test,FTe),
100 append(FTr,FTe,F).
101
102output(active/0).
103
104input(ames/0).
105input(has_property/2).
106input(ashby_alert/2).
107input(mutagenic/0).
108input(ind/2).
109input(atm/4).
110input(symbond/3).
111input(bond/3).
112input(nitro/1).
113input(sulfo/1).
114input(methyl/1).
115input(methoxy/1).
116input(amine/1).
117input(ketone/1).
118input(ether/1).
119input(sulfide/1).
120input(alcohol/1).
121input(phenol/1).
122input(ester/1).
123input(imine/1).
124input(alkyl_halide/1).
125input(ar_halide/1).
126input(non_ar_6c_ring/1).
127input(non_ar_hetero_6_ring/1).
128input(six_ring/1).
129input(non_ar_5c_ring/1).
130input(non_ar_hetero_5_ring/1).
131input(five_ring/1).
132input(connected/2).
133
134
135modeh(1,active).
136
137modeb(*,ames).
138modeb(*,mutagenic).
139modeb(*,has_property(-#property,-#propval)).
140modeb(*,ashby_alert(-#alert,-ring)).
141modeb(*,ind(-#alert,-nalerts)).
142
143modeb(*,atm(-atomid,-#element,-#integer,-charge)).
144modeb(*,symbond(+atomid,-atomid,-#integer)).
145
146modeb(1,(+charge) >= (#charge)).
147modeb(1,(+charge) =< (#charge)).
148modeb(1,(+charge) = (#charge)).
149modeb(1,(+nalerts) >= (#nalerts)).
150modeb(1,(+nalerts) =< (#nalerts)).
151modeb(1,(+nalerts) = (#nalerts)).
152
153modeb(*,nitro(-ring)).
154modeb(*,sulfo(-ring)).
155modeb(*,methyl(-ring)).
156modeb(*,methoxy(-ring)).
157modeb(*,amine(-ring)).
158modeb(*,ketone(-ring)).
159modeb(*,ether(-ring)).
160modeb(*,sulfide(-ring)).
161modeb(*,alcohol(-ring)).
162modeb(*,phenol(-ring)).
163modeb(*,ester(-ring)).
164modeb(*,imine(-ring)).
165modeb(*,alkyl_halide(-ring)).
166modeb(*,ar_halide(-ring)).
167modeb(*,non_ar_6c_ring(-ring)).
168modeb(*,non_ar_hetero_6_ring(-ring)).
169modeb(*,six_ring(-ring)).
170modeb(*,non_ar_5c_ring(-ring)).
171modeb(*,non_ar_hetero_5_ring(-ring)).
172modeb(*,five_ring(-ring)).
173modeb(1,connected(+ring,+ring)).
174
175determination(active/0,ames/0).
176determination(active/0,has_property/2).
177determination(active/0,ashby_alert/2).
178determination(active/0,mutagenic/0).
179determination(active/0,ind/2).
180determination(active/0,atm/4).
181determination(active/0,symbond/3).
182determination(active/0,nitro/1).
183determination(active/0,nitro/1).
184determination(active/0,sulfo/1).
185determination(active/0,methyl/1).
186determination(active/0,methoxy/1).
187determination(active/0,amine/1).
188determination(active/0,ketone/1).
189determination(active/0,ether/1).
190determination(active/0,sulfide/1).
191determination(active/0,alcohol/1).
192determination(active/0,phenol/1).
193determination(active/0,ester/1).
194determination(active/0,imine/1).
195determination(active/0,alkyl_halide/1).
196determination(active/0,ar_halide/1).
197determination(active/0,non_ar_6c_ring/1).
198determination(active/0,non_ar_hetero_6_ring/1).
199determination(active/0,six_ring/1).
200determination(active/0,non_ar_5c_ring/1).
201determination(active/0,non_ar_hetero_5_ring/1).
202determination(active/0,five_ring/1).
203determination(active/0,connected/2).
204determination(active/0,'=<'/2).
205determination(active/0,'>='/2).
206determination(active/0,'='/2).
207
208connected(_M,Ring1,Ring2):-
209 Ring1 \= Ring2,
210 member(A,Ring1),
211 member(A,Ring2), !.
212
213symbond(Mod,A,B,T):- bond(Mod,A,B,T).
214symbond(Mod,A,B,T):- bond(Mod,B,A,T).
215
216
218active(d1).
219active(d10).
220active(d101).
221active(d102).
222active(d103).
223active(d106).
224active(d107).
225active(d108).
226active(d11).
227active(d12).
228active(d13).
229active(d134).
230active(d135).
231active(d136).
232active(d138).
233active(d140).
234active(d141).
235active(d144).
236active(d145).
237active(d146).
238active(d147).
239active(d15).
240active(d17).
241active(d19).
242active(d192).
243active(d193).
244active(d195).
245active(d196).
246active(d197).
247active(d198).
248active(d199).
249active(d2).
250active(d20).
251active(d200).
252active(d201).
253active(d202).
254active(d203).
255active(d204).
256active(d205).
257active(d21).
258active(d22).
259active(d226).
260active(d227).
261active(d228).
262active(d229).
263active(d231).
264active(d232).
265active(d234).
266active(d236).
267active(d239).
268active(d23_2).
269active(d242).
270active(d245).
271active(d247).
272active(d249).
273active(d25).
274active(d252).
275active(d253).
276active(d254).
277active(d255).
278active(d26).
279active(d272).
280active(d275).
281active(d277).
282active(d279).
283active(d28).
284active(d281).
285active(d283).
286active(d284).
287active(d288).
288active(d29).
289active(d290).
290active(d291).
291active(d292).
292active(d30).
293active(d31).
294active(d32).
295active(d33).
296active(d34).
297active(d35).
298active(d36).
299active(d37).
300active(d38).
301active(d42).
302active(d43).
303active(d44).
304active(d45).
305active(d46).
306active(d47).
307active(d48).
308active(d49).
309active(d5).
310active(d51).
311active(d52).
312active(d53).
313active(d55).
314active(d58).
315active(d6).
316active(d7).
317active(d84).
318active(d85_2).
319active(d86).
320active(d87).
321active(d88).
322active(d89).
323active(d9).
324active(d91).
325active(d92).
326active(d93).
327active(d95).
328active(d96).
329active(d98).
330active(d99).
331active(d100).
332active(d104).
333active(d105).
334active(d109).
335active(d137).
336active(d139).
337active(d14).
338active(d142).
339active(d143).
340active(d148).
341active(d16).
342active(d18).
343active(d191).
344active(d206).
345active(d230).
346active(d233).
347active(d235).
348active(d237).
349active(d238).
350active(d23_1).
351active(d24).
352active(d240).
353active(d241).
354active(d243).
355active(d244).
356active(d246).
357active(d248).
358active(d250).
359active(d251).
360active(d27).
361active(d273).
362active(d274).
363active(d278).
364active(d286).
365active(d289).
366active(d3).
367active(d39).
368active(d4).
369active(d40).
370active(d41).
371active(d50).
372active(d54).
373active(d56).
374active(d57).
375active(d8).
376active(d85_1).
377active(d90).
378active(d94).
379active(d97).
380neg(active(d110)).
381neg(active(d111)).
382neg(active(d114)).
383neg(active(d116)).
384neg(active(d117)).
385neg(active(d119)).
386neg(active(d121)).
387neg(active(d123)).
388neg(active(d124)).
389neg(active(d125)).
390neg(active(d127)).
391neg(active(d128)).
392neg(active(d130)).
393neg(active(d133)).
394neg(active(d150)).
395neg(active(d151)).
396neg(active(d154)).
397neg(active(d155)).
398neg(active(d156)).
399neg(active(d159)).
400neg(active(d160)).
401neg(active(d161)).
402neg(active(d162)).
403neg(active(d163)).
404neg(active(d164)).
405neg(active(d165)).
406neg(active(d166)).
407neg(active(d169)).
408neg(active(d170)).
409neg(active(d171)).
410neg(active(d172)).
411neg(active(d173)).
412neg(active(d174)).
413neg(active(d178)).
414neg(active(d179)).
415neg(active(d180)).
416neg(active(d181)).
417neg(active(d183)).
418neg(active(d184)).
419neg(active(d185)).
420neg(active(d186)).
421neg(active(d188)).
422neg(active(d190)).
423neg(active(d194)).
424neg(active(d207)).
425neg(active(d208_1)).
426neg(active(d209)).
427neg(active(d210)).
428neg(active(d211)).
429neg(active(d212)).
430neg(active(d213)).
431neg(active(d214)).
432neg(active(d215)).
433neg(active(d217)).
434neg(active(d218)).
435neg(active(d219)).
436neg(active(d220)).
437neg(active(d224)).
438neg(active(d256)).
439neg(active(d257)).
440neg(active(d258)).
441neg(active(d261)).
442neg(active(d262)).
443neg(active(d263)).
444neg(active(d264)).
445neg(active(d265)).
446neg(active(d266)).
447neg(active(d267)).
448neg(active(d269)).
449neg(active(d271)).
450neg(active(d276)).
451neg(active(d280)).
452neg(active(d285)).
453neg(active(d287)).
454neg(active(d293)).
455neg(active(d294)).
456neg(active(d59)).
457neg(active(d60)).
458neg(active(d61)).
459neg(active(d63)).
460neg(active(d64)).
461neg(active(d65)).
462neg(active(d69)).
463neg(active(d70)).
464neg(active(d71)).
465neg(active(d72)).
466neg(active(d73)).
467neg(active(d74)).
468neg(active(d75)).
469neg(active(d76)).
470neg(active(d77)).
471neg(active(d78)).
472neg(active(d79)).
473neg(active(d80)).
474neg(active(d81)).
475neg(active(d82)).
476neg(active(d112)).
477neg(active(d113)).
478neg(active(d115)).
479neg(active(d118)).
480neg(active(d120)).
481neg(active(d122)).
482neg(active(d126)).
483neg(active(d129)).
484neg(active(d131)).
485neg(active(d132)).
486neg(active(d149)).
487neg(active(d152)).
488neg(active(d153)).
489neg(active(d157)).
490neg(active(d158)).
491neg(active(d167)).
492neg(active(d168)).
493neg(active(d175)).
494neg(active(d176)).
495neg(active(d177)).
496neg(active(d182)).
497neg(active(d187)).
498neg(active(d189)).
499neg(active(d208_2)).
500neg(active(d216)).
501neg(active(d221)).
502neg(active(d222)).
503neg(active(d223)).
504neg(active(d225)).
505neg(active(d259)).
506neg(active(d260)).
507neg(active(d268)).
508neg(active(d270)).
509neg(active(d282)).
510neg(active(d295)).
511neg(active(d62)).
512neg(active(d66)).
513neg(active(d67)).
514neg(active(d68)).
515neg(active(d83)).
517active(d296).
518active(d305).
519active(d306).
520active(d307).
521active(d308).
522active(d311).
523active(d314).
524active(d315).
525active(d316).
526active(d320).
527active(d322).
528active(d323).
529active(d325).
530active(d329).
531active(d330).
532active(d331).
533active(d332).
534active(d333).
535active(d336).
536active(d337).
537neg(active(d297)).
538neg(active(d298)).
539neg(active(d299)).
540neg(active(d300)).
541neg(active(d302)).
542neg(active(d303)).
543neg(active(d304)).
544neg(active(d309)).
545neg(active(d312)).
546neg(active(d313)).
547neg(active(d317)).
548neg(active(d318)).
549neg(active(d319)).
550neg(active(d324)).
551neg(active(d326)).
552neg(active(d327)).
553neg(active(d328)).
554neg(active(d334)).
555neg(active(d335)).
556mutagenic(d2).
557mutagenic(d13).
558mutagenic(d18).
559mutagenic(d19).
560mutagenic(d27).
561mutagenic(d28).
562mutagenic(d35).
563mutagenic(d36).
564mutagenic(d37).
565mutagenic(d38).
566mutagenic(d41).
567mutagenic(d42).
568mutagenic(d48).
569mutagenic(d50).
570mutagenic(d51).
571mutagenic(d54).
572mutagenic(d58).
573mutagenic(d61).
574mutagenic(d62).
575mutagenic(d63).
576mutagenic(d66).
577mutagenic(d69).
578mutagenic(d72).
579mutagenic(d76).
580mutagenic(d77).
581mutagenic(d78).
582mutagenic(d84).
583mutagenic(d86).
584mutagenic(d89).
585mutagenic(d92).
586mutagenic(d96).
587mutagenic(d101).
588mutagenic(d104).
589mutagenic(d106).
590mutagenic(d107).
591mutagenic(d112).
592mutagenic(d113).
593mutagenic(d117).
594mutagenic(d121).
595mutagenic(d123).
596mutagenic(d126).
597mutagenic(d128).
598mutagenic(d135).
599mutagenic(d137).
600mutagenic(d139).
601mutagenic(d140).
602mutagenic(d143).
603mutagenic(d144).
604mutagenic(d145).
605mutagenic(d146).
606mutagenic(d147).
607mutagenic(d152).
608mutagenic(d153).
609mutagenic(d154).
610mutagenic(d155).
611mutagenic(d156).
612mutagenic(d159).
613mutagenic(d160).
614mutagenic(d161).
615mutagenic(d163).
616mutagenic(d164).
617mutagenic(d166).
618mutagenic(d168).
619mutagenic(d171).
620mutagenic(d173).
621mutagenic(d174).
622mutagenic(d177).
623mutagenic(d179).
624mutagenic(d180).
625mutagenic(d182).
626mutagenic(d183).
627mutagenic(d185).
628mutagenic(d186).
629mutagenic(d187).
630mutagenic(d188).
631mutagenic(d189).
632mutagenic(d191).
633mutagenic(d192).
634mutagenic(d193).
635mutagenic(d195).
636mutagenic(d197).
637mutagenic(d201).
638mutagenic(d202).
639mutagenic(d205).
640mutagenic(d206).
641mutagenic(d207).
642mutagenic(d211).
643mutagenic(d214).
644mutagenic(d215).
645mutagenic(d216).
646mutagenic(d224).
647mutagenic(d225).
648mutagenic(d227).
649mutagenic(d228).
650mutagenic(d229).
651mutagenic(d231).
652mutagenic(d235).
653mutagenic(d237).
654mutagenic(d239).
655mutagenic(d242).
656mutagenic(d245).
657mutagenic(d246).
658mutagenic(d249).
659mutagenic(d251).
660mutagenic(d254).
661mutagenic(d257).
662mutagenic(d258).
663mutagenic(d261).
664mutagenic(d264).
665mutagenic(d266).
666mutagenic(d269).
667mutagenic(d270).
668mutagenic(d271).
669mutagenic(d288).
670mutagenic(d292).
671mutagenic(d297).
672mutagenic(d300).
673mutagenic(d308).
674mutagenic(d309).
675mutagenic(d311).
676mutagenic(d313).
677mutagenic(d314).
678mutagenic(d322).
679mutagenic(d323).
680mutagenic(d324).
681mutagenic(d329).
682mutagenic(d330).
683mutagenic(d332).
684mutagenic(d334).
685ames(d1).
686ames(d2).
687ames(d3).
688ames(d4).
689ames(d5).
690ames(d6).
691ames(d7).
692ames(d8).
693ames(d9).
694ames(d10).
695ames(d11).
696ames(d12).
697ames(d13).
698ames(d14).
699ames(d15).
700ames(d16).
701ames(d17).
702ames(d18).
703ames(d19).
704ames(d20).
705ames(d21).
706ames(d22).
707ames(d23_1).
708ames(d23_2).
709ames(d24).
710ames(d25).
711ames(d26).
712ames(d27).
713ames(d28).
714ames(d29).
715ames(d30).
716ames(d31).
717ames(d32).
718ames(d34).
719ames(d36).
720ames(d37).
721ames(d38).
722ames(d39).
723ames(d41).
724ames(d43).
725ames(d44).
726ames(d45).
727ames(d46).
728ames(d47).
729ames(d48).
730ames(d49).
731ames(d50).
732ames(d51).
733ames(d52).
734ames(d53).
735ames(d54).
736ames(d55).
737ames(d56).
738ames(d57).
739ames(d58).
740ames(d59).
741ames(d60).
742ames(d61).
743ames(d62).
744ames(d63).
745ames(d67).
746ames(d68).
747ames(d70).
748ames(d71).
749ames(d72).
750ames(d73).
751ames(d75).
752ames(d78).
753ames(d79).
754ames(d80).
755ames(d81).
756ames(d83).
757ames(d113).
758ames(d128).
759ames(d171).
760ames(d194).
761ames(d205).
762ames(d216).
763ames(d226).
764ames(d227).
765ames(d228).
766ames(d229).
767ames(d230).
768ames(d232).
769ames(d234).
770ames(d235).
771ames(d236).
772ames(d237).
773ames(d238).
774ames(d239).
775ames(d240).
776ames(d241).
777ames(d242).
778ames(d243).
779ames(d244).
780ames(d245).
781ames(d248).
782ames(d249).
783ames(d250).
784ames(d252).
785ames(d254).
786ames(d255).
787ames(d256).
788ames(d257).
789ames(d258).
790ames(d261).
791ames(d262).
792ames(d263).
793ames(d265).
794ames(d268).
795ames(d270).
796ames(d272).
797ames(d273).
798ames(d274).
799ames(d276).
800ames(d278).
801ames(d280).
802ames(d281).
803ames(d282).
804ames(d286).
805ames(d287).
806ames(d288).
807ames(d289).
808ames(d290).
809ames(d293).
810ames(d294).
811ames(d316).
812ames(d319).
813ames(d320).
814ames(d321).
815ames(d323).
816ames(d324).
817ames(d325).
818ames(d328).
819ames(d329).
820ames(d331).
821ames(d332).
822ames(d333).
823ames(d334).
824ames(d335).
825ames(d336).
826ames(d337).
827atm(d1,d1_1,c,22,-0.133).
828atm(d1,d1_2,c,22,-0.133).
829atm(d1,d1_3,c,22,-0.003).
830atm(d1,d1_4,c,22,-0.003).
831atm(d1,d1_5,c,22,-0.133).
832atm(d1,d1_6,c,22,-0.133).
833atm(d1,d1_7,h,3,0.127).
834atm(d1,d1_8,h,3,0.127).
835atm(d1,d1_9,h,3,0.127).
836atm(d1,d1_10,h,3,0.127).
837atm(d1,d1_11,c,14,0.547).
838atm(d1,d1_12,c,22,-0.003).
839atm(d1,d1_13,c,22,-0.003).
840atm(d1,d1_14,c,14,0.547).
841atm(d1,d1_15,c,22,-0.133).
842atm(d1,d1_16,c,22,-0.133).
843atm(d1,d1_17,c,22,0.197).
844atm(d1,d1_18,c,22,-0.133).
845atm(d1,d1_19,h,3,0.127).
846atm(d1,d1_20,h,3,0.127).
847atm(d1,d1_21,h,3,0.127).
848atm(d1,d1_22,o,40,-0.553).
849atm(d1,d1_23,o,40,-0.554).
850atm(d1,d1_24,n,32,-0.784).
851atm(d1,d1_25,h,1,0.327).
852atm(d1,d1_26,h,1,0.327).
853atm(d10,d10_1,c,22,-0.042).
854atm(d10,d10_2,c,22,-0.042).
855atm(d10,d10_3,c,22,-0.042).
856atm(d10,d10_4,c,22,-0.042).
857atm(d10,d10_5,c,22,0.287).
858atm(d10,d10_6,c,22,-0.042).
859atm(d10,d10_7,h,3,0.218).
860atm(d10,d10_8,h,3,0.217).
861atm(d10,d10_9,h,3,0.218).
862atm(d10,d10_10,h,3,0.218).
863atm(d10,d10_11,h,3,0.218).
864atm(d10,d10_12,n,32,-0.313).
865atm(d10,d10_13,n,32,-0.313).
866atm(d10,d10_14,o,45,-0.563).
867atm(d10,d10_15,h,1,0.487).
868atm(d10,d10_16,o,40,-0.464).
869atm(d100,d100_1,c,22,-0.105).
870atm(d100,d100_2,c,22,-0.105).
871atm(d100,d100_3,c,22,-0.105).
872atm(d100,d100_4,c,22,0.125).
873atm(d100,d100_5,c,22,-0.105).
874atm(d100,d100_6,c,22,-0.105).
875atm(d100,d100_7,h,3,0.156).
876atm(d100,d100_8,h,3,0.155).
877atm(d100,d100_9,h,3,0.155).
878atm(d100,d100_10,h,3,0.156).
879atm(d100,d100_11,c,22,-0.105).
880atm(d100,d100_12,c,22,-0.105).
881atm(d100,d100_13,c,22,-0.105).
882atm(d100,d100_14,c,22,-0.105).
883atm(d100,d100_15,c,22,-0.105).
884atm(d100,d100_16,c,22,0.125).
885atm(d100,d100_17,h,3,0.156).
886atm(d100,d100_18,h,3,0.156).
887atm(d100,d100_19,h,3,0.155).
888atm(d100,d100_20,h,3,0.155).
889atm(d100,d100_21,c,16,-0.174).
890atm(d100,d100_22,c,16,0.426).
891atm(d100,d100_23,cl,93,-0.174).
892atm(d100,d100_24,cl,93,-0.174).
893atm(d100,d100_25,cl,93,-0.174).
894atm(d100,d100_26,cl,93,-0.174).
895atm(d101,d101_1,c,10,0.177).
896atm(d101,d101_2,c,10,-0.024).
897atm(d101,d101_3,c,16,-0.124).
898atm(d101,d101_4,c,16,-0.124).
899atm(d101,d101_5,c,10,-0.024).
900atm(d101,d101_6,c,10,-0.074).
901atm(d101,d101_7,c,10,0.177).
902atm(d101,d101_8,c,16,-0.124).
903atm(d101,d101_9,c,16,-0.124).
904atm(d101,d101_10,h,3,0.127).
905atm(d101,d101_11,h,3,0.046).
906atm(d101,d101_12,h,3,0.177).
907atm(d101,d101_13,h,3,0.177).
908atm(d101,d101_14,c,10,0.477).
909atm(d101,d101_15,cl,93,-0.124).
910atm(d101,d101_16,cl,93,-0.124).
911atm(d101,d101_17,cl,93,-0.124).
912atm(d101,d101_18,h,3,0.127).
913atm(d101,d101_19,cl,93,-0.124).
914atm(d101,d101_20,cl,93,-0.124).
915atm(d101,d101_21,cl,93,-0.124).
916atm(d101,d101_22,cl,93,-0.123).
917atm(d102,d102_1,c,10,0.507).
918atm(d102,d102_2,c,10,0.407).
919atm(d102,d102_3,cl,93,-0.194).
920atm(d102,d102_4,cl,93,-0.194).
921atm(d102,d102_5,cl,93,-0.194).
922atm(d102,d102_6,cl,93,-0.194).
923atm(d102,d102_7,cl,93,-0.194).
924atm(d102,d102_8,h,3,0.056).
925atm(d103,d103_1,c,10,0.513).
926atm(d103,d103_2,c,10,0.112).
927atm(d103,d103_3,cl,93,-0.187).
928atm(d103,d103_4,h,3,0.062).
929atm(d103,d103_5,h,3,0.062).
930atm(d103,d103_6,cl,93,-0.187).
931atm(d103,d103_7,cl,93,-0.188).
932atm(d103,d103_8,cl,93,-0.187).
933atm(d104,d104_1,c,10,0.388).
934atm(d104,d104_2,c,10,0.388).
935atm(d104,d104_3,cl,93,-0.212).
936atm(d104,d104_4,cl,93,-0.212).
937atm(d104,d104_5,h,3,0.037).
938atm(d104,d104_6,cl,93,-0.213).
939atm(d104,d104_7,cl,93,-0.213).
940atm(d104,d104_8,h,3,0.037).
941atm(d105,d105_1,c,16,0.45).
942atm(d105,d105_2,c,16,-0.15).
943atm(d105,d105_3,cl,93,-0.15).
944atm(d105,d105_4,cl,93,-0.15).
945atm(d105,d105_5,cl,93,-0.15).
946atm(d105,d105_6,h,3,0.15).
947atm(d106,d106_1,c,10,-0.086).
948atm(d106,d106_2,c,10,-0.036).
949atm(d106,d106_3,c,16,-0.136).
950atm(d106,d106_4,c,16,-0.136).
951atm(d106,d106_5,c,10,-0.036).
952atm(d106,d106_6,c,10,-0.086).
953atm(d106,d106_7,c,10,0.163).
954atm(d106,d106_8,c,16,-0.136).
955atm(d106,d106_9,c,16,-0.136).
956atm(d106,d106_10,c,10,0.164).
957atm(d106,d106_11,h,3,0.034).
958atm(d106,d106_12,h,3,0.034).
959atm(d106,d106_13,h,3,0.163).
960atm(d106,d106_14,h,3,0.163).
961atm(d106,d106_15,c,10,0.463).
962atm(d106,d106_16,c,10,-0.036).
963atm(d106,d106_17,h,3,0.114).
964atm(d106,d106_18,h,3,0.114).
965atm(d106,d106_19,cl,93,-0.136).
966atm(d106,d106_20,cl,93,-0.136).
967atm(d106,d106_21,cl,93,-0.136).
968atm(d106,d106_22,cl,93,-0.136).
969atm(d106,d106_23,cl,93,-0.136).
970atm(d106,d106_24,cl,93,-0.136).
971atm(d106,d106_25,h,3,0.114).
972atm(d106,d106_26,h,3,0.114).
973atm(d107,d107c_1,c,10,0.1).
974atm(d107,d107c_2,c,10,-0.1).
975atm(d107,d107c_3,c,10,-0.1).
976atm(d107,d107c_4,h,3,0.05).
977atm(d107,d107c_5,h,3,0.05).
978atm(d107,d107c_6,c,10,0.4).
979atm(d107,d107c_7,h,3,0.05).
980atm(d107,d107c_8,h,3,0.05).
981atm(d107,d107c_9,c,10,-0.1).
982atm(d107,d107c_10,c,10,-0.1).
983atm(d107,d107c_11,h,3,0.05).
984atm(d107,d107c_12,h,3,0.05).
985atm(d107,d107c_13,c,10,-0.1).
986atm(d107,d107c_14,h,3,0.05).
987atm(d107,d107c_15,h,3,0.05).
988atm(d107,d107c_16,c,10,0.15).
989atm(d107,d107c_17,h,3,0.05).
990atm(d107,d107c_18,h,3,0.05).
991atm(d107,d107c_19,c,10,0.15).
992atm(d107,d107c_20,c,10,-0.1).
993atm(d107,d107c_21,c,10,0.15).
994atm(d107,d107c_22,h,3,0.05).
995atm(d107,d107c_23,h,3,0.05).
996atm(d107,d107c_24,c,10,-0.1).
997atm(d107,d107c_25,c,10,-0.1).
998atm(d107,d107c_26,h,3,0.05).
999atm(d107,d107c_27,h,3,0.05).
1000atm(d107,d107c_28,c,10,0.15).
1001atm(d107,d107c_29,h,3,0.05).
1002atm(d107,d107c_30,h,3,0.05).
1003atm(d107,d107c_31,c,10,-0.1).
1004atm(d107,d107c_32,c,10,0.15).
1005atm(d107,d107c_33,h,3,0.05).
1006atm(d107,d107c_34,h,3,0.05).
1007atm(d107,d107c_35,c,10,-0.1).
1008atm(d107,d107c_36,c,10,-0.1).
1009atm(d107,d107c_37,h,3,0.05).
1010atm(d107,d107c_38,h,3,0.05).
1011atm(d107,d107c_39,c,10,0.15).
1012atm(d107,d107c_40,h,3,0.05).
1013atm(d107,d107c_41,h,3,0.05).
1014atm(d107,d107c_42,c,10,0.15).
1015atm(d107,d107c_43,c,10,-0.1).
1016atm(d107,d107c_44,c,10,-0.1).
1017atm(d107,d107c_45,h,3,0.05).
1018atm(d107,d107c_46,h,3,0.05).
1019atm(d107,d107c_47,c,10,-0.15).
1020atm(d107,d107c_48,h,3,0.05).
1021atm(d107,d107c_49,h,3,0.05).
1022atm(d107,d107c_50,h,3,0.05).
1023atm(d107,d107c_51,h,3,0.05).
1024atm(d107,d107c_52,h,3,0.05).
1025atm(d107,d107c_53,cl,93,-0.2).
1026atm(d107,d107c_54,h,3,0.05).
1027atm(d107,d107c_55,h,3,0.05).
1028atm(d107,d107c_56,cl,93,-0.2).
1029atm(d107,d107c_57,cl,93,-0.2).
1030atm(d107,d107c_58,cl,93,-0.2).
1031atm(d107,d107c_59,h,3,0.05).
1032atm(d107,d107c_60,cl,93,-0.2).
1033atm(d107,d107c_61,h,3,0.05).
1034atm(d107,d107c_62,cl,93,-0.2).
1035atm(d107,d107c_63,h,3,0.05).
1036atm(d107,d107c_64,cl,93,-0.2).
1037atm(d107,d107c_65,h,3,0.05).
1038atm(d107,d107c_66,cl,93,-0.2).
1039atm(d107,d107c_67,h,3,0.05).
1040atm(d107,d107c_68,cl,93,-0.2).
1041atm(d107,d107c_69,h,3,0.05).
1042atm(d107,d107c_70,cl,93,-0.2).
1043atm(d107,d107c_71,h,3,0.05).
1044atm(d107,d107d_1,c,10,-0.277).
1045atm(d107,d107d_2,c,10,-0.276).
1046atm(d107,d107d_3,c,10,-0.276).
1047atm(d107,d107d_4,c,10,-0.277).
1048atm(d107,d107d_5,c,10,-0.276).
1049atm(d107,d107d_6,c,10,-0.076).
1050atm(d107,d107d_7,c,10,-0.276).
1051atm(d107,d107d_8,c,10,-0.126).
1052atm(d107,d107d_9,c,10,-0.066).
1053atm(d107,d107d_10,h,3,0.074).
1054atm(d107,d107d_11,h,3,0.074).
1055atm(d107,d107d_12,h,3,0.074).
1056atm(d107,d107d_13,c,10,-0.066).
1057atm(d107,d107d_14,h,3,0.074).
1058atm(d107,d107d_15,h,3,0.074).
1059atm(d107,d107d_16,h,3,0.074).
1060atm(d107,d107d_17,c,10,0.523).
1061atm(d107,d107d_18,c,10,-0.066).
1062atm(d107,d107d_19,h,3,0.074).
1063atm(d107,d107d_20,h,3,0.074).
1064atm(d107,d107d_21,h,3,0.074).
1065atm(d107,d107d_22,c,10,-0.066).
1066atm(d107,d107d_23,h,3,0.074).
1067atm(d107,d107d_24,h,3,0.074).
1068atm(d107,d107d_25,h,3,0.074).
1069atm(d107,d107d_26,c,10,-0.066).
1070atm(d107,d107d_27,h,3,0.074).
1071atm(d107,d107d_28,h,3,0.074).
1072atm(d107,d107d_29,h,3,0.074).
1073atm(d107,d107d_30,c,10,-0.066).
1074atm(d107,d107d_31,h,3,0.074).
1075atm(d107,d107d_32,h,3,0.074).
1076atm(d107,d107d_33,h,3,0.074).
1077atm(d107,d107d_34,c,10,0.523).
1078atm(d107,d107d_35,c,10,-0.066).
1079atm(d107,d107d_36,h,3,0.074).
1080atm(d107,d107d_37,h,3,0.074).
1081atm(d107,d107d_38,h,3,0.074).
1082atm(d107,d107d_39,c,10,-0.066).
1083atm(d107,d107d_40,h,3,0.074).
1084atm(d107,d107d_41,h,3,0.074).
1085atm(d107,d107d_42,h,3,0.074).
1086atm(d107,d107d_43,c,10,0.124).
1087atm(d107,d107d_44,c,10,0.124).
1088atm(d107,d107d_45,c,10,0.124).
1089atm(d107,d107d_46,c,10,-0.126).
1090atm(d107,d107d_47,h,3,-0.006).
1091atm(d107,d107d_48,h,3,0.074).
1092atm(d107,d107d_49,h,3,0.074).
1093atm(d107,d107d_50,h,3,0.074).
1094atm(d107,d107d_51,c,10,0.124).
1095atm(d107,d107d_52,h,3,0.074).
1096atm(d107,d107d_53,h,3,0.074).
1097atm(d107,d107d_54,cl,93,-0.176).
1098atm(d107,d107d_55,cl,93,-0.176).
1099atm(d107,d107d_56,cl,93,-0.176).
1100atm(d107,d107d_57,cl,93,-0.176).
1101atm(d107,d107d_58,cl,93,-0.176).
1102atm(d107,d107d_59,cl,93,-0.176).
1103atm(d107,d107d_60,cl,93,-0.176).
1104atm(d107,d107d_61,h,3,0.074).
1105atm(d107,d107d_62,h,3,0.074).
1106atm(d107,d107d_63,cl,93,-0.176).
1107atm(d107,d107d_64,h,3,0.074).
1108atm(d107,d107d_65,h,3,0.074).
1109atm(d107,d107d_66,cl,93,-0.176).
1110atm(d107,d107d_67,h,3,0.074).
1111atm(d107,d107d_68,h,3,0.074).
1112atm(d107,d107d_69,cl,93,-0.176).
1113atm(d107,d107d_70,h,3,0.074).
1114atm(d107,d107d_71,h,3,0.074).
1115atm(d108,d108_1,c,22,-0.086).
1116atm(d108,d108_2,c,22,-0.086).
1117atm(d108,d108_3,c,22,-0.086).
1118atm(d108,d108_4,c,22,-0.086).
1119atm(d108,d108_5,c,22,-0.086).
1120atm(d108,d108_6,c,22,-0.086).
1121atm(d108,d108_7,h,3,0.174).
1122atm(d108,d108_8,h,3,0.174).
1123atm(d108,d108_9,h,3,0.173).
1124atm(d108,d108_10,h,3,0.174).
1125atm(d108,d108_11,c,22,-0.086).
1126atm(d108,d108_12,c,22,-0.086).
1127atm(d108,d108_13,c,22,-0.086).
1128atm(d108,d108_14,c,22,-0.086).
1129atm(d108,d108_15,c,22,-0.086).
1130atm(d108,d108_16,c,22,-0.086).
1131atm(d108,d108_17,h,3,0.173).
1132atm(d108,d108_18,h,3,0.173).
1133atm(d108,d108_19,h,3,0.174).
1134atm(d108,d108_20,h,3,0.174).
1135atm(d108,d108_21,c,10,0.044).
1136atm(d108,d108_22,o,45,-0.607).
1137atm(d108,d108_23,c,10,0.543).
1138atm(d108,d108_24,cl,93,-0.156).
1139atm(d108,d108_25,cl,93,-0.156).
1140atm(d108,d108_26,cl,93,-0.156).
1141atm(d108,d108_27,cl,93,-0.156).
1142atm(d108,d108_28,cl,93,-0.156).
1143atm(d108,d108_29,h,8,0.443).
1144atm(d109,d109_1,c,21,0.022).
1145atm(d109,d109_2,c,21,-0.108).
1146atm(d109,d109_3,c,21,-0.108).
1147atm(d109,d109_4,c,21,-0.108).
1148atm(d109,d109_5,o,52,-0.008).
1149atm(d109,d109_6,c,22,-0.108).
1150atm(d109,d109_7,c,22,-0.108).
1151atm(d109,d109_8,c,22,-0.108).
1152atm(d109,d109_9,c,22,0.221).
1153atm(d109,d109_10,c,22,0.022).
1154atm(d109,d109_11,c,22,-0.108).
1155atm(d109,d109_12,c,14,0.801).
1156atm(d109,d109_13,o,45,-0.649).
1157atm(d109,d109_14,cl,93,-0.179).
1158atm(d109,d109_15,s,77,0.371).
1159atm(d109,d109_16,n,36,-0.279).
1160atm(d109,d109_17,o,51,-0.589).
1161atm(d109,d109_18,o,40,-0.229).
1162atm(d109,d109_19,o,40,-0.229).
1163atm(d109,d109_20,n,32,-0.379).
1164atm(d109,d109_21,c,10,0.022).
1165atm(d109,d109_22,h,3,0.152).
1166atm(d109,d109_23,h,3,0.152).
1167atm(d109,d109_24,h,1,0.271).
1168atm(d109,d109_25,h,1,0.171).
1169atm(d109,d109_26,h,1,0.171).
1170atm(d109,d109_27,h,1,0.321).
1171atm(d109,d109_28,h,3,0.072).
1172atm(d109,d109_29,h,3,0.072).
1173atm(d109,d109_30,h,3,0.152).
1174atm(d109,d109_31,h,3,0.152).
1175atm(d109,d109_32,h,3,0.152).
1176atm(d11,d11_1,c,22,-0.147).
1177atm(d11,d11_2,c,22,0.163).
1178atm(d11,d11_3,c,22,0.183).
1179atm(d11,d11_4,c,22,-0.147).
1180atm(d11,d11_5,c,22,0.183).
1181atm(d11,d11_6,c,22,-0.147).
1182atm(d11,d11_7,h,3,0.112).
1183atm(d11,d11_8,h,3,0.112).
1184atm(d11,d11_9,h,3,0.112).
1185atm(d11,d11_10,n,32,-0.798).
1186atm(d11,d11_11,n,32,-0.798).
1187atm(d11,d11_12,o,50,-0.248).
1188atm(d11,d11_13,c,10,0.073).
1189atm(d11,d11_14,h,3,0.032).
1190atm(d11,d11_15,h,3,0.032).
1191atm(d11,d11_16,h,3,0.032).
1192atm(d11,d11_17,h,1,0.313).
1193atm(d11,d11_18,h,1,0.313).
1194atm(d11,d11_19,h,1,0.312).
1195atm(d11,d11_20,h,1,0.313).
1196atm(d110,d110_1,c,22,-0.102).
1197atm(d110,d110_2,c,22,-0.102).
1198atm(d110,d110_3,c,22,-0.102).
1199atm(d110,d110_4,c,22,-0.102).
1200atm(d110,d110_5,c,22,-0.102).
1201atm(d110,d110_6,c,22,-0.102).
1202atm(d110,d110_7,h,3,0.157).
1203atm(d110,d110_8,h,3,0.157).
1204atm(d110,d110_9,h,3,0.157).
1205atm(d110,d110_10,h,3,0.157).
1206atm(d110,d110_11,h,3,0.157).
1207atm(d110,d110_12,cl,93,-0.173).
1208atm(d111,d111_1,c,22,-0.112).
1209atm(d111,d111_2,c,22,-0.112).
1210atm(d111,d111_3,c,22,0.198).
1211atm(d111,d111_4,c,22,0.199).
1212atm(d111,d111_5,c,22,-0.112).
1213atm(d111,d111_6,c,22,-0.112).
1214atm(d111,d111_7,h,3,0.148).
1215atm(d111,d111_8,h,3,0.148).
1216atm(d111,d111_9,h,3,0.148).
1217atm(d111,d111_10,c,22,0.199).
1218atm(d111,d111_11,c,22,-0.112).
1219atm(d111,d111_12,c,22,-0.112).
1220atm(d111,d111_13,c,22,-0.112).
1221atm(d111,d111_14,c,22,-0.112).
1222atm(d111,d111_15,c,22,0.198).
1223atm(d111,d111_16,h,3,0.148).
1224atm(d111,d111_17,h,3,0.148).
1225atm(d111,d111_18,h,3,0.148).
1226atm(d111,d111_19,o,50,-0.211).
1227atm(d111,d111_20,o,50,-0.211).
1228atm(d111,d111_21,cl,93,-0.182).
1229atm(d111,d111_22,cl,93,-0.182).
1230atm(d112,d112_1,c,191,-0.047).
1231atm(d112,d112_2,c,10,-0.047).
1232atm(d112,d112_3,c,10,-0.097).
1233atm(d112,d112_4,c,10,-0.097).
1234atm(d112,d112_5,c,10,-0.047).
1235atm(d112,d112_6,c,191,-0.047).
1236atm(d112,d112_7,c,10,-0.047).
1237atm(d112,d112_8,c,10,0.202).
1238atm(d112,d112_9,c,10,0.202).
1239atm(d112,d112_10,c,10,-0.047).
1240atm(d112,d112_11,h,3,0.023).
1241atm(d112,d112_12,h,3,0.023).
1242atm(d112,d112_13,o,50,-0.318).
1243atm(d112,d112_14,h,3,0.103).
1244atm(d112,d112_15,h,3,0.103).
1245atm(d112,d112_16,c,10,-0.047).
1246atm(d112,d112_17,h,3,0.103).
1247atm(d112,d112_18,h,3,0.103).
1248atm(d112,d112_19,c,10,0.452).
1249atm(d112,d112_20,cl,93,-0.148).
1250atm(d112,d112_21,cl,93,-0.147).
1251atm(d112,d112_22,cl,93,-0.147).
1252atm(d112,d112_23,cl,93,-0.148).
1253atm(d112,d112_24,h,3,0.103).
1254atm(d112,d112_25,cl,93,-0.147).
1255atm(d112,d112_26,h,3,0.103).
1256atm(d112,d112_27,cl,93,-0.148).
1257atm(d112,d112_28,h,3,0.103).
1258atm(d112,d112_29,h,3,0.103).
1259atm(d113,d113_1,c,22,0.0).
1260atm(d113,d113_2,c,22,-0.13).
1261atm(d113,d113_3,c,22,-0.13).
1262atm(d113,d113_4,c,22,-0.13).
1263atm(d113,d113_5,c,22,-0.129).
1264atm(d113,d113_6,c,22,-0.129).
1265atm(d113,d113_7,h,3,0.131).
1266atm(d113,d113_8,h,3,0.131).
1267atm(d113,d113_9,h,3,0.131).
1268atm(d113,d113_10,h,3,0.131).
1269atm(d113,d113_11,c,22,-0.129).
1270atm(d113,d113_12,c,22,-0.13).
1271atm(d113,d113_13,c,22,-0.13).
1272atm(d113,d113_14,c,22,0.0).
1273atm(d113,d113_15,c,22,-0.13).
1274atm(d113,d113_16,c,22,-0.13).
1275atm(d113,d113_17,h,3,0.13).
1276atm(d113,d113_18,h,3,0.13).
1277atm(d113,d113_19,h,3,0.13).
1278atm(d113,d113_20,h,3,0.13).
1279atm(d113,d113_21,c,10,0.0).
1280atm(d113,d113_22,c,10,-0.1).
1281atm(d113,d113_23,c,10,-0.1).
1282atm(d113,d113_24,h,3,0.05).
1283atm(d113,d113_25,h,3,0.05).
1284atm(d113,d113_26,h,3,0.05).
1285atm(d113,d113_27,h,3,0.05).
1286atm(d113,d113_28,h,3,0.05).
1287atm(d113,d113_29,c,10,-0.1).
1288atm(d113,d113_30,c,10,-0.1).
1289atm(d113,d113_31,h,3,0.05).
1290atm(d113,d113_32,h,3,0.05).
1291atm(d113,d113_33,h,3,0.05).
1292atm(d113,d113_34,h,3,0.05).
1293atm(d113,d113_35,h,3,0.05).
1294atm(d113,d113_36,c,10,0.401).
1295atm(d113,d113_37,h,3,0.1).
1296atm(d113,d113_38,cl,93,-0.199).
1297atm(d113,d113_39,cl,93,-0.199).
1298atm(d113,d113_40,h,3,0.05).
1299atm(d114,d114_1,c,22,-0.03).
1300atm(d114,d114_2,n,35,-0.44).
1301atm(d114,d114_3,c,22,0.2).
1302atm(d114,d114_4,c,22,-0.03).
1303atm(d114,d114_5,c,22,0.3).
1304atm(d114,d114_6,c,22,-0.03).
1305atm(d114,d114_7,cl,93,-0.1).
1306atm(d114,d114_8,n,32,-0.68).
1307atm(d114,d114_9,cl,93,-0.1).
1308atm(d114,d114_10,c,14,0.88).
1309atm(d114,d114_11,o,45,-0.57).
1310atm(d114,d114_12,cl,93,-0.1).
1311atm(d114,d114_13,h,1,0.43).
1312atm(d114,d114_14,h,1,0.43).
1313atm(d114,d114_15,o,51,-0.51).
1314atm(d114,d114_16,h,1,0.35).
1315atm(d115,d115_1,sn,113,0.8).
1316atm(d115,d115_2,cl,93,-0.4).
1317atm(d115,d115_3,cl,93,-0.4).
1318atm(d116,d116_1,c,22,-0.102).
1319atm(d116,d116_2,c,22,-0.102).
1320atm(d116,d116_3,c,22,-0.102).
1321atm(d116,d116_4,c,22,-0.102).
1322atm(d116,d116_5,c,22,-0.102).
1323atm(d116,d116_6,c,22,-0.102).
1324atm(d116,d116_7,h,3,0.157).
1325atm(d116,d116_8,h,3,0.157).
1326atm(d116,d116_9,h,3,0.157).
1327atm(d116,d116_10,h,3,0.157).
1328atm(d116,d116_11,c,22,-0.102).
1329atm(d116,d116_12,c,22,-0.102).
1330atm(d116,d116_13,c,22,-0.102).
1331atm(d116,d116_14,c,22,-0.102).
1332atm(d116,d116_15,c,22,-0.102).
1333atm(d116,d116_16,c,22,-0.102).
1334atm(d116,d116_17,h,3,0.157).
1335atm(d116,d116_18,h,3,0.157).
1336atm(d116,d116_19,h,3,0.157).
1337atm(d116,d116_20,h,3,0.157).
1338atm(d116,d116_21,c,10,0.027).
1339atm(d116,d116_22,c,10,0.427).
1340atm(d116,d116_23,h,3,0.127).
1341atm(d116,d116_24,cl,93,-0.173).
1342atm(d116,d116_25,cl,93,-0.172).
1343atm(d116,d116_26,h,3,0.078).
1344atm(d116,d116_27,cl,93,-0.173).
1345atm(d116,d116_28,cl,93,-0.173).
1346atm(d117,d117_1,c,17,0.204).
1347atm(d117,d117_2,c,17,-0.196).
1348atm(d117,d117_3,c,10,0.104).
1349atm(d117,d117_4,c,10,0.104).
1350atm(d117,d117_5,c,16,-0.196).
1351atm(d117,d117_6,c,16,0.004).
1352atm(d117,d117_7,n,36,-0.297).
1353atm(d117,d117_8,c,10,0.303).
1354atm(d117,d117_9,n,36,-0.297).
1355atm(d117,d117_10,s,77,0.353).
1356atm(d117,d117_11,h,3,0.054).
1357atm(d117,d117_12,h,3,0.054).
1358atm(d117,d117_13,h,3,0.054).
1359atm(d117,d117_14,h,3,0.054).
1360atm(d117,d117_15,h,3,0.104).
1361atm(d117,d117_16,h,3,0.104).
1362atm(d117,d117_17,s,77,0.353).
1363atm(d117,d117_18,cl,93,-0.196).
1364atm(d117,d117_19,o,40,-0.246).
1365atm(d117,d117_20,o,40,-0.247).
1366atm(d117,d117_21,h,1,0.154).
1367atm(d117,d117_22,h,1,0.154).
1368atm(d117,d117_23,n,36,-0.297).
1369atm(d117,d117_24,o,40,-0.247).
1370atm(d117,d117_25,o,40,-0.246).
1371atm(d117,d117_26,h,1,0.154).
1372atm(d117,d117_27,h,1,0.154).
1373atm(d118,d118_1,c,22,-0.019).
1374atm(d118,d118_2,n,35,-0.659).
1375atm(d118,d118_3,c,22,0.98).
1376atm(d118,d118_4,n,35,-0.659).
1377atm(d118,d118_5,c,22,-0.019).
1378atm(d118,d118_6,n,35,-0.659).
1379atm(d118,d118_7,c,22,-0.019).
1380atm(d118,d118_8,c,22,-0.019).
1381atm(d118,d118_9,c,22,-0.019).
1382atm(d118,d118_10,c,22,-0.019).
1383atm(d118,d118_11,c,22,-0.019).
1384atm(d118,d118_12,c,22,0.311).
1385atm(d118,d118_13,h,3,0.241).
1386atm(d118,d118_14,h,3,0.241).
1387atm(d118,d118_15,h,3,0.241).
1388atm(d118,d118_16,h,3,0.241).
1389atm(d118,d118_17,n,32,-0.289).
1390atm(d118,d118_18,cl,93,-0.089).
1391atm(d118,d118_19,cl,93,-0.089).
1392atm(d118,d118_20,cl,93,-0.089).
1393atm(d118,d118_21,h,1,0.411).
1394atm(d119,d119_1,n,36,-0.327).
1395atm(d119,d119_2,c,10,0.073).
1396atm(d119,d119_3,h,3,0.023).
1397atm(d119,d119_4,h,3,0.023).
1398atm(d119,d119_5,h,3,0.022).
1399atm(d119,d119_6,c,10,0.073).
1400atm(d119,d119_7,h,3,0.022).
1401atm(d119,d119_8,h,3,0.022).
1402atm(d119,d119_9,h,3,0.023).
1403atm(d119,d119_10,c,10,0.073).
1404atm(d119,d119_11,h,3,0.022).
1405atm(d119,d119_12,h,3,0.022).
1406atm(d119,d119_13,h,3,0.022).
1407atm(d119,d119_14,c,10,-0.027).
1408atm(d119,d119_15,c,10,0.073).
1409atm(d119,d119_16,h,3,0.022).
1410atm(d119,d119_17,h,3,0.022).
1411atm(d119,d119_18,cl,93,-0.227).
1412atm(d119,d119_19,h,3,0.022).
1413atm(d119,d119_20,h,3,0.022).
1414atm(d12,d12_1,c,22,-0.137).
1415atm(d12,d12_2,c,22,-0.187).
1416atm(d12,d12_3,c,22,0.193).
1417atm(d12,d12_4,c,22,-0.137).
1418atm(d12,d12_5,c,22,0.193).
1419atm(d12,d12_6,c,22,-0.137).
1420atm(d12,d12_7,h,3,0.123).
1421atm(d12,d12_8,h,3,0.123).
1422atm(d12,d12_9,h,3,0.123).
1423atm(d12,d12_10,n,32,-0.786).
1424atm(d12,d12_11,n,32,-0.786).
1425atm(d12,d12_12,h,1,0.323).
1426atm(d12,d12_13,h,1,0.323).
1427atm(d12,d12_14,h,1,0.323).
1428atm(d12,d12_15,h,1,0.324).
1429atm(d12,d12_16,c,10,-0.007).
1430atm(d12,d12_17,h,3,0.043).
1431atm(d12,d12_18,h,3,0.043).
1432atm(d12,d12_19,h,3,0.043).
1433atm(d120,d120_1,c,22,-0.075).
1434atm(d120,d120_2,c,22,-0.075).
1435atm(d120,d120_3,c,22,-0.075).
1436atm(d120,d120_4,c,22,-0.075).
1437atm(d120,d120_5,c,22,-0.075).
1438atm(d120,d120_6,c,22,-0.075).
1439atm(d120,d120_7,h,3,0.185).
1440atm(d120,d120_8,h,3,0.185).
1441atm(d120,d120_9,h,3,0.185).
1442atm(d120,d120_10,h,3,0.185).
1443atm(d120,d120_11,cl,93,-0.145).
1444atm(d120,d120_12,cl,93,-0.145).
1445atm(d121,d121_1,c,16,-0.114).
1446atm(d121,d121_2,c,10,-0.014).
1447atm(d121,d121_3,c,10,-0.064).
1448atm(d121,d121_4,c,10,-0.064).
1449atm(d121,d121_5,c,10,-0.014).
1450atm(d121,d121_6,c,16,-0.114).
1451atm(d121,d121_7,c,10,-0.014).
1452atm(d121,d121_8,c,191,-0.014).
1453atm(d121,d121_9,c,191,-0.014).
1454atm(d121,d121_10,c,10,-0.014).
1455atm(d121,d121_11,h,3,0.056).
1456atm(d121,d121_12,h,3,0.056).
1457atm(d121,d121_13,cl,93,-0.114).
1458atm(d121,d121_14,cl,93,-0.114).
1459atm(d121,d121_15,cl,93,-0.114).
1460atm(d121,d121_16,cl,93,-0.114).
1461atm(d121,d121_17,o,50,-0.283).
1462atm(d121,d121_18,h,3,0.137).
1463atm(d121,d121_19,h,3,0.137).
1464atm(d121,d121_20,c,10,-0.014).
1465atm(d121,d121_21,h,3,0.137).
1466atm(d121,d121_22,h,3,0.137).
1467atm(d121,d121_23,h,3,0.137).
1468atm(d121,d121_24,h,3,0.137).
1469atm(d121,d121_25,c,10,0.487).
1470atm(d121,d121_26,cl,93,-0.114).
1471atm(d121,d121_27,cl,93,-0.114).
1472atm(d122,d122_1,c,22,0.176).
1473atm(d122,d122_2,c,22,-0.133).
1474atm(d122,d122_3,c,22,-0.133).
1475atm(d122,d122_4,c,22,-0.133).
1476atm(d122,d122_5,c,22,-0.133).
1477atm(d122,d122_6,c,22,-0.134).
1478atm(d122,d122_7,h,3,0.127).
1479atm(d122,d122_8,h,3,0.127).
1480atm(d122,d122_9,h,3,0.127).
1481atm(d122,d122_10,h,3,0.127).
1482atm(d122,d122_11,c,22,-0.134).
1483atm(d122,d122_12,c,22,-0.134).
1484atm(d122,d122_13,c,22,0.176).
1485atm(d122,d122_14,c,22,-0.133).
1486atm(d122,d122_15,c,22,-0.133).
1487atm(d122,d122_16,c,22,-0.134).
1488atm(d122,d122_17,h,3,0.127).
1489atm(d122,d122_18,h,3,0.127).
1490atm(d122,d122_19,h,3,0.127).
1491atm(d122,d122_20,h,3,0.127).
1492atm(d122,d122_21,c,10,-0.003).
1493atm(d122,d122_22,c,10,0.496).
1494atm(d122,d122_23,h,3,0.097).
1495atm(d122,d122_24,cl,93,-0.204).
1496atm(d122,d122_25,cl,93,-0.204).
1497atm(d122,d122_26,cl,93,-0.204).
1498atm(d122,d122_27,o,50,-0.234).
1499atm(d122,d122_28,c,10,0.087).
1500atm(d122,d122_29,h,3,0.047).
1501atm(d122,d122_30,h,3,0.047).
1502atm(d122,d122_31,h,3,0.047).
1503atm(d122,d122_32,o,50,-0.234).
1504atm(d122,d122_33,c,10,0.087).
1505atm(d122,d122_34,h,3,0.047).
1506atm(d122,d122_35,h,3,0.047).
1507atm(d122,d122_36,h,3,0.047).
1508atm(d123,d123_1,c,10,-0.138).
1509atm(d123,d123_2,c,10,-0.088).
1510atm(d123,d123_3,h,3,0.062).
1511atm(d123,d123_4,h,3,0.062).
1512atm(d123,d123_5,h,3,0.062).
1513atm(d123,d123_6,c,10,-0.088).
1514atm(d123,d123_7,h,3,0.062).
1515atm(d123,d123_8,h,3,0.062).
1516atm(d123,d123_9,c,14,0.612).
1517atm(d123,d123_10,br,94,-0.138).
1518atm(d123,d123_11,c,10,-0.088).
1519atm(d123,d123_12,c,10,-0.138).
1520atm(d123,d123_13,h,3,0.062).
1521atm(d123,d123_14,h,3,0.062).
1522atm(d123,d123_15,h,3,0.062).
1523atm(d123,d123_16,h,3,0.062).
1524atm(d123,d123_17,h,3,0.062).
1525atm(d123,d123_18,n,32,-0.388).
1526atm(d123,d123_19,c,14,0.612).
1527atm(d123,d123_20,n,32,-0.588).
1528atm(d123,d123_21,o,40,-0.538).
1529atm(d123,d123_22,h,1,0.262).
1530atm(d123,d123_23,o,40,-0.538).
1531atm(d123,d123_24,h,1,0.312).
1532atm(d123,d123_25,h,1,0.312).
1533atm(d124,d124_1,n,32,-0.378).
1534atm(d124,d124_2,c,14,0.622).
1535atm(d124,d124_3,n,32,-0.378).
1536atm(d124,d124_4,o,40,-0.528).
1537atm(d124,d124_5,s,77,0.372).
1538atm(d124,d124_6,h,1,0.322).
1539atm(d124,d124_7,o,40,-0.228).
1540atm(d124,d124_8,o,40,-0.228).
1541atm(d124,d124_9,c,22,-0.108).
1542atm(d124,d124_10,c,22,-0.108).
1543atm(d124,d124_11,c,22,-0.108).
1544atm(d124,d124_12,c,22,-0.108).
1545atm(d124,d124_13,c,22,-0.108).
1546atm(d124,d124_14,c,22,-0.108).
1547atm(d124,d124_15,h,3,0.152).
1548atm(d124,d124_16,h,3,0.152).
1549atm(d124,d124_17,h,3,0.152).
1550atm(d124,d124_18,h,3,0.152).
1551atm(d124,d124_19,cl,93,-0.178).
1552atm(d124,d124_20,c,10,0.022).
1553atm(d124,d124_21,h,1,0.322).
1554atm(d124,d124_22,c,10,-0.078).
1555atm(d124,d124_23,h,3,0.072).
1556atm(d124,d124_24,h,3,0.072).
1557atm(d124,d124_25,c,10,-0.128).
1558atm(d124,d124_26,h,3,0.072).
1559atm(d124,d124_27,h,3,0.072).
1560atm(d124,d124_28,h,3,0.072).
1561atm(d124,d124_29,h,3,0.072).
1562atm(d124,d124_30,h,3,0.072).
1563atm(d125,d125_1,c,22,-0.097).
1564atm(d125,d125_2,c,22,-0.097).
1565atm(d125,d125_3,c,22,-0.097).
1566atm(d125,d125_4,c,22,-0.097).
1567atm(d125,d125_5,c,22,-0.097).
1568atm(d125,d125_6,c,22,-0.097).
1569atm(d125,d125_7,h,3,0.163).
1570atm(d125,d125_8,h,3,0.163).
1571atm(d125,d125_9,h,3,0.163).
1572atm(d125,d125_10,h,3,0.163).
1573atm(d125,d125_11,c,22,-0.097).
1574atm(d125,d125_12,c,22,-0.097).
1575atm(d125,d125_13,c,22,-0.097).
1576atm(d125,d125_14,c,22,-0.097).
1577atm(d125,d125_15,c,22,-0.097).
1578atm(d125,d125_16,c,22,-0.097).
1579atm(d125,d125_17,h,3,0.163).
1580atm(d125,d125_18,h,3,0.163).
1581atm(d125,d125_19,h,3,0.163).
1582atm(d125,d125_20,h,3,0.163).
1583atm(d125,d125_21,c,10,0.033).
1584atm(d125,d125_22,c,10,0.532).
1585atm(d125,d125_23,h,3,0.133).
1586atm(d125,d125_24,cl,93,-0.167).
1587atm(d125,d125_25,cl,93,-0.167).
1588atm(d125,d125_26,cl,93,-0.168).
1589atm(d125,d125_27,cl,93,-0.168).
1590atm(d125,d125_28,cl,93,-0.168).
1591atm(d126,d126_1,c,10,0.15).
1592atm(d126,d126_2,c,10,0.15).
1593atm(d126,d126_3,c,10,0.15).
1594atm(d126,d126_4,c,10,0.15).
1595atm(d126,d126_5,c,10,0.15).
1596atm(d126,d126_6,c,10,0.15).
1597atm(d126,d126_7,cl,93,-0.2).
1598atm(d126,d126_8,cl,93,-0.2).
1599atm(d126,d126_9,cl,93,-0.2).
1600atm(d126,d126_10,cl,93,-0.2).
1601atm(d126,d126_11,cl,93,-0.2).
1602atm(d126,d126_12,cl,93,-0.2).
1603atm(d126,d126_13,h,3,0.05).
1604atm(d126,d126_14,h,3,0.05).
1605atm(d126,d126_15,h,3,0.05).
1606atm(d126,d126_16,h,3,0.05).
1607atm(d126,d126_17,h,3,0.05).
1608atm(d126,d126_18,h,3,0.05).
1609atm(d127,d127_1,c,22,-0.003).
1610atm(d127,d127_2,c,22,-0.003).
1611atm(d127,d127_3,c,22,-0.003).
1612atm(d127,d127_4,c,22,-0.003).
1613atm(d127,d127_5,c,22,-0.003).
1614atm(d127,d127_6,c,22,-0.003).
1615atm(d127,d127_7,cl,93,-0.073).
1616atm(d127,d127_8,cl,93,-0.073).
1617atm(d127,d127_9,cl,93,-0.073).
1618atm(d127,d127_10,cl,93,-0.073).
1619atm(d127,d127_11,cl,93,-0.073).
1620atm(d127,d127_12,n,38,0.928).
1621atm(d127,d127_13,o,40,-0.272).
1622atm(d127,d127_14,o,40,-0.273).
1623atm(d128,d128_1,c,10,-0.026).
1624atm(d128,d128_2,c,10,-0.076).
1625atm(d128,d128_3,c,10,-0.026).
1626atm(d128,d128_4,c,10,0.225).
1627atm(d128,d128_5,cl,93,-0.125).
1628atm(d128,d128_6,c,10,-0.026).
1629atm(d128,d128_7,h,3,0.124).
1630atm(d128,d128_8,c,10,-0.026).
1631atm(d128,d128_9,h,3,0.044).
1632atm(d128,d128_10,c,10,-0.026).
1633atm(d128,d128_11,c,191,-0.026).
1634atm(d128,d128_12,c,191,-0.026).
1635atm(d128,d128_13,o,50,-0.295).
1636atm(d128,d128_14,h,3,0.124).
1637atm(d128,d128_15,h,3,0.125).
1638atm(d128,d128_16,c,10,-0.076).
1639atm(d128,d128_17,h,3,0.125).
1640atm(d128,d128_18,c,10,0.475).
1641atm(d128,d128_19,cl,93,-0.125).
1642atm(d128,d128_20,cl,93,-0.125).
1643atm(d128,d128_21,cl,93,-0.125).
1644atm(d128,d128_22,cl,93,-0.125).
1645atm(d128,d128_23,c,10,-0.076).
1646atm(d128,d128_24,h,3,0.044).
1647atm(d128,d128_25,h,3,0.125).
1648atm(d128,d128_26,h,3,0.044).
1649atm(d128,d128_27,cl,93,-0.125).
1650atm(d129,d129_1,cl,93,-0.224).
1651atm(d129,d129_2,c,16,0.376).
1652atm(d129,d129_3,cl,93,-0.224).
1653atm(d129,d129_4,c,16,-0.224).
1654atm(d129,d129_5,c,10,0.067).
1655atm(d129,d129_6,h,3,0.027).
1656atm(d129,d129_7,h,3,0.027).
1657atm(d129,d129_8,h,3,0.027).
1658atm(d129,d129_9,c,10,0.067).
1659atm(d129,d129_10,h,3,0.027).
1660atm(d129,d129_11,h,3,0.027).
1661atm(d129,d129_12,h,3,0.027).
1662atm(d13,d13_1,c,22,-0.133).
1663atm(d13,d13_2,c,22,0.196).
1664atm(d13,d13_3,c,22,-0.134).
1665atm(d13,d13_4,c,22,-0.133).
1666atm(d13,d13_5,c,22,0.196).
1667atm(d13,d13_6,c,22,-0.133).
1668atm(d13,d13_7,h,3,0.127).
1669atm(d13,d13_8,h,3,0.127).
1670atm(d13,d13_9,h,3,0.127).
1671atm(d13,d13_10,n,32,-0.404).
1672atm(d13,d13_11,n,38,0.796).
1673atm(d13,d13_12,n,32,-0.404).
1674atm(d13,d13_13,c,10,-0.003).
1675atm(d13,d13_14,h,3,0.047).
1676atm(d13,d13_15,h,3,0.047).
1677atm(d13,d13_16,h,3,0.047).
1678atm(d13,d13_17,h,1,0.296).
1679atm(d13,d13_18,o,40,-0.404).
1680atm(d13,d13_19,o,40,-0.404).
1681atm(d13,d13_20,c,10,-0.003).
1682atm(d13,d13_21,c,10,0.166).
1683atm(d13,d13_22,h,3,0.047).
1684atm(d13,d13_23,h,3,0.047).
1685atm(d13,d13_24,o,45,-0.654).
1686atm(d13,d13_25,h,3,0.037).
1687atm(d13,d13_26,h,3,0.037).
1688atm(d13,d13_27,c,10,-0.003).
1689atm(d13,d13_28,c,10,0.166).
1690atm(d13,d13_29,h,3,0.047).
1691atm(d13,d13_30,h,3,0.047).
1692atm(d13,d13_31,o,45,-0.654).
1693atm(d13,d13_32,h,3,0.037).
1694atm(d13,d13_33,h,3,0.037).
1695atm(d13,d13_34,h,8,0.396).
1696atm(d13,d13_35,h,8,0.396).
1697atm(d130,d130_1,c,22,-0.093).
1698atm(d130,d130_2,c,22,-0.093).
1699atm(d130,d130_3,c,22,-0.093).
1700atm(d130,d130_4,c,22,0.137).
1701atm(d130,d130_5,c,22,-0.093).
1702atm(d130,d130_6,c,22,-0.093).
1703atm(d130,d130_7,h,3,0.167).
1704atm(d130,d130_8,h,3,0.167).
1705atm(d130,d130_9,h,3,0.167).
1706atm(d130,d130_10,h,3,0.167).
1707atm(d130,d130_11,c,16,-0.163).
1708atm(d130,d130_12,cl,93,-0.163).
1709atm(d130,d130_13,c,16,-0.163).
1710atm(d130,d130_14,h,3,0.137).
1711atm(d130,d130_15,c,19,0.468).
1712atm(d130,d130_16,c,19,0.468).
1713atm(d130,d130_17,n,31,-0.462).
1714atm(d130,d130_18,n,31,-0.462).
1715atm(d131,d131_1,c,22,-0.06).
1716atm(d131,d131_2,c,22,-0.06).
1717atm(d131,d131_3,c,22,-0.06).
1718atm(d131,d131_4,c,22,-0.06).
1719atm(d131,d131_5,c,22,0.25).
1720atm(d131,d131_6,c,22,-0.06).
1721atm(d131,d131_7,cl,93,-0.13).
1722atm(d131,d131_8,cl,93,-0.13).
1723atm(d131,d131_9,o,50,-0.16).
1724atm(d131,d131_10,c,10,0.16).
1725atm(d131,d131_11,h,3,0.12).
1726atm(d131,d131_12,h,3,0.12).
1727atm(d131,d131_13,h,3,0.12).
1728atm(d131,d131_14,cl,93,-0.13).
1729atm(d131,d131_15,cl,93,-0.13).
1730atm(d131,d131_16,n,38,0.87).
1731atm(d131,d131_17,o,40,-0.33).
1732atm(d131,d131_18,o,40,-0.33).
1733atm(d132,d132_1,c,22,0.247).
1734atm(d132,d132_2,n,35,-0.543).
1735atm(d132,d132_3,c,22,0.497).
1736atm(d132,d132_4,c,22,-0.132).
1737atm(d132,d132_5,c,22,-0.132).
1738atm(d132,d132_6,c,22,-0.132).
1739atm(d132,d132_7,h,3,0.128).
1740atm(d132,d132_8,h,3,0.128).
1741atm(d132,d132_9,h,3,0.128).
1742atm(d132,d132_10,h,3,0.128).
1743atm(d132,d132_11,c,22,-0.132).
1744atm(d132,d132_12,c,22,-0.132).
1745atm(d132,d132_13,c,22,-0.132).
1746atm(d132,d132_14,c,22,-0.132).
1747atm(d132,d132_15,c,22,-0.132).
1748atm(d132,d132_16,c,22,-0.132).
1749atm(d132,d132_17,h,3,0.128).
1750atm(d132,d132_18,h,3,0.128).
1751atm(d132,d132_19,h,3,0.128).
1752atm(d132,d132_20,h,3,0.128).
1753atm(d132,d132_21,c,10,-0.002).
1754atm(d132,d132_22,c,10,-0.102).
1755atm(d132,d132_23,h,3,0.098).
1756atm(d132,d132_24,c,10,-0.002).
1757atm(d132,d132_25,h,3,0.048).
1758atm(d132,d132_26,h,3,0.048).
1759atm(d132,d132_27,n,36,-0.303).
1760atm(d132,d132_28,h,3,0.048).
1761atm(d132,d132_29,h,3,0.048).
1762atm(d132,d132_30,c,10,-0.002).
1763atm(d132,d132_31,h,3,0.048).
1764atm(d132,d132_32,h,3,0.048).
1765atm(d132,d132_33,h,3,0.048).
1766atm(d132,d132_34,c,10,-0.002).
1767atm(d132,d132_35,h,3,0.048).
1768atm(d132,d132_36,h,3,0.048).
1769atm(d132,d132_37,h,3,0.048).
1770atm(d132,d132_38,cl,93,-0.202).
1771atm(d133,d133_1,c,22,-0.079).
1772atm(d133,d133_2,c,22,-0.079).
1773atm(d133,d133_3,c,22,-0.079).
1774atm(d133,d133_4,c,22,-0.079).
1775atm(d133,d133_5,c,22,0.3).
1776atm(d133,d133_6,c,22,-0.079).
1777atm(d133,d133_7,h,3,0.181).
1778atm(d133,d133_8,h,3,0.181).
1779atm(d133,d133_9,h,3,0.181).
1780atm(d133,d133_10,o,45,-0.6).
1781atm(d133,d133_11,cl,93,-0.149).
1782atm(d133,d133_12,cl,93,-0.149).
1783atm(d133,d133_13,h,8,0.45).
1784atm(d134,d134_1,c,22,-0.13).
1785atm(d134,d134_2,c,22,-0.13).
1786atm(d134,d134_3,c,22,-0.13).
1787atm(d134,d134_4,c,22,-0.13).
1788atm(d134,d134_5,c,22,-0.13).
1789atm(d134,d134_6,c,22,-0.13).
1790atm(d134,d134_7,h,3,0.13).
1791atm(d134,d134_8,h,3,0.13).
1792atm(d134,d134_9,h,3,0.13).
1793atm(d134,d134_10,h,3,0.13).
1794atm(d134,d134_11,h,3,0.13).
1795atm(d134,d134_12,h,3,0.13).
1796atm(d135,d135_1,c,22,-0.123).
1797atm(d135,d135_2,c,22,-0.122).
1798atm(d135,d135_3,c,22,0.007).
1799atm(d135,d135_4,c,22,0.007).
1800atm(d135,d135_5,c,22,-0.123).
1801atm(d135,d135_6,c,22,-0.123).
1802atm(d135,d135_7,h,3,0.138).
1803atm(d135,d135_8,h,3,0.138).
1804atm(d135,d135_9,h,3,0.138).
1805atm(d135,d135_10,h,3,0.138).
1806atm(d135,d135_11,c,14,0.708).
1807atm(d135,d135_12,c,10,-0.142).
1808atm(d135,d135_13,o,51,-0.542).
1809atm(d135,d135_14,c,10,-0.093).
1810atm(d135,d135_15,c,10,-0.093).
1811atm(d135,d135_16,c,10,-0.142).
1812atm(d135,d135_17,h,3,0.057).
1813atm(d135,d135_18,h,3,0.057).
1814atm(d135,d135_19,h,3,0.057).
1815atm(d135,d135_20,h,3,0.057).
1816atm(d135,d135_21,h,3,0.057).
1817atm(d135,d135_22,c,10,-0.093).
1818atm(d135,d135_23,h,3,0.057).
1819atm(d135,d135_24,h,3,0.057).
1820atm(d135,d135_25,c,10,-0.093).
1821atm(d135,d135_26,h,3,0.057).
1822atm(d135,d135_27,h,3,0.057).
1823atm(d135,d135_28,c,10,-0.142).
1824atm(d135,d135_29,h,3,0.057).
1825atm(d135,d135_30,h,3,0.057).
1826atm(d135,d135_31,h,3,0.057).
1827atm(d135,d135_32,h,3,0.057).
1828atm(d135,d135_33,h,3,0.057).
1829atm(d135,d135_34,o,49,-0.642).
1830atm(d135,d135_35,c,10,0.258).
1831atm(d135,d135_36,h,3,0.107).
1832atm(d135,d135_37,h,3,0.107).
1833atm(d135,d135_38,h,3,-0.023).
1834atm(d135,d135_39,c,14,0.708).
1835atm(d135,d135_40,o,49,-0.642).
1836atm(d135,d135_41,c,10,0.258).
1837atm(d135,d135_42,c,10,-0.142).
1838atm(d135,d135_43,h,3,0.107).
1839atm(d135,d135_44,h,3,0.107).
1840atm(d135,d135_45,c,10,-0.142).
1841atm(d135,d135_46,h,3,0.057).
1842atm(d135,d135_47,h,3,0.057).
1843atm(d135,d135_48,h,3,0.057).
1844atm(d135,d135_49,c,10,-0.093).
1845atm(d135,d135_50,h,3,-0.023).
1846atm(d135,d135_51,c,10,-0.093).
1847atm(d135,d135_52,h,3,0.057).
1848atm(d135,d135_53,h,3,0.057).
1849atm(d135,d135_54,c,10,-0.093).
1850atm(d135,d135_55,h,3,0.057).
1851atm(d135,d135_56,h,3,0.057).
1852atm(d135,d135_57,c,10,-0.142).
1853atm(d135,d135_58,h,3,0.057).
1854atm(d135,d135_59,h,3,0.057).
1855atm(d135,d135_60,h,3,0.057).
1856atm(d135,d135_61,h,3,0.057).
1857atm(d135,d135_62,h,3,0.057).
1858atm(d135,d135_63,o,51,-0.542).
1859atm(d136,d136_1,n,36,-0.245).
1860atm(d136,d136_2,c,10,-0.095).
1861atm(d136,d136_3,c,14,0.834).
1862atm(d136,d136_4,h,3,0.105).
1863atm(d136,d136_5,h,3,0.105).
1864atm(d136,d136_6,o,51,-0.556).
1865atm(d136,d136_7,o,45,-0.616).
1866atm(d136,d136_8,c,10,-0.095).
1867atm(d136,d136_9,c,14,0.834).
1868atm(d136,d136_10,h,3,0.105).
1869atm(d136,d136_11,h,3,0.105).
1870atm(d136,d136_12,o,51,-0.556).
1871atm(d136,d136_13,o,45,-0.616).
1872atm(d136,d136_14,c,10,-0.095).
1873atm(d136,d136_15,c,14,0.834).
1874atm(d136,d136_16,h,3,0.105).
1875atm(d136,d136_17,h,3,0.105).
1876atm(d136,d136_18,o,45,-0.616).
1877atm(d136,d136_19,o,51,-0.556).
1878atm(d136,d136_20,h,1,0.305).
1879atm(d136,d136_21,h,1,0.304).
1880atm(d136,d136_22,h,1,0.305).
1881atm(d137,d137_1,c,22,0.177).
1882atm(d137,d137_2,c,22,-0.133).
1883atm(d137,d137_3,c,26,-0.043).
1884atm(d137,d137_4,c,26,0.097).
1885atm(d137,d137_5,c,22,-0.133).
1886atm(d137,d137_6,c,22,-0.133).
1887atm(d137,d137_7,h,3,0.127).
1888atm(d137,d137_8,h,3,0.097).
1889atm(d137,d137_9,h,3,0.127).
1890atm(d137,d137_10,c,21,-0.003).
1891atm(d137,d137_11,c,10,0.047).
1892atm(d137,d137_12,n,36,-0.302).
1893atm(d137,d137_13,c,10,-0.003).
1894atm(d137,d137_14,c,10,-0.103).
1895atm(d137,d137_15,c,21,-0.033).
1896atm(d137,d137_16,h,3,0.047).
1897atm(d137,d137_17,h,3,0.047).
1898atm(d137,d137_18,h,3,0.047).
1899atm(d137,d137_19,h,3,0.047).
1900atm(d137,d137_20,n,34,-0.362).
1901atm(d137,d137_21,o,50,-0.232).
1902atm(d137,d137_22,c,10,0.087).
1903atm(d137,d137_23,h,3,0.047).
1904atm(d137,d137_24,h,3,0.047).
1905atm(d137,d137_25,h,3,0.047).
1906atm(d137,d137_26,c,10,-0.103).
1907atm(d137,d137_27,c,10,-0.153).
1908atm(d137,d137_28,c,10,-0.153).
1909atm(d137,d137_29,c,10,-0.003).
1910atm(d137,d137_30,h,3,0.047).
1911atm(d137,d137_31,h,3,0.047).
1912atm(d137,d137_32,h,3,0.047).
1913atm(d137,d137_33,h,3,0.047).
1914atm(d137,d137_34,h,3,0.047).
1915atm(d137,d137_35,c,10,-0.103).
1916atm(d137,d137_36,c,10,0.062).
1917atm(d137,d137_37,c,10,0.248).
1918atm(d137,d137_38,c,10,-0.103).
1919atm(d137,d137_39,h,3,-0.033).
1920atm(d137,d137_40,h,3,-0.033).
1921atm(d137,d137_41,h,3,0.047).
1922atm(d137,d137_42,h,3,0.047).
1923atm(d137,d137_43,c,14,0.698).
1924atm(d137,d137_44,h,3,0.077).
1925atm(d137,d137_45,o,49,-0.652).
1926atm(d137,d137_46,c,10,0.238).
1927atm(d137,d137_47,h,3,0.097).
1928atm(d137,d137_48,h,3,0.097).
1929atm(d137,d137_49,h,3,0.097).
1930atm(d137,d137_50,o,51,-0.552).
1931atm(d137,d137_51,o,50,-0.372).
1932atm(d137,d137_52,h,3,0.047).
1933atm(d137,d137_53,c,10,0.017).
1934atm(d137,d137_54,h,3,0.057).
1935atm(d137,d137_55,h,3,0.057).
1936atm(d137,d137_56,h,3,0.057).
1937atm(d137,d137_57,o,49,-0.652).
1938atm(d137,d137_58,h,3,0.177).
1939atm(d137,d137_59,c,14,0.698).
1940atm(d137,d137_60,c,22,-0.003).
1941atm(d137,d137_61,c,22,-0.133).
1942atm(d137,d137_62,c,22,0.178).
1943atm(d137,d137_63,c,22,0.177).
1944atm(d137,d137_64,c,22,0.177).
1945atm(d137,d137_65,c,22,-0.133).
1946atm(d137,d137_66,h,3,0.127).
1947atm(d137,d137_67,h,3,0.127).
1948atm(d137,d137_68,o,51,-0.552).
1949atm(d137,d137_69,o,50,-0.232).
1950atm(d137,d137_70,c,10,0.087).
1951atm(d137,d137_71,h,3,0.047).
1952atm(d137,d137_72,h,3,0.047).
1953atm(d137,d137_73,h,3,0.047).
1954atm(d137,d137_74,o,50,-0.232).
1955atm(d137,d137_75,c,10,0.087).
1956atm(d137,d137_76,h,3,0.047).
1957atm(d137,d137_77,h,3,0.047).
1958atm(d137,d137_78,h,3,0.047).
1959atm(d137,d137_79,o,50,-0.232).
1960atm(d137,d137_80,c,10,0.087).
1961atm(d137,d137_81,h,3,0.047).
1962atm(d137,d137_82,h,3,0.047).
1963atm(d137,d137_83,h,3,0.047).
1964atm(d137,d137_84,h,1,0.298).
1965atm(d138,d138_1,c,22,-0.13).
1966atm(d138,d138_2,c,22,0.25).
1967atm(d138,d138_3,c,22,-0.13).
1968atm(d138,d138_4,c,22,-0.13).
1969atm(d138,d138_5,c,22,0.25).
1970atm(d138,d138_6,c,22,-0.13).
1971atm(d138,d138_7,h,3,0.13).
1972atm(d138,d138_8,h,3,0.13).
1973atm(d138,d138_9,h,3,0.13).
1974atm(d138,d138_10,h,3,0.13).
1975atm(d138,d138_11,o,45,-0.65).
1976atm(d138,d138_12,o,45,-0.65).
1977atm(d138,d138_13,h,8,0.4).
1978atm(d138,d138_14,h,8,0.4).
1979atm(d139,d139_1,c,10,-0.093).
1980atm(d139,d139_2,c,10,-0.093).
1981atm(d139,d139_3,c,10,-0.093).
1982atm(d139,d139_4,h,3,0.057).
1983atm(d139,d139_5,h,3,0.057).
1984atm(d139,d139_6,c,10,-0.094).
1985atm(d139,d139_7,h,3,0.057).
1986atm(d139,d139_8,h,3,0.057).
1987atm(d139,d139_9,c,10,-0.094).
1988atm(d139,d139_10,h,3,0.057).
1989atm(d139,d139_11,h,3,0.057).
1990atm(d139,d139_12,c,10,-0.093).
1991atm(d139,d139_13,h,3,0.057).
1992atm(d139,d139_14,h,3,0.057).
1993atm(d139,d139_15,c,10,-0.093).
1994atm(d139,d139_16,h,3,0.057).
1995atm(d139,d139_17,h,3,0.057).
1996atm(d139,d139_18,c,10,-0.093).
1997atm(d139,d139_19,h,3,0.057).
1998atm(d139,d139_20,h,3,0.057).
1999atm(d139,d139_21,c,10,-0.093).
2000atm(d139,d139_22,h,3,0.057).
2001atm(d139,d139_23,h,3,0.057).
2002atm(d139,d139_24,c,10,-0.093).
2003atm(d139,d139_25,h,3,0.057).
2004atm(d139,d139_26,h,3,0.057).
2005atm(d139,d139_27,c,14,0.786).
2006atm(d139,d139_28,h,3,0.057).
2007atm(d139,d139_29,h,3,0.057).
2008atm(d139,d139_30,o,45,-0.664).
2009atm(d139,d139_31,o,51,-0.604).
2010atm(d139,d139_32,h,1,0.256).
2011atm(d139,d139_33,n,36,-0.294).
2012atm(d139,d139_34,h,3,0.057).
2013atm(d139,d139_35,h,3,0.057).
2014atm(d139,d139_36,h,1,0.156).
2015atm(d139,d139_37,h,1,0.156).
2016atm(d14,d14_1,c,22,-0.137).
2017atm(d14,d14_2,c,22,-0.138).
2018atm(d14,d14_3,c,22,0.193).
2019atm(d14,d14_4,c,22,-0.138).
2020atm(d14,d14_5,c,22,-0.138).
2021atm(d14,d14_6,c,22,-0.138).
2022atm(d14,d14_7,h,3,0.122).
2023atm(d14,d14_8,h,3,0.122).
2024atm(d14,d14_9,h,3,0.122).
2025atm(d14,d14_10,h,3,0.122).
2026atm(d14,d14_11,h,3,0.122).
2027atm(d14,d14_12,n,32,-0.407).
2028atm(d14,d14_13,n,32,-0.407).
2029atm(d14,d14_14,c,22,0.193).
2030atm(d14,d14_15,c,22,-0.138).
2031atm(d14,d14_16,c,22,-0.138).
2032atm(d14,d14_17,c,22,-0.137).
2033atm(d14,d14_18,c,22,-0.138).
2034atm(d14,d14_19,c,22,-0.138).
2035atm(d14,d14_20,h,3,0.122).
2036atm(d14,d14_21,h,3,0.122).
2037atm(d14,d14_22,h,3,0.122).
2038atm(d14,d14_23,h,3,0.122).
2039atm(d14,d14_24,h,3,0.122).
2040atm(d14,d14_25,h,1,0.293).
2041atm(d14,d14_26,h,1,0.293).
2042atm(d140,d140_1,c,22,0.25).
2043atm(d140,d140_2,c,22,-0.131).
2044atm(d140,d140_3,c,22,0.099).
2045atm(d140,d140_4,c,22,-0.001).
2046atm(d140,d140_5,c,22,0.25).
2047atm(d140,d140_6,c,22,-0.131).
2048atm(d140,d140_7,h,3,0.129).
2049atm(d140,d140_8,h,3,0.129).
2050atm(d140,d140_9,c,16,-0.2).
2051atm(d140,d140_10,c,16,-0.2).
2052atm(d140,d140_11,c,10,0.099).
2053atm(d140,d140_12,c,10,-0.101).
2054atm(d140,d140_13,h,3,0.049).
2055atm(d140,d140_14,h,3,0.049).
2056atm(d140,d140_15,c,10,-0.101).
2057atm(d140,d140_16,h,3,0.049).
2058atm(d140,d140_17,h,3,0.049).
2059atm(d140,d140_18,c,14,0.58).
2060atm(d140,d140_19,h,3,0.049).
2061atm(d140,d140_20,h,3,0.049).
2062atm(d140,d140_21,o,42,-0.58).
2063atm(d140,d140_22,c,10,-0.101).
2064atm(d140,d140_23,c,10,-0.101).
2065atm(d140,d140_24,h,3,0.049).
2066atm(d140,d140_25,h,3,0.049).
2067atm(d140,d140_26,c,10,-0.101).
2068atm(d140,d140_27,h,3,0.049).
2069atm(d140,d140_28,h,3,0.049).
2070atm(d140,d140_29,c,10,0.25).
2071atm(d140,d140_30,h,3,0.049).
2072atm(d140,d140_31,h,3,0.049).
2073atm(d140,d140_32,c,10,-0.151).
2074atm(d140,d140_33,h,3,0.049).
2075atm(d140,d140_34,h,3,0.049).
2076atm(d140,d140_35,h,3,0.049).
2077atm(d140,d140_36,o,49,-0.65).
2078atm(d140,d140_37,h,3,0.18).
2079atm(d140,d140_38,c,14,0.7).
2080atm(d140,d140_39,o,45,-0.65).
2081atm(d140,d140_40,o,45,-0.65).
2082atm(d140,d140_41,h,8,0.4).
2083atm(d140,d140_42,h,8,0.4).
2084atm(d140,d140_43,o,51,-0.55).
2085atm(d140,d140_44,h,3,0.099).
2086atm(d140,d140_45,h,3,0.099).
2087atm(d141,d141_1,c,22,-0.137).
2088atm(d141,d141_2,c,22,-0.137).
2089atm(d141,d141_3,c,22,-0.137).
2090atm(d141,d141_4,c,22,-0.137).
2091atm(d141,d141_5,c,22,-0.137).
2092atm(d141,d141_6,c,22,-0.137).
2093atm(d141,d141_7,h,3,0.123).
2094atm(d141,d141_8,h,3,0.123).
2095atm(d141,d141_9,h,3,0.123).
2096atm(d141,d141_10,h,3,0.123).
2097atm(d141,d141_11,h,3,0.123).
2098atm(d141,d141_12,c,10,0.223).
2099atm(d141,d141_13,o,49,-0.458).
2100atm(d141,d141_14,h,3,0.093).
2101atm(d141,d141_15,h,3,0.093).
2102atm(d141,d141_16,c,14,0.692).
2103atm(d141,d141_17,c,10,-0.007).
2104atm(d141,d141_18,h,3,0.043).
2105atm(d141,d141_19,h,3,0.043).
2106atm(d141,d141_20,h,3,0.043).
2107atm(d141,d141_21,o,51,-0.558).
2108atm(d142,d142_1,c,22,-0.075).
2109atm(d142,d142_2,c,22,-0.075).
2110atm(d142,d142_3,c,26,-0.045).
2111atm(d142,d142_4,c,26,0.155).
2112atm(d142,d142_5,c,22,-0.075).
2113atm(d142,d142_6,c,22,-0.075).
2114atm(d142,d142_7,h,3,0.185).
2115atm(d142,d142_8,h,3,0.184).
2116atm(d142,d142_9,h,3,0.185).
2117atm(d142,d142_10,h,3,0.184).
2118atm(d142,d142_11,n,34,-0.486).
2119atm(d142,d142_12,c,21,0.055).
2120atm(d142,d142_13,s,72,-0.175).
2121atm(d142,d142_14,s,70,-0.246).
2122atm(d142,d142_15,h,1,0.304).
2123atm(d143,d143_1,c,22,-0.125).
2124atm(d143,d143_2,c,22,-0.125).
2125atm(d143,d143_3,c,22,0.005).
2126atm(d143,d143_4,c,22,0.776).
2127atm(d143,d143_5,n,35,-0.764).
2128atm(d143,d143_6,c,22,0.505).
2129atm(d143,d143_7,c,14,0.555).
2130atm(d143,d143_8,c,16,-0.195).
2131atm(d143,d143_9,c,16,-0.195).
2132atm(d143,d143_10,n,32,-0.395).
2133atm(d143,d143_11,h,3,0.135).
2134atm(d143,d143_12,h,3,0.135).
2135atm(d143,d143_13,o,40,-0.545).
2136atm(d143,d143_14,c,10,0.005).
2137atm(d143,d143_15,c,10,-0.095).
2138atm(d143,d143_16,h,3,0.055).
2139atm(d143,d143_17,h,3,0.055).
2140atm(d143,d143_18,h,3,0.055).
2141atm(d143,d143_19,h,3,0.055).
2142atm(d143,d143_20,h,3,0.055).
2143atm(d143,d143_21,c,14,0.786).
2144atm(d143,d143_22,o,45,-0.664).
2145atm(d143,d143_23,o,51,-0.604).
2146atm(d143,d143_24,h,1,0.255).
2147atm(d143,d143_25,c,10,0.005).
2148atm(d143,d143_26,h,3,0.055).
2149atm(d143,d143_27,h,3,0.055).
2150atm(d143,d143_28,h,3,0.055).
2151atm(d143,d143_29,h,3,0.105).
2152atm(d144,d144_1,c,14,0.706).
2153atm(d144,d144_2,o,49,-0.644).
2154atm(d144,d144_3,c,10,0.256).
2155atm(d144,d144_4,c,10,-0.144).
2156atm(d144,d144_5,h,3,0.107).
2157atm(d144,d144_6,h,3,0.106).
2158atm(d144,d144_7,c,10,-0.093).
2159atm(d144,d144_8,c,10,-0.144).
2160atm(d144,d144_9,h,3,0.057).
2161atm(d144,d144_10,h,3,0.057).
2162atm(d144,d144_11,h,3,0.057).
2163atm(d144,d144_12,h,3,0.057).
2164atm(d144,d144_13,h,3,0.057).
2165atm(d144,d144_14,c,10,-0.093).
2166atm(d144,d144_15,h,3,-0.023).
2167atm(d144,d144_16,c,10,-0.093).
2168atm(d144,d144_17,h,3,0.057).
2169atm(d144,d144_18,h,3,0.057).
2170atm(d144,d144_19,c,10,-0.093).
2171atm(d144,d144_20,h,3,0.057).
2172atm(d144,d144_21,h,3,0.057).
2173atm(d144,d144_22,c,10,-0.144).
2174atm(d144,d144_23,h,3,0.057).
2175atm(d144,d144_24,h,3,0.057).
2176atm(d144,d144_25,h,3,0.057).
2177atm(d144,d144_26,h,3,0.057).
2178atm(d144,d144_27,h,3,0.057).
2179atm(d144,d144_28,o,51,-0.544).
2180atm(d144,d144_29,c,10,-0.093).
2181atm(d144,d144_30,c,10,-0.093).
2182atm(d144,d144_31,c,14,0.706).
2183atm(d144,d144_32,o,51,-0.544).
2184atm(d144,d144_33,o,49,-0.644).
2185atm(d144,d144_34,c,10,0.256).
2186atm(d144,d144_35,c,10,-0.144).
2187atm(d144,d144_36,h,3,0.107).
2188atm(d144,d144_37,h,3,0.106).
2189atm(d144,d144_38,c,10,-0.093).
2190atm(d144,d144_39,c,10,-0.144).
2191atm(d144,d144_40,h,3,0.057).
2192atm(d144,d144_41,h,3,0.057).
2193atm(d144,d144_42,h,3,0.057).
2194atm(d144,d144_43,h,3,0.057).
2195atm(d144,d144_44,h,3,0.057).
2196atm(d144,d144_45,c,10,-0.093).
2197atm(d144,d144_46,h,3,-0.023).
2198atm(d144,d144_47,c,10,-0.093).
2199atm(d144,d144_48,h,3,0.057).
2200atm(d144,d144_49,h,3,0.057).
2201atm(d144,d144_50,c,10,-0.093).
2202atm(d144,d144_51,h,3,0.057).
2203atm(d144,d144_52,h,3,0.057).
2204atm(d144,d144_53,c,10,-0.144).
2205atm(d144,d144_54,h,3,0.057).
2206atm(d144,d144_55,h,3,0.057).
2207atm(d144,d144_56,h,3,0.057).
2208atm(d144,d144_57,h,3,0.057).
2209atm(d144,d144_58,h,3,0.057).
2210atm(d144,d144_59,c,10,-0.093).
2211atm(d144,d144_60,h,3,0.057).
2212atm(d144,d144_61,h,3,0.057).
2213atm(d144,d144_62,c,10,-0.093).
2214atm(d144,d144_63,h,3,0.057).
2215atm(d144,d144_64,h,3,0.057).
2216atm(d144,d144_65,h,3,0.057).
2217atm(d144,d144_66,h,3,0.057).
2218atm(d144,d144_67,h,3,0.057).
2219atm(d144,d144_68,h,3,0.057).
2220atm(d145,d145_1,c,22,-0.124).
2221atm(d145,d145_2,c,22,-0.124).
2222atm(d145,d145_3,c,22,0.006).
2223atm(d145,d145_4,c,22,0.006).
2224atm(d145,d145_5,c,22,-0.124).
2225atm(d145,d145_6,c,22,-0.124).
2226atm(d145,d145_7,h,3,0.136).
2227atm(d145,d145_8,h,3,0.136).
2228atm(d145,d145_9,h,3,0.136).
2229atm(d145,d145_10,h,3,0.136).
2230atm(d145,d145_11,c,14,0.705).
2231atm(d145,d145_12,c,10,0.255).
2232atm(d145,d145_13,c,10,-0.094).
2233atm(d145,d145_14,c,10,-0.094).
2234atm(d145,d145_15,h,3,0.056).
2235atm(d145,d145_16,h,3,0.056).
2236atm(d145,d145_17,c,10,-0.144).
2237atm(d145,d145_18,h,3,0.056).
2238atm(d145,d145_19,h,3,0.056).
2239atm(d145,d145_20,h,3,0.056).
2240atm(d145,d145_21,h,3,0.056).
2241atm(d145,d145_22,h,3,0.056).
2242atm(d145,d145_23,o,51,-0.545).
2243atm(d145,d145_24,c,14,0.705).
2244atm(d145,d145_25,o,49,-0.645).
2245atm(d145,d145_26,c,10,0.235).
2246atm(d145,d145_27,o,51,-0.545).
2247atm(d145,d145_28,o,49,-0.645).
2248atm(d145,d145_29,h,3,0.106).
2249atm(d145,d145_30,h,3,0.106).
2250atm(d145,d145_31,c,22,-0.124).
2251atm(d145,d145_32,h,3,0.106).
2252atm(d145,d145_33,h,3,0.106).
2253atm(d145,d145_34,c,22,-0.124).
2254atm(d145,d145_35,c,22,-0.124).
2255atm(d145,d145_36,c,22,-0.124).
2256atm(d145,d145_37,c,22,-0.124).
2257atm(d145,d145_38,c,22,-0.124).
2258atm(d145,d145_39,h,3,0.136).
2259atm(d145,d145_40,h,3,0.136).
2260atm(d145,d145_41,h,3,0.136).
2261atm(d145,d145_42,h,3,0.136).
2262atm(d145,d145_43,h,3,0.136).
2263atm(d146,d146_1,c,22,0.005).
2264atm(d146,d146_2,c,22,-0.125).
2265atm(d146,d146_3,c,22,0.186).
2266atm(d146,d146_4,c,22,0.186).
2267atm(d146,d146_5,c,22,-0.125).
2268atm(d146,d146_6,c,22,-0.125).
2269atm(d146,d146_7,h,3,0.136).
2270atm(d146,d146_8,h,3,0.136).
2271atm(d146,d146_9,h,3,0.136).
2272atm(d146,d146_10,o,50,-0.224).
2273atm(d146,d146_11,c,10,0.095).
2274atm(d146,d146_12,o,50,-0.224).
2275atm(d146,d146_13,h,3,0.055).
2276atm(d146,d146_14,h,3,0.055).
2277atm(d146,d146_15,c,10,-0.095).
2278atm(d146,d146_16,c,10,-0.095).
2279atm(d146,d146_17,h,3,0.055).
2280atm(d146,d146_18,h,3,0.055).
2281atm(d146,d146_19,c,10,-0.144).
2282atm(d146,d146_20,h,3,0.055).
2283atm(d146,d146_21,h,3,0.055).
2284atm(d146,d146_22,h,3,0.055).
2285atm(d146,d146_23,s,76,-0.045).
2286atm(d146,d146_24,h,3,0.055).
2287atm(d146,d146_25,c,10,-0.095).
2288atm(d146,d146_26,o,40,-0.244).
2289atm(d146,d146_27,c,10,-0.095).
2290atm(d146,d146_28,h,3,0.055).
2291atm(d146,d146_29,h,3,0.055).
2292atm(d146,d146_30,c,10,-0.095).
2293atm(d146,d146_31,h,3,0.055).
2294atm(d146,d146_32,h,3,0.055).
2295atm(d146,d146_33,c,10,-0.095).
2296atm(d146,d146_34,h,3,0.055).
2297atm(d146,d146_35,h,3,0.055).
2298atm(d146,d146_36,c,10,-0.095).
2299atm(d146,d146_37,h,3,0.055).
2300atm(d146,d146_38,h,3,0.055).
2301atm(d146,d146_39,c,10,-0.095).
2302atm(d146,d146_40,h,3,0.055).
2303atm(d146,d146_41,h,3,0.055).
2304atm(d146,d146_42,c,10,-0.095).
2305atm(d146,d146_43,h,3,0.055).
2306atm(d146,d146_44,h,3,0.055).
2307atm(d146,d146_45,c,10,-0.144).
2308atm(d146,d146_46,h,3,0.055).
2309atm(d146,d146_47,h,3,0.055).
2310atm(d146,d146_48,h,3,0.055).
2311atm(d146,d146_49,h,3,0.055).
2312atm(d146,d146_50,h,3,0.055).
2313atm(d147,d147_1,p,62,1.133).
2314atm(d147,d147_2,o,40,-0.527).
2315atm(d147,d147_3,o,49,-0.647).
2316atm(d147,d147_4,c,10,-0.048).
2317atm(d147,d147_5,c,10,-0.127).
2318atm(d147,d147_6,h,3,0.093).
2319atm(d147,d147_7,h,3,0.093).
2320atm(d147,d147_8,c,10,-0.078).
2321atm(d147,d147_9,c,10,-0.078).
2322atm(d147,d147_10,h,3,0.072).
2323atm(d147,d147_11,h,3,0.072).
2324atm(d147,d147_12,c,10,-0.078).
2325atm(d147,d147_13,h,3,-0.008).
2326atm(d147,d147_14,c,10,-0.127).
2327atm(d147,d147_15,h,3,0.072).
2328atm(d147,d147_16,h,3,0.072).
2329atm(d147,d147_17,h,3,0.072).
2330atm(d147,d147_18,h,3,0.072).
2331atm(d147,d147_19,h,3,0.072).
2332atm(d147,d147_20,c,10,-0.078).
2333atm(d147,d147_21,h,3,0.072).
2334atm(d147,d147_22,h,3,0.072).
2335atm(d147,d147_23,c,10,-0.127).
2336atm(d147,d147_24,h,3,0.072).
2337atm(d147,d147_25,h,3,0.072).
2338atm(d147,d147_26,h,3,0.072).
2339atm(d147,d147_27,h,3,0.072).
2340atm(d147,d147_28,h,3,0.072).
2341atm(d147,d147_29,o,49,-0.647).
2342atm(d147,d147_30,c,10,-0.048).
2343atm(d147,d147_31,o,49,-0.647).
2344atm(d147,d147_32,c,10,-0.048).
2345atm(d147,d147_33,c,10,-0.127).
2346atm(d147,d147_34,h,3,0.093).
2347atm(d147,d147_35,h,3,0.093).
2348atm(d147,d147_36,c,10,-0.078).
2349atm(d147,d147_37,c,10,-0.078).
2350atm(d147,d147_38,h,3,-0.008).
2351atm(d147,d147_39,c,10,-0.127).
2352atm(d147,d147_40,h,3,0.072).
2353atm(d147,d147_41,h,3,0.072).
2354atm(d147,d147_42,h,3,0.072).
2355atm(d147,d147_43,h,3,0.072).
2356atm(d147,d147_44,h,3,0.072).
2357atm(d147,d147_45,c,10,-0.078).
2358atm(d147,d147_46,h,3,0.072).
2359atm(d147,d147_47,h,3,0.072).
2360atm(d147,d147_48,c,10,-0.078).
2361atm(d147,d147_49,h,3,0.072).
2362atm(d147,d147_50,h,3,0.072).
2363atm(d147,d147_51,c,10,-0.127).
2364atm(d147,d147_52,h,3,0.072).
2365atm(d147,d147_53,h,3,0.072).
2366atm(d147,d147_54,h,3,0.072).
2367atm(d147,d147_55,h,3,0.072).
2368atm(d147,d147_56,h,3,0.072).
2369atm(d147,d147_57,c,10,-0.127).
2370atm(d147,d147_58,h,3,0.093).
2371atm(d147,d147_59,h,3,0.093).
2372atm(d147,d147_60,c,10,-0.078).
2373atm(d147,d147_61,c,10,-0.078).
2374atm(d147,d147_62,h,3,-0.008).
2375atm(d147,d147_63,c,10,-0.127).
2376atm(d147,d147_64,h,3,0.072).
2377atm(d147,d147_65,h,3,0.072).
2378atm(d147,d147_66,h,3,0.072).
2379atm(d147,d147_67,h,3,0.072).
2380atm(d147,d147_68,h,3,0.072).
2381atm(d147,d147_69,c,10,-0.078).
2382atm(d147,d147_70,h,3,0.072).
2383atm(d147,d147_71,h,3,0.072).
2384atm(d147,d147_72,c,10,-0.078).
2385atm(d147,d147_73,h,3,0.072).
2386atm(d147,d147_74,h,3,0.072).
2387atm(d147,d147_75,c,10,-0.127).
2388atm(d147,d147_76,h,3,0.072).
2389atm(d147,d147_77,h,3,0.072).
2390atm(d147,d147_78,h,3,0.072).
2391atm(d147,d147_79,h,3,0.072).
2392atm(d147,d147_80,h,3,0.072).
2393atm(d148,d148_1,c,22,-0.115).
2394atm(d148,d148_2,c,22,-0.115).
2395atm(d148,d148_3,c,22,-0.115).
2396atm(d148,d148_4,c,22,-0.115).
2397atm(d148,d148_5,c,22,-0.115).
2398atm(d148,d148_6,c,22,-0.115).
2399atm(d148,d148_7,h,3,0.145).
2400atm(d148,d148_8,h,3,0.145).
2401atm(d148,d148_9,h,3,0.144).
2402atm(d148,d148_10,h,3,0.144).
2403atm(d148,d148_11,h,3,0.144).
2404atm(d148,d148_12,c,10,0.015).
2405atm(d148,d148_13,c,10,-0.085).
2406atm(d148,d148_14,h,3,0.065).
2407atm(d148,d148_15,h,3,0.065).
2408atm(d148,d148_16,h,3,0.065).
2409atm(d148,d148_17,o,45,-0.636).
2410atm(d148,d148_18,h,3,0.065).
2411atm(d148,d148_19,h,8,0.414).
2412atm(d149,d149_1,c,22,-0.125).
2413atm(d149,d149_2,c,22,-0.125).
2414atm(d149,d149_3,c,22,-0.125).
2415atm(d149,d149_4,c,22,-0.125).
2416atm(d149,d149_5,c,22,-0.125).
2417atm(d149,d149_6,c,22,0.255).
2418atm(d149,d149_7,h,3,0.135).
2419atm(d149,d149_8,h,3,0.135).
2420atm(d149,d149_9,h,3,0.135).
2421atm(d149,d149_10,h,3,0.135).
2422atm(d149,d149_11,o,45,-0.646).
2423atm(d149,d149_12,c,10,0.005).
2424atm(d149,d149_13,c,22,-0.125).
2425atm(d149,d149_14,c,22,-0.125).
2426atm(d149,d149_15,c,22,-0.125).
2427atm(d149,d149_16,c,22,0.254).
2428atm(d149,d149_17,c,22,-0.125).
2429atm(d149,d149_18,c,22,-0.125).
2430atm(d149,d149_19,h,3,0.135).
2431atm(d149,d149_20,h,3,0.135).
2432atm(d149,d149_21,h,3,0.135).
2433atm(d149,d149_22,h,3,0.135).
2434atm(d149,d149_23,c,10,-0.095).
2435atm(d149,d149_24,h,3,0.055).
2436atm(d149,d149_25,h,3,0.055).
2437atm(d149,d149_26,h,3,0.055).
2438atm(d149,d149_27,c,10,-0.095).
2439atm(d149,d149_28,h,3,0.055).
2440atm(d149,d149_29,h,3,0.055).
2441atm(d149,d149_30,h,3,0.055).
2442atm(d149,d149_31,o,45,-0.646).
2443atm(d149,d149_32,h,8,0.404).
2444atm(d149,d149_33,h,8,0.404).
2445atm(d15,d15_1,c,22,-0.13).
2446atm(d15,d15_2,c,22,-0.13).
2447atm(d15,d15_3,c,22,-0.13).
2448atm(d15,d15_4,c,22,-0.13).
2449atm(d15,d15_5,c,22,-0.13).
2450atm(d15,d15_6,c,22,0.2).
2451atm(d15,d15_7,h,3,0.13).
2452atm(d15,d15_8,h,3,0.13).
2453atm(d15,d15_9,h,3,0.13).
2454atm(d15,d15_10,h,3,0.13).
2455atm(d15,d15_11,c,10,0.0).
2456atm(d15,d15_12,c,22,-0.13).
2457atm(d15,d15_13,h,3,0.05).
2458atm(d15,d15_14,h,3,0.05).
2459atm(d15,d15_15,c,22,-0.13).
2460atm(d15,d15_16,c,22,-0.13).
2461atm(d15,d15_17,c,22,0.2).
2462atm(d15,d15_18,c,22,-0.13).
2463atm(d15,d15_19,c,22,-0.13).
2464atm(d15,d15_20,h,3,0.13).
2465atm(d15,d15_21,h,3,0.13).
2466atm(d15,d15_22,h,3,0.13).
2467atm(d15,d15_23,h,3,0.13).
2468atm(d15,d15_24,n,32,-0.78).
2469atm(d15,d15_25,n,32,-0.78).
2470atm(d15,d15_26,h,1,0.33).
2471atm(d15,d15_27,h,1,0.33).
2472atm(d15,d15_28,h,1,0.33).
2473atm(d15,d15_29,h,1,0.33).
2474atm(d150,d150_1,c,22,-0.133).
2475atm(d150,d150_2,c,22,-0.003).
2476atm(d150,d150_3,c,22,-0.133).
2477atm(d150,d150_4,c,22,-0.133).
2478atm(d150,d150_5,c,22,-0.003).
2479atm(d150,d150_6,c,22,-0.133).
2480atm(d150,d150_7,h,3,0.127).
2481atm(d150,d150_8,h,3,0.127).
2482atm(d150,d150_9,h,3,0.127).
2483atm(d150,d150_10,h,3,0.127).
2484atm(d150,d150_11,c,14,0.696).
2485atm(d150,d150_12,o,49,-0.654).
2486atm(d150,d150_13,c,10,0.236).
2487atm(d150,d150_14,h,3,0.097).
2488atm(d150,d150_15,h,3,0.097).
2489atm(d150,d150_16,h,3,0.097).
2490atm(d150,d150_17,c,14,0.696).
2491atm(d150,d150_18,o,49,-0.654).
2492atm(d150,d150_19,c,10,0.236).
2493atm(d150,d150_20,h,3,0.097).
2494atm(d150,d150_21,h,3,0.097).
2495atm(d150,d150_22,h,3,0.097).
2496atm(d150,d150_23,o,51,-0.554).
2497atm(d150,d150_24,o,51,-0.554).
2498atm(d151,d151_1,c,22,0.252).
2499atm(d151,d151_2,c,22,0.252).
2500atm(d151,d151_3,c,22,0.252).
2501atm(d151,d151_4,c,22,-0.128).
2502atm(d151,d151_5,c,22,0.002).
2503atm(d151,d151_6,c,22,-0.128).
2504atm(d151,d151_7,h,3,0.132).
2505atm(d151,d151_8,h,3,0.132).
2506atm(d151,d151_9,o,45,-0.649).
2507atm(d151,d151_10,o,45,-0.648).
2508atm(d151,d151_11,o,45,-0.649).
2509atm(d151,d151_12,c,14,0.701).
2510atm(d151,d151_13,o,49,-0.649).
2511atm(d151,d151_14,c,10,0.252).
2512atm(d151,d151_15,o,51,-0.548).
2513atm(d151,d151_16,h,8,0.402).
2514atm(d151,d151_17,h,8,0.402).
2515atm(d151,d151_18,h,8,0.402).
2516atm(d151,d151_19,c,10,-0.098).
2517atm(d151,d151_20,h,3,0.102).
2518atm(d151,d151_21,h,3,0.102).
2519atm(d151,d151_22,c,10,-0.148).
2520atm(d151,d151_23,h,3,0.052).
2521atm(d151,d151_24,h,3,0.052).
2522atm(d151,d151_25,h,3,0.052).
2523atm(d151,d151_26,h,3,0.052).
2524atm(d151,d151_27,h,3,0.052).
2525atm(d152,d152_1,c,22,-0.114).
2526atm(d152,d152_2,c,22,-0.114).
2527atm(d152,d152_3,c,22,-0.114).
2528atm(d152,d152_4,c,22,-0.114).
2529atm(d152,d152_5,c,22,-0.114).
2530atm(d152,d152_6,c,22,-0.114).
2531atm(d152,d152_7,h,3,0.146).
2532atm(d152,d152_8,h,3,0.146).
2533atm(d152,d152_9,h,3,0.146).
2534atm(d152,d152_10,h,3,0.146).
2535atm(d152,d152_11,h,3,0.146).
2536atm(d152,d152_12,c,10,0.016).
2537atm(d152,d152_13,n,36,-0.283).
2538atm(d152,d152_14,c,14,0.617).
2539atm(d152,d152_15,h,3,0.066).
2540atm(d152,d152_16,o,40,-0.533).
2541atm(d152,d152_17,n,32,-0.383).
2542atm(d152,d152_18,c,193,-0.084).
2543atm(d152,d152_19,c,192,0.597).
2544atm(d152,d152_20,n,33,-0.233).
2545atm(d152,d152_21,c,193,-0.084).
2546atm(d152,d152_22,h,3,0.066).
2547atm(d152,d152_23,o,40,-0.533).
2548atm(d152,d152_24,s,74,-0.084).
2549atm(d152,d152_25,h,3,0.066).
2550atm(d152,d152_26,c,10,-0.084).
2551atm(d152,d152_27,c,10,0.116).
2552atm(d152,d152_28,c,14,0.797).
2553atm(d152,d152_29,h,3,0.066).
2554atm(d152,d152_30,o,45,-0.653).
2555atm(d152,d152_31,o,51,-0.593).
2556atm(d152,d152_32,c,10,-0.084).
2557atm(d152,d152_33,h,3,0.066).
2558atm(d152,d152_34,h,3,0.066).
2559atm(d152,d152_35,h,3,0.066).
2560atm(d152,d152_36,c,10,-0.084).
2561atm(d152,d152_37,h,3,0.066).
2562atm(d152,d152_38,h,3,0.066).
2563atm(d152,d152_39,h,3,0.066).
2564atm(d152,d152_40,h,1,0.166).
2565atm(d152,d152_41,h,1,0.166).
2566atm(d152,d152_42,h,1,0.267).
2567atm(d152,d152_43,h,1,0.267).
2568atm(d153,d153_1,c,22,-0.13).
2569atm(d153,d153_2,c,22,0.0).
2570atm(d153,d153_3,c,22,0.25).
2571atm(d153,d153_4,c,22,-0.13).
2572atm(d153,d153_5,c,22,0.25).
2573atm(d153,d153_6,c,22,-0.13).
2574atm(d153,d153_7,h,3,0.13).
2575atm(d153,d153_8,h,3,0.13).
2576atm(d153,d153_9,h,3,0.13).
2577atm(d153,d153_10,o,45,-0.65).
2578atm(d153,d153_11,h,8,0.4).
2579atm(d153,d153_12,o,45,-0.65).
2580atm(d153,d153_13,c,10,-0.1).
2581atm(d153,d153_14,c,10,-0.1).
2582atm(d153,d153_15,h,3,0.05).
2583atm(d153,d153_16,h,3,0.05).
2584atm(d153,d153_17,c,10,-0.1).
2585atm(d153,d153_18,h,3,0.05).
2586atm(d153,d153_19,h,3,0.05).
2587atm(d153,d153_20,c,10,-0.1).
2588atm(d153,d153_21,h,3,0.05).
2589atm(d153,d153_22,h,3,0.05).
2590atm(d153,d153_23,c,10,-0.1).
2591atm(d153,d153_24,h,3,0.05).
2592atm(d153,d153_25,h,3,0.05).
2593atm(d153,d153_26,h,8,0.4).
2594atm(d153,d153_27,c,10,-0.15).
2595atm(d153,d153_28,h,3,0.05).
2596atm(d153,d153_29,h,3,0.05).
2597atm(d153,d153_30,h,3,0.05).
2598atm(d153,d153_31,h,3,0.05).
2599atm(d153,d153_32,h,3,0.05).
2600atm(d154,d154_1,c,22,-0.119).
2601atm(d154,d154_2,c,22,0.011).
2602atm(d154,d154_3,c,22,-0.119).
2603atm(d154,d154_4,c,22,0.261).
2604atm(d154,d154_5,c,22,0.261).
2605atm(d154,d154_6,c,22,-0.119).
2606atm(d154,d154_7,h,3,0.141).
2607atm(d154,d154_8,h,3,0.141).
2608atm(d154,d154_9,o,45,-0.64).
2609atm(d154,d154_10,c,10,-0.089).
2610atm(d154,d154_11,c,10,-0.089).
2611atm(d154,d154_12,h,3,0.061).
2612atm(d154,d154_13,h,3,0.061).
2613atm(d154,d154_14,h,8,0.41).
2614atm(d154,d154_15,h,3,0.141).
2615atm(d154,d154_16,o,45,-0.64).
2616atm(d154,d154_17,h,8,0.41).
2617atm(d154,d154_18,c,10,-0.089).
2618atm(d154,d154_19,h,3,0.061).
2619atm(d154,d154_20,h,3,0.061).
2620atm(d154,d154_21,h,3,0.061).
2621atm(d154,d154_22,n,36,-0.29).
2622atm(d154,d154_23,h,1,0.161).
2623atm(d154,d154_24,h,1,0.161).
2624atm(d154,d154_25,c,14,0.79).
2625atm(d154,d154_26,o,45,-0.66).
2626atm(d154,d154_27,o,51,-0.6).
2627atm(d154,d154_28,h,1,0.261).
2628atm(d155,d155_1,c,22,-0.105).
2629atm(d155,d155_2,c,22,0.275).
2630atm(d155,d155_3,c,22,0.025).
2631atm(d155,d155_4,c,22,-0.105).
2632atm(d155,d155_5,c,22,-0.105).
2633atm(d155,d155_6,c,22,-0.105).
2634atm(d155,d155_7,h,3,0.155).
2635atm(d155,d155_8,h,3,0.155).
2636atm(d155,d155_9,h,3,0.155).
2637atm(d155,d155_10,c,14,0.575).
2638atm(d155,d155_11,c,16,-0.175).
2639atm(d155,d155_12,c,10,0.125).
2640atm(d155,d155_13,c,10,0.025).
2641atm(d155,d155_14,c,16,-0.075).
2642atm(d155,d155_15,c,10,0.125).
2643atm(d155,d155_16,c,10,-0.125).
2644atm(d155,d155_17,c,10,0.215).
2645atm(d155,d155_18,h,3,0.125).
2646atm(d155,d155_19,c,14,0.605).
2647atm(d155,d155_20,c,16,-0.175).
2648atm(d155,d155_21,c,16,-0.075).
2649atm(d155,d155_22,c,10,0.125).
2650atm(d155,d155_23,h,3,0.075).
2651atm(d155,d155_24,h,3,-0.005).
2652atm(d155,d155_25,o,45,-0.625).
2653atm(d155,d155_26,c,10,-0.075).
2654atm(d155,d155_27,h,3,0.075).
2655atm(d155,d155_28,h,3,0.075).
2656atm(d155,d155_29,h,3,0.075).
2657atm(d155,d155_30,o,45,-0.625).
2658atm(d155,d155_31,h,3,0.085).
2659atm(d155,d155_32,n,36,-0.275).
2660atm(d155,d155_33,h,3,0.075).
2661atm(d155,d155_34,c,10,-0.125).
2662atm(d155,d155_35,h,3,0.075).
2663atm(d155,d155_36,h,3,0.075).
2664atm(d155,d155_37,h,3,0.075).
2665atm(d155,d155_38,c,10,-0.125).
2666atm(d155,d155_39,h,3,0.075).
2667atm(d155,d155_40,h,3,0.075).
2668atm(d155,d155_41,h,3,0.075).
2669atm(d155,d155_42,o,45,-0.625).
2670atm(d155,d155_43,c,10,0.115).
2671atm(d155,d155_44,o,50,-0.205).
2672atm(d155,d155_45,h,3,0.075).
2673atm(d155,d155_46,h,3,0.075).
2674atm(d155,d155_47,n,36,-0.275).
2675atm(d155,d155_48,o,45,-0.625).
2676atm(d155,d155_49,o,45,-0.625).
2677atm(d155,d155_50,o,40,-0.525).
2678atm(d155,d155_51,o,42,-0.555).
2679atm(d155,d155_52,h,8,0.425).
2680atm(d155,d155_53,h,8,0.425).
2681atm(d155,d155_54,h,8,0.425).
2682atm(d155,d155_55,h,8,0.425).
2683atm(d155,d155_56,h,1,0.175).
2684atm(d155,d155_57,h,1,0.175).
2685atm(d155,d155_58,h,8,0.425).
2686atm(d156,d156_1,c,22,-0.139).
2687atm(d156,d156_2,c,22,0.172).
2688atm(d156,d156_3,c,22,-0.139).
2689atm(d156,d156_4,c,22,-0.139).
2690atm(d156,d156_5,c,22,0.172).
2691atm(d156,d156_6,c,22,0.172).
2692atm(d156,d156_7,h,3,0.121).
2693atm(d156,d156_8,h,3,0.121).
2694atm(d156,d156_9,c,10,-0.009).
2695atm(d156,d156_10,o,50,-0.238).
2696atm(d156,d156_11,c,10,-0.109).
2697atm(d156,d156_12,c,10,0.056).
2698atm(d156,d156_13,h,3,0.041).
2699atm(d156,d156_14,h,3,0.041).
2700atm(d156,d156_15,h,3,0.091).
2701atm(d156,d156_16,h,3,0.041).
2702atm(d156,d156_17,c,14,0.542).
2703atm(d156,d156_18,c,22,-0.009).
2704atm(d156,d156_19,o,50,-0.238).
2705atm(d156,d156_20,c,22,0.172).
2706atm(d156,d156_21,c,22,-0.009).
2707atm(d156,d156_22,c,22,0.172).
2708atm(d156,d156_23,c,22,-0.139).
2709atm(d156,d156_24,c,22,-0.139).
2710atm(d156,d156_25,h,3,0.121).
2711atm(d156,d156_26,h,3,0.121).
2712atm(d156,d156_27,c,10,-0.109).
2713atm(d156,d156_28,c,10,0.091).
2714atm(d156,d156_29,o,50,-0.238).
2715atm(d156,d156_30,h,3,0.041).
2716atm(d156,d156_31,h,3,0.041).
2717atm(d156,d156_32,c,16,-0.208).
2718atm(d156,d156_33,c,16,-0.208).
2719atm(d156,d156_34,h,3,0.091).
2720atm(d156,d156_35,h,3,0.091).
2721atm(d156,d156_36,c,10,0.081).
2722atm(d156,d156_37,h,3,0.041).
2723atm(d156,d156_38,h,3,0.041).
2724atm(d156,d156_39,h,3,0.041).
2725atm(d156,d156_40,o,50,-0.238).
2726atm(d156,d156_41,c,10,0.081).
2727atm(d156,d156_42,h,3,0.041).
2728atm(d156,d156_43,h,3,0.041).
2729atm(d156,d156_44,h,3,0.041).
2730atm(d156,d156_45,o,50,-0.238).
2731atm(d156,d156_46,c,10,0.081).
2732atm(d156,d156_47,h,3,0.041).
2733atm(d156,d156_48,h,3,0.041).
2734atm(d156,d156_49,h,3,0.041).
2735atm(d156,d156_50,o,42,-0.588).
2736atm(d156,d156_51,h,3,0.011).
2737atm(d157,d157_1,c,22,-0.122).
2738atm(d157,d157_2,c,22,-0.122).
2739atm(d157,d157_3,c,22,-0.122).
2740atm(d157,d157_4,c,22,-0.121).
2741atm(d157,d157_5,c,22,-0.121).
2742atm(d157,d157_6,c,22,-0.121).
2743atm(d157,d157_7,h,3,0.139).
2744atm(d157,d157_8,h,3,0.139).
2745atm(d157,d157_9,h,3,0.139).
2746atm(d157,d157_10,h,3,0.139).
2747atm(d157,d157_11,h,3,0.139).
2748atm(d157,d157_12,c,22,-0.121).
2749atm(d157,d157_13,c,22,-0.121).
2750atm(d157,d157_14,c,22,-0.121).
2751atm(d157,d157_15,c,22,-0.121).
2752atm(d157,d157_16,c,22,-0.122).
2753atm(d157,d157_17,c,22,-0.122).
2754atm(d157,d157_18,h,3,0.139).
2755atm(d157,d157_19,h,3,0.139).
2756atm(d157,d157_20,h,3,0.139).
2757atm(d157,d157_21,h,3,0.139).
2758atm(d157,d157_22,h,3,0.139).
2759atm(d157,d157_23,c,10,0.008).
2760atm(d157,d157_24,o,50,-0.36).
2761atm(d157,d157_25,h,3,0.058).
2762atm(d157,d157_26,c,10,0.028).
2763atm(d157,d157_27,c,10,0.008).
2764atm(d157,d157_28,h,3,0.068).
2765atm(d157,d157_29,h,3,0.068).
2766atm(d157,d157_30,n,36,-0.291).
2767atm(d157,d157_31,h,3,0.058).
2768atm(d157,d157_32,h,3,0.058).
2769atm(d157,d157_33,c,10,0.008).
2770atm(d157,d157_34,h,3,0.058).
2771atm(d157,d157_35,h,3,0.058).
2772atm(d157,d157_36,h,3,0.058).
2773atm(d157,d157_37,c,10,0.008).
2774atm(d157,d157_38,h,3,0.058).
2775atm(d157,d157_39,h,3,0.058).
2776atm(d157,d157_40,h,3,0.058).
2777atm(d158,d158_1,na,81,0.65).
2778atm(d158,d158_2,f,92,-0.65).
2779atm(d159,d159_1,c,22,0.007).
2780atm(d159,d159_2,c,22,-0.123).
2781atm(d159,d159_3,c,22,-0.122).
2782atm(d159,d159_4,c,22,-0.123).
2783atm(d159,d159_5,c,22,-0.123).
2784atm(d159,d159_6,c,22,-0.123).
2785atm(d159,d159_7,h,3,0.138).
2786atm(d159,d159_8,h,3,0.138).
2787atm(d159,d159_9,h,3,0.138).
2788atm(d159,d159_10,h,3,0.138).
2789atm(d159,d159_11,c,14,0.558).
2790atm(d159,d159_12,c,10,0.007).
2791atm(d159,d159_13,h,3,0.057).
2792atm(d159,d159_14,h,3,0.057).
2793atm(d159,d159_15,h,3,0.057).
2794atm(d159,d159_16,o,42,-0.572).
2795atm(d159,d159_17,s,77,0.358).
2796atm(d159,d159_18,c,14,0.608).
2797atm(d159,d159_19,n,32,-0.392).
2798atm(d159,d159_20,c,10,-0.093).
2799atm(d159,d159_21,c,10,-0.093).
2800atm(d159,d159_22,c,10,-0.093).
2801atm(d159,d159_23,c,10,-0.093).
2802atm(d159,d159_24,c,10,-0.093).
2803atm(d159,d159_25,c,10,-0.093).
2804atm(d159,d159_26,h,3,0.107).
2805atm(d159,d159_27,h,3,0.057).
2806atm(d159,d159_28,h,3,0.057).
2807atm(d159,d159_29,h,3,0.057).
2808atm(d159,d159_30,h,3,0.057).
2809atm(d159,d159_31,h,3,0.057).
2810atm(d159,d159_32,h,3,0.057).
2811atm(d159,d159_33,h,3,0.057).
2812atm(d159,d159_34,h,3,0.057).
2813atm(d159,d159_35,h,3,0.057).
2814atm(d159,d159_36,h,3,0.057).
2815atm(d159,d159_37,h,1,0.308).
2816atm(d159,d159_38,o,40,-0.542).
2817atm(d159,d159_39,o,40,-0.242).
2818atm(d159,d159_40,o,40,-0.242).
2819atm(d159,d159_41,n,32,-0.392).
2820atm(d159,d159_42,h,1,0.308).
2821atm(d16,d16_1,c,22,-0.124).
2822atm(d16,d16_2,c,22,-0.124).
2823atm(d16,d16_3,c,22,0.006).
2824atm(d16,d16_4,c,22,0.006).
2825atm(d16,d16_5,c,22,-0.124).
2826atm(d16,d16_6,c,22,-0.124).
2827atm(d16,d16_7,h,3,0.135).
2828atm(d16,d16_8,h,3,0.135).
2829atm(d16,d16_9,h,3,0.135).
2830atm(d16,d16_10,h,3,0.135).
2831atm(d16,d16_11,c,14,0.555).
2832atm(d16,d16_12,c,22,0.006).
2833atm(d16,d16_13,c,22,0.006).
2834atm(d16,d16_14,c,14,0.555).
2835atm(d16,d16_15,c,22,-0.124).
2836atm(d16,d16_16,c,22,-0.124).
2837atm(d16,d16_17,c,22,-0.175).
2838atm(d16,d16_18,c,22,-0.124).
2839atm(d16,d16_19,h,3,0.135).
2840atm(d16,d16_20,h,3,0.135).
2841atm(d16,d16_21,o,40,-0.545).
2842atm(d16,d16_22,o,40,-0.545).
2843atm(d16,d16_23,n,38,0.805).
2844atm(d16,d16_24,c,10,0.006).
2845atm(d16,d16_25,h,3,0.056).
2846atm(d16,d16_26,h,3,0.056).
2847atm(d16,d16_27,h,3,0.056).
2848atm(d16,d16_28,o,40,-0.395).
2849atm(d16,d16_29,o,40,-0.395).
2850atm(d160,d160_1,c,10,0.158).
2851atm(d160,d160_2,c,16,-0.042).
2852atm(d160,d160_3,c,16,-0.142).
2853atm(d160,d160_4,c,14,0.756).
2854atm(d160,d160_5,o,49,-0.593).
2855atm(d160,d160_6,o,45,-0.593).
2856atm(d160,d160_7,o,45,-0.593).
2857atm(d160,d160_8,c,10,0.248).
2858atm(d160,d160_9,h,3,0.108).
2859atm(d160,d160_10,o,45,-0.593).
2860atm(d160,d160_11,c,10,0.228).
2861atm(d160,d160_12,h,3,0.118).
2862atm(d160,d160_13,o,45,-0.593).
2863atm(d160,d160_14,h,3,0.098).
2864atm(d160,d160_15,h,3,0.098).
2865atm(d160,d160_16,o,51,-0.494).
2866atm(d160,d160_17,h,8,0.458).
2867atm(d160,d160_18,h,8,0.458).
2868atm(d160,d160_19,h,8,0.458).
2869atm(d160,d160_20,h,8,0.457).
2870atm(d161,d161_1,c,22,-0.126).
2871atm(d161,d161_2,c,22,0.254).
2872atm(d161,d161_3,c,22,-0.126).
2873atm(d161,d161_4,c,22,-0.126).
2874atm(d161,d161_5,c,22,-0.176).
2875atm(d161,d161_6,c,22,-0.126).
2876atm(d161,d161_7,h,3,0.134).
2877atm(d161,d161_8,h,3,0.134).
2878atm(d161,d161_9,c,10,0.005).
2879atm(d161,d161_10,h,3,0.055).
2880atm(d161,d161_11,h,3,0.055).
2881atm(d161,d161_12,h,3,0.055).
2882atm(d161,d161_13,c,10,-0.095).
2883atm(d161,d161_14,c,10,-0.095).
2884atm(d161,d161_15,h,3,0.055).
2885atm(d161,d161_16,h,3,0.055).
2886atm(d161,d161_17,h,3,0.055).
2887atm(d161,d161_18,c,10,-0.095).
2888atm(d161,d161_19,h,3,0.055).
2889atm(d161,d161_20,h,3,0.055).
2890atm(d161,d161_21,h,3,0.055).
2891atm(d161,d161_22,c,10,-0.095).
2892atm(d161,d161_23,h,3,0.055).
2893atm(d161,d161_24,h,3,0.055).
2894atm(d161,d161_25,h,3,0.055).
2895atm(d161,d161_26,o,45,-0.646).
2896atm(d161,d161_27,c,10,-0.095).
2897atm(d161,d161_28,c,10,-0.095).
2898atm(d161,d161_29,h,3,0.055).
2899atm(d161,d161_30,h,3,0.055).
2900atm(d161,d161_31,h,3,0.055).
2901atm(d161,d161_32,c,10,-0.095).
2902atm(d161,d161_33,h,3,0.055).
2903atm(d161,d161_34,h,3,0.055).
2904atm(d161,d161_35,h,3,0.055).
2905atm(d161,d161_36,c,10,-0.095).
2906atm(d161,d161_37,h,3,0.055).
2907atm(d161,d161_38,h,3,0.055).
2908atm(d161,d161_39,h,3,0.055).
2909atm(d161,d161_40,h,8,0.404).
2910atm(d162,d162_1,c,22,-0.142).
2911atm(d162,d162_2,c,22,-0.142).
2912atm(d162,d162_3,c,22,0.168).
2913atm(d162,d162_4,c,22,0.169).
2914atm(d162,d162_5,c,22,-0.142).
2915atm(d162,d162_6,c,22,-0.142).
2916atm(d162,d162_7,h,3,0.118).
2917atm(d162,d162_8,h,3,0.118).
2918atm(d162,d162_9,h,3,0.118).
2919atm(d162,d162_10,h,3,0.118).
2920atm(d162,d162_11,c,22,0.169).
2921atm(d162,d162_12,c,22,-0.142).
2922atm(d162,d162_13,c,22,-0.142).
2923atm(d162,d162_14,c,22,-0.142).
2924atm(d162,d162_15,c,22,-0.142).
2925atm(d162,d162_16,c,22,0.168).
2926atm(d162,d162_17,h,3,0.118).
2927atm(d162,d162_18,h,3,0.118).
2928atm(d162,d162_19,h,3,0.118).
2929atm(d162,d162_20,h,3,0.118).
2930atm(d162,d162_21,o,50,-0.241).
2931atm(d162,d162_22,o,50,-0.241).
2932atm(d163,d163_1,c,10,-0.112).
2933atm(d163,d163_2,c,10,-0.112).
2934atm(d163,d163_3,n,32,-0.512).
2935atm(d163,d163_4,h,3,-0.062).
2936atm(d163,d163_5,h,3,-0.062).
2937atm(d163,d163_6,c,14,0.488).
2938atm(d163,d163_7,c,14,0.488).
2939atm(d163,d163_8,o,50,-0.342).
2940atm(d163,d163_9,o,51,-0.661).
2941atm(d163,d163_10,na,81,0.889).
2942atm(d163,d163_11,o,51,-0.661).
2943atm(d163,d163_12,o,50,-0.342).
2944atm(d163,d163_13,na,81,0.889).
2945atm(d163,d163_14,n,32,-0.512).
2946atm(d163,d163_15,h,3,-0.062).
2947atm(d163,d163_16,h,3,-0.062).
2948atm(d163,d163_17,c,14,0.488).
2949atm(d163,d163_18,c,14,0.488).
2950atm(d163,d163_19,o,51,-0.661).
2951atm(d163,d163_20,o,50,-0.342).
2952atm(d163,d163_21,na,81,0.889).
2953atm(d163,d163_22,o,51,-0.661).
2954atm(d163,d163_23,o,50,-0.342).
2955atm(d163,d163_24,na,81,0.889).
2956atm(d164,d164_1,c,10,0.15).
2957atm(d164,d164_2,c,10,-0.09).
2958atm(d164,d164_3,c,10,0.2).
2959atm(d164,d164_4,c,10,0.03).
2960atm(d164,d164_5,o,50,-0.36).
2961atm(d164,d164_6,c,10,0.075).
2962atm(d164,d164_7,o,50,-0.36).
2963atm(d164,d164_8,c,10,0.2).
2964atm(d164,d164_9,c,10,0.2).
2965atm(d164,d164_10,c,10,0.2).
2966atm(d164,d164_11,c,10,0.32).
2967atm(d164,d164_12,o,50,-0.36).
2968atm(d164,d164_13,c,10,0.15).
2969atm(d164,d164_14,h,3,0.06).
2970atm(d164,d164_15,h,3,0.045).
2971atm(d164,d164_16,h,3,0.045).
2972atm(d164,d164_17,h,3,0.07).
2973atm(d164,d164_18,o,45,-0.64).
2974atm(d164,d164_19,c,10,-0.09).
2975atm(d164,d164_20,h,3,0.06).
2976atm(d164,d164_21,h,3,0.06).
2977atm(d164,d164_22,h,3,0.06).
2978atm(d164,d164_23,h,3,0.07).
2979atm(d164,d164_24,o,45,-0.64).
2980atm(d164,d164_25,o,45,-0.64).
2981atm(d164,d164_26,c,10,0.18).
2982atm(d164,d164_27,h,3,0.07).
2983atm(d164,d164_28,o,50,-0.36).
2984atm(d164,d164_29,o,45,-0.64).
2985atm(d164,d164_30,h,3,0.07).
2986atm(d164,d164_31,h,3,0.07).
2987atm(d164,d164_32,h,3,0.045).
2988atm(d164,d164_33,c,10,0.03).
2989atm(d164,d164_34,h,8,0.41).
2990atm(d164,d164_35,h,8,0.41).
2991atm(d164,d164_36,h,8,0.41).
2992atm(d164,d164_37,h,8,0.41).
2993atm(d164,d164_38,o,45,-0.64).
2994atm(d164,d164_39,h,3,0.05).
2995atm(d164,d164_40,h,3,0.05).
2996atm(d164,d164_41,h,8,0.41).
2997atm(d164,d164_42,h,3,0.07).
2998atm(d164,d164_43,h,3,0.07).
2999atm(d164,d164_44,h,3,0.07).
3000atm(d165,d165_1,c,22,-0.117).
3001atm(d165,d165_2,c,22,-0.117).
3002atm(d165,d165_3,c,22,-0.117).
3003atm(d165,d165_4,c,22,-0.117).
3004atm(d165,d165_5,c,22,-0.117).
3005atm(d165,d165_6,c,22,-0.117).
3006atm(d165,d165_7,h,3,0.143).
3007atm(d165,d165_8,h,3,0.143).
3008atm(d165,d165_9,h,3,0.143).
3009atm(d165,d165_10,h,3,0.143).
3010atm(d165,d165_11,h,3,0.143).
3011atm(d165,d165_12,c,10,0.013).
3012atm(d165,d165_13,c,14,0.562).
3013atm(d165,d165_14,c,22,0.013).
3014atm(d165,d165_15,c,22,-0.117).
3015atm(d165,d165_16,c,22,-0.117).
3016atm(d165,d165_17,c,22,-0.117).
3017atm(d165,d165_18,c,22,-0.117).
3018atm(d165,d165_19,c,22,-0.117).
3019atm(d165,d165_20,h,3,0.143).
3020atm(d165,d165_21,h,3,0.143).
3021atm(d165,d165_22,h,3,0.143).
3022atm(d165,d165_23,h,3,0.143).
3023atm(d165,d165_24,h,3,0.143).
3024atm(d165,d165_25,o,45,-0.638).
3025atm(d165,d165_26,h,3,0.063).
3026atm(d165,d165_27,o,42,-0.568).
3027atm(d165,d165_28,h,8,0.412).
3028atm(d166,d166_1,c,10,-0.1).
3029atm(d166,d166_2,c,10,-0.1).
3030atm(d166,d166_3,c,10,-0.1).
3031atm(d166,d166_4,h,3,0.05).
3032atm(d166,d166_5,h,3,0.05).
3033atm(d166,d166_6,c,10,0.0).
3034atm(d166,d166_7,h,3,0.05).
3035atm(d166,d166_8,h,3,0.05).
3036atm(d166,d166_9,n,32,-0.4).
3037atm(d166,d166_10,h,3,0.05).
3038atm(d166,d166_11,h,3,0.05).
3039atm(d166,d166_12,c,14,0.6).
3040atm(d166,d166_13,c,10,-0.1).
3041atm(d166,d166_14,h,3,0.05).
3042atm(d166,d166_15,h,3,0.05).
3043atm(d166,d166_16,h,3,0.05).
3044atm(d166,d166_17,h,3,0.05).
3045atm(d166,d166_18,o,40,-0.55).
3046atm(d166,d166_19,h,1,0.25).
3047atm(d167,d167_1,c,22,-0.123).
3048atm(d167,d167_2,c,22,-0.123).
3049atm(d167,d167_3,c,22,-0.123).
3050atm(d167,d167_4,c,22,-0.123).
3051atm(d167,d167_5,c,22,-0.123).
3052atm(d167,d167_6,c,22,-0.123).
3053atm(d167,d167_7,h,3,0.136).
3054atm(d167,d167_8,h,3,0.136).
3055atm(d167,d167_9,h,3,0.136).
3056atm(d167,d167_10,h,3,0.136).
3057atm(d167,d167_11,h,3,0.137).
3058atm(d167,d167_12,c,10,0.007).
3059atm(d167,d167_13,o,45,-0.644).
3060atm(d167,d167_14,c,10,0.057).
3061atm(d167,d167_15,h,3,0.057).
3062atm(d167,d167_16,c,10,-0.144).
3063atm(d167,d167_17,h,3,0.057).
3064atm(d167,d167_18,h,3,0.057).
3065atm(d167,d167_19,h,3,0.057).
3066atm(d167,d167_20,n,36,-0.294).
3067atm(d167,d167_21,h,3,0.107).
3068atm(d167,d167_22,c,10,0.007).
3069atm(d167,d167_23,h,8,0.406).
3070atm(d167,d167_24,h,3,0.057).
3071atm(d167,d167_25,h,3,0.057).
3072atm(d167,d167_26,h,3,0.057).
3073atm(d167,d167_27,h,1,0.156).
3074atm(d168,d168_1,c,10,-0.082).
3075atm(d168,d168_2,c,10,-0.132).
3076atm(d168,d168_3,c,10,0.208).
3077atm(d168,d168_4,c,10,-0.082).
3078atm(d168,d168_5,c,10,-0.132).
3079atm(d168,d168_6,c,10,-0.082).
3080atm(d168,d168_7,h,3,0.067).
3081atm(d168,d168_8,h,3,0.067).
3082atm(d168,d168_9,h,3,0.067).
3083atm(d168,d168_10,h,3,0.067).
3084atm(d168,d168_11,h,3,0.067).
3085atm(d168,d168_12,h,3,0.067).
3086atm(d168,d168_13,c,10,-0.132).
3087atm(d168,d168_14,h,3,-0.013).
3088atm(d168,d168_15,h,3,0.067).
3089atm(d168,d168_16,h,3,0.067).
3090atm(d168,d168_17,h,3,0.067).
3091atm(d168,d168_18,o,45,-0.632).
3092atm(d168,d168_19,h,3,0.078).
3093atm(d168,d168_20,c,10,-0.132).
3094atm(d168,d168_21,h,3,-0.013).
3095atm(d168,d168_22,c,10,-0.132).
3096atm(d168,d168_23,h,3,0.067).
3097atm(d168,d168_24,h,3,0.067).
3098atm(d168,d168_25,h,3,0.067).
3099atm(d168,d168_26,c,10,-0.132).
3100atm(d168,d168_27,h,3,-0.013).
3101atm(d168,d168_28,h,3,0.067).
3102atm(d168,d168_29,h,3,0.067).
3103atm(d168,d168_30,h,3,0.067).
3104atm(d168,d168_31,h,8,0.418).
3105atm(d169,d169_1,c,22,-0.13).
3106atm(d169,d169_2,c,22,-0.13).
3107atm(d169,d169_3,c,22,-0.13).
3108atm(d169,d169_4,c,22,-0.13).
3109atm(d169,d169_5,c,22,0.25).
3110atm(d169,d169_6,c,22,-0.13).
3111atm(d169,d169_7,h,3,0.13).
3112atm(d169,d169_8,h,3,0.13).
3113atm(d169,d169_9,h,3,0.13).
3114atm(d169,d169_10,h,3,0.13).
3115atm(d169,d169_11,h,3,0.13).
3116atm(d169,d169_12,o,45,-0.65).
3117atm(d169,d169_13,h,8,0.4).
3118atm(d17,d17_1,c,22,-0.107).
3119atm(d17,d17_2,c,22,-0.107).
3120atm(d17,d17_3,c,27,0.023).
3121atm(d17,d17_4,c,27,0.023).
3122atm(d17,d17_5,c,22,-0.107).
3123atm(d17,d17_6,c,22,-0.107).
3124atm(d17,d17_7,h,3,0.153).
3125atm(d17,d17_8,h,3,0.153).
3126atm(d17,d17_9,h,3,0.153).
3127atm(d17,d17_10,c,22,-0.107).
3128atm(d17,d17_11,c,22,-0.107).
3129atm(d17,d17_12,c,22,-0.107).
3130atm(d17,d17_13,c,22,-0.107).
3131atm(d17,d17_14,h,3,0.153).
3132atm(d17,d17_15,h,3,0.153).
3133atm(d17,d17_16,h,3,0.153).
3134atm(d17,d17_17,n,32,-0.758).
3135atm(d17,d17_18,n,32,-0.758).
3136atm(d17,d17_19,h,1,0.352).
3137atm(d17,d17_20,h,1,0.352).
3138atm(d17,d17_21,h,1,0.352).
3139atm(d17,d17_22,h,1,0.352).
3140atm(d170,d170_1,c,22,-0.107).
3141atm(d170,d170_2,c,22,-0.107).
3142atm(d170,d170_3,c,22,0.023).
3143atm(d170,d170_4,c,22,0.023).
3144atm(d170,d170_5,c,22,-0.107).
3145atm(d170,d170_6,c,22,-0.107).
3146atm(d170,d170_7,h,3,0.153).
3147atm(d170,d170_8,h,3,0.153).
3148atm(d170,d170_9,h,3,0.153).
3149atm(d170,d170_10,h,3,0.153).
3150atm(d170,d170_11,c,14,0.724).
3151atm(d170,d170_12,o,49,-0.626).
3152atm(d170,d170_13,c,14,0.724).
3153atm(d170,d170_14,o,51,-0.526).
3154atm(d170,d170_15,o,51,-0.526).
3155atm(d171,d171_1,c,22,-0.166).
3156atm(d171,d171_2,c,22,-0.117).
3157atm(d171,d171_3,c,22,-0.117).
3158atm(d171,d171_4,c,22,-0.117).
3159atm(d171,d171_5,c,22,-0.117).
3160atm(d171,d171_6,c,22,-0.117).
3161atm(d171,d171_7,h,3,0.143).
3162atm(d171,d171_8,h,3,0.144).
3163atm(d171,d171_9,h,3,0.144).
3164atm(d171,d171_10,h,3,0.144).
3165atm(d171,d171_11,c,10,0.013).
3166atm(d171,d171_12,h,3,0.063).
3167atm(d171,d171_13,h,3,0.063).
3168atm(d171,d171_14,h,3,0.063).
3169atm(d171,d171_15,s,77,0.364).
3170atm(d171,d171_16,n,32,-0.386).
3171atm(d171,d171_17,c,14,0.614).
3172atm(d171,d171_18,n,32,-0.386).
3173atm(d171,d171_19,o,40,-0.236).
3174atm(d171,d171_20,o,40,-0.236).
3175atm(d171,d171_21,h,1,0.314).
3176atm(d171,d171_22,o,40,-0.536).
3177atm(d171,d171_23,c,10,0.013).
3178atm(d171,d171_24,c,10,-0.087).
3179atm(d171,d171_25,c,10,-0.087).
3180atm(d171,d171_26,c,10,-0.087).
3181atm(d171,d171_27,c,10,-0.087).
3182atm(d171,d171_28,c,10,0.013).
3183atm(d171,d171_29,n,36,-0.286).
3184atm(d171,d171_30,h,3,0.063).
3185atm(d171,d171_31,h,3,0.063).
3186atm(d171,d171_32,h,3,0.063).
3187atm(d171,d171_33,h,3,0.063).
3188atm(d171,d171_34,h,3,0.063).
3189atm(d171,d171_35,h,3,0.063).
3190atm(d171,d171_36,h,3,0.063).
3191atm(d171,d171_37,h,3,0.063).
3192atm(d171,d171_38,h,3,0.063).
3193atm(d171,d171_39,h,3,0.063).
3194atm(d171,d171_40,h,3,0.063).
3195atm(d171,d171_41,h,3,0.063).
3196atm(d171,d171_42,h,1,0.314).
3197atm(d172,d172_1,sn,113,0.99).
3198atm(d172,d172_2,o,45,-0.66).
3199atm(d172,d172_3,c,22,-0.14).
3200atm(d172,d172_4,c,22,-0.14).
3201atm(d172,d172_5,c,22,-0.14).
3202atm(d172,d172_6,c,22,-0.14).
3203atm(d172,d172_7,c,22,-0.14).
3204atm(d172,d172_8,c,22,-0.14).
3205atm(d172,d172_9,c,22,-0.14).
3206atm(d172,d172_10,c,22,-0.14).
3207atm(d172,d172_11,h,3,0.12).
3208atm(d172,d172_12,h,3,0.12).
3209atm(d172,d172_13,h,3,0.12).
3210atm(d172,d172_14,h,3,0.12).
3211atm(d172,d172_15,h,3,0.12).
3212atm(d172,d172_16,c,22,-0.14).
3213atm(d172,d172_17,c,22,-0.14).
3214atm(d172,d172_18,c,22,-0.14).
3215atm(d172,d172_19,c,22,-0.14).
3216atm(d172,d172_20,c,22,-0.14).
3217atm(d172,d172_21,h,3,0.12).
3218atm(d172,d172_22,h,3,0.12).
3219atm(d172,d172_23,h,3,0.12).
3220atm(d172,d172_24,h,3,0.12).
3221atm(d172,d172_25,h,3,0.12).
3222atm(d172,d172_26,c,22,-0.14).
3223atm(d172,d172_27,c,22,-0.14).
3224atm(d172,d172_28,c,22,-0.14).
3225atm(d172,d172_29,c,22,-0.14).
3226atm(d172,d172_30,c,22,-0.14).
3227atm(d172,d172_31,h,3,0.12).
3228atm(d172,d172_32,h,3,0.12).
3229atm(d172,d172_33,h,3,0.12).
3230atm(d172,d172_34,h,3,0.12).
3231atm(d172,d172_35,h,3,0.12).
3232atm(d172,d172_36,h,1,0.39).
3233atm(d173,d173_1,c,10,0.217).
3234atm(d173,d173_2,c,10,-0.073).
3235atm(d173,d173_3,c,10,-0.123).
3236atm(d173,d173_4,c,10,-0.273).
3237atm(d173,d173_5,c,10,-0.073).
3238atm(d173,d173_6,c,10,-0.073).
3239atm(d173,d173_7,h,3,0.077).
3240atm(d173,d173_8,h,3,0.077).
3241atm(d173,d173_9,h,3,0.077).
3242atm(d173,d173_10,h,3,0.077).
3243atm(d173,d173_11,h,3,0.077).
3244atm(d173,d173_12,h,3,0.077).
3245atm(d173,d173_13,c,10,-0.073).
3246atm(d173,d173_14,c,10,-0.073).
3247atm(d173,d173_15,c,10,-0.123).
3248atm(d173,d173_16,c,10,-0.123).
3249atm(d173,d173_17,h,3,-0.003).
3250atm(d173,d173_18,h,3,0.077).
3251atm(d173,d173_19,h,3,0.077).
3252atm(d173,d173_20,h,3,0.077).
3253atm(d173,d173_21,h,3,0.077).
3254atm(d173,d173_22,c,10,-0.123).
3255atm(d173,d173_23,c,10,-0.273).
3256atm(d173,d173_24,c,10,-0.073).
3257atm(d173,d173_25,c,10,-0.073).
3258atm(d173,d173_26,h,3,-0.003).
3259atm(d173,d173_27,h,3,-0.003).
3260atm(d173,d173_28,h,3,0.077).
3261atm(d173,d173_29,h,3,0.077).
3262atm(d173,d173_30,h,3,0.077).
3263atm(d173,d173_31,h,3,0.077).
3264atm(d173,d173_32,c,10,-0.123).
3265atm(d173,d173_33,c,10,-0.073).
3266atm(d173,d173_34,c,10,-0.073).
3267atm(d173,d173_35,h,3,0.077).
3268atm(d173,d173_36,h,3,0.077).
3269atm(d173,d173_37,h,3,0.077).
3270atm(d173,d173_38,h,3,0.077).
3271atm(d173,d173_39,h,3,-0.003).
3272atm(d173,d173_40,o,45,-0.623).
3273atm(d173,d173_41,h,3,0.087).
3274atm(d173,d173_42,c,10,-0.063).
3275atm(d173,d173_43,h,3,0.077).
3276atm(d173,d173_44,h,3,0.077).
3277atm(d173,d173_45,h,3,0.077).
3278atm(d173,d173_46,c,10,-0.063).
3279atm(d173,d173_47,h,3,0.077).
3280atm(d173,d173_48,h,3,0.077).
3281atm(d173,d173_49,h,3,0.077).
3282atm(d173,d173_50,c,10,-0.123).
3283atm(d173,d173_51,h,3,-0.003).
3284atm(d173,d173_52,c,10,-0.123).
3285atm(d173,d173_53,h,3,0.077).
3286atm(d173,d173_54,h,3,0.077).
3287atm(d173,d173_55,h,3,0.077).
3288atm(d173,d173_56,c,10,-0.073).
3289atm(d173,d173_57,h,3,-0.003).
3290atm(d173,d173_58,c,10,-0.073).
3291atm(d173,d173_59,h,3,0.077).
3292atm(d173,d173_60,h,3,0.077).
3293atm(d173,d173_61,c,14,0.808).
3294atm(d173,d173_62,h,3,0.077).
3295atm(d173,d173_63,h,3,0.077).
3296atm(d173,d173_64,o,45,-0.643).
3297atm(d173,d173_65,o,51,-0.583).
3298atm(d173,d173_66,h,8,0.427).
3299atm(d173,d173_67,h,1,0.277).
3300atm(d174,d174_1,o,45,-0.65).
3301atm(d174,d174_2,c,10,0.17).
3302atm(d174,d174_3,c,10,0.19).
3303atm(d174,d174_4,h,3,0.04).
3304atm(d174,d174_5,h,3,0.04).
3305atm(d174,d174_6,o,45,-0.65).
3306atm(d174,d174_7,c,10,0.19).
3307atm(d174,d174_8,h,3,0.06).
3308atm(d174,d174_9,o,45,-0.65).
3309atm(d174,d174_10,c,10,0.19).
3310atm(d174,d174_11,h,3,0.06).
3311atm(d174,d174_12,o,45,-0.65).
3312atm(d174,d174_13,c,10,0.19).
3313atm(d174,d174_14,h,3,0.06).
3314atm(d174,d174_15,o,45,-0.65).
3315atm(d174,d174_16,c,10,0.17).
3316atm(d174,d174_17,h,3,0.06).
3317atm(d174,d174_18,o,45,-0.65).
3318atm(d174,d174_19,h,3,0.04).
3319atm(d174,d174_20,h,3,0.04).
3320atm(d174,d174_21,h,8,0.4).
3321atm(d174,d174_22,h,8,0.4).
3322atm(d174,d174_23,h,8,0.4).
3323atm(d174,d174_24,h,8,0.4).
3324atm(d174,d174_25,h,8,0.4).
3325atm(d174,d174_26,h,8,0.4).
3326atm(d175,d175_1,c,22,-0.192).
3327atm(d175,d175_2,c,22,-0.192).
3328atm(d175,d175_3,c,22,-0.192).
3329atm(d175,d175_4,c,22,-0.062).
3330atm(d175,d175_5,c,22,-0.192).
3331atm(d175,d175_6,c,22,-0.192).
3332atm(d175,d175_7,h,3,0.068).
3333atm(d175,d175_8,h,3,0.068).
3334atm(d175,d175_9,h,3,0.068).
3335atm(d175,d175_10,h,3,0.068).
3336atm(d175,d175_11,h,3,0.068).
3337atm(d175,d175_12,c,10,-0.162).
3338atm(d175,d175_13,c,10,-0.062).
3339atm(d175,d175_14,h,3,-0.012).
3340atm(d175,d175_15,h,3,-0.012).
3341atm(d175,d175_16,n,32,-0.461).
3342atm(d175,d175_17,h,3,-0.012).
3343atm(d175,d175_18,h,3,-0.012).
3344atm(d175,d175_19,c,14,0.539).
3345atm(d175,d175_20,n,37,-0.112).
3346atm(d175,d175_21,n,32,-0.461).
3347atm(d175,d175_22,c,14,0.539).
3348atm(d175,d175_23,n,37,-0.112).
3349atm(d175,d175_24,n,37,-0.511).
3350atm(d175,d175_25,h,1,0.238).
3351atm(d175,d175_26,h,1,0.239).
3352atm(d175,d175_27,h,1,0.239).
3353atm(d175,d175_28,h,1,0.239).
3354atm(d175,d175_29,h,2,0.289).
3355atm(d175,d175_30,h,2,0.289).
3356atm(d176,d176_1,c,22,-0.13).
3357atm(d176,d176_2,c,22,-0.13).
3358atm(d176,d176_3,c,22,0.0).
3359atm(d176,d176_4,c,22,0.0).
3360atm(d176,d176_5,c,22,-0.13).
3361atm(d176,d176_6,c,22,-0.13).
3362atm(d176,d176_7,h,3,0.13).
3363atm(d176,d176_8,h,3,0.13).
3364atm(d176,d176_9,h,3,0.13).
3365atm(d176,d176_10,h,3,0.13).
3366atm(d176,d176_11,c,14,0.55).
3367atm(d176,d176_12,o,40,-0.55).
3368atm(d176,d176_13,n,32,-0.6).
3369atm(d176,d176_14,c,14,0.55).
3370atm(d176,d176_15,n,32,-0.6).
3371atm(d176,d176_16,o,40,-0.55).
3372atm(d176,d176_17,h,1,0.3).
3373atm(d176,d176_18,h,1,0.3).
3374atm(d176,d176_19,h,1,0.3).
3375atm(d176,d176_20,h,1,0.3).
3376atm(d177,d177_1,c,22,-0.124).
3377atm(d177,d177_2,c,22,-0.124).
3378atm(d177,d177_3,c,22,0.187).
3379atm(d177,d177_4,c,22,0.186).
3380atm(d177,d177_5,c,22,-0.124).
3381atm(d177,d177_6,c,22,0.006).
3382atm(d177,d177_7,h,3,0.136).
3383atm(d177,d177_8,h,3,0.136).
3384atm(d177,d177_9,o,50,-0.223).
3385atm(d177,d177_10,c,10,0.096).
3386atm(d177,d177_11,o,50,-0.223).
3387atm(d177,d177_12,h,3,0.056).
3388atm(d177,d177_13,h,3,0.056).
3389atm(d177,d177_14,c,10,-0.094).
3390atm(d177,d177_15,c,10,-0.094).
3391atm(d177,d177_16,h,3,0.056).
3392atm(d177,d177_17,h,3,0.056).
3393atm(d177,d177_18,c,10,-0.144).
3394atm(d177,d177_19,h,3,0.056).
3395atm(d177,d177_20,h,3,0.056).
3396atm(d177,d177_21,h,3,0.056).
3397atm(d177,d177_22,h,3,0.056).
3398atm(d177,d177_23,h,3,0.056).
3399atm(d177,d177_24,c,10,0.026).
3400atm(d177,d177_25,o,50,-0.363).
3401atm(d177,d177_26,h,3,0.056).
3402atm(d177,d177_27,h,3,0.056).
3403atm(d177,d177_28,c,10,0.026).
3404atm(d177,d177_29,c,10,0.026).
3405atm(d177,d177_30,h,3,0.066).
3406atm(d177,d177_31,h,3,0.066).
3407atm(d177,d177_32,o,50,-0.363).
3408atm(d177,d177_33,h,3,0.066).
3409atm(d177,d177_34,h,3,0.066).
3410atm(d177,d177_35,c,10,0.026).
3411atm(d177,d177_36,c,10,0.026).
3412atm(d177,d177_37,h,3,0.066).
3413atm(d177,d177_38,h,3,0.066).
3414atm(d177,d177_39,o,50,-0.363).
3415atm(d177,d177_40,h,3,0.066).
3416atm(d177,d177_41,h,3,0.066).
3417atm(d177,d177_42,c,10,0.026).
3418atm(d177,d177_43,c,10,-0.094).
3419atm(d177,d177_44,h,3,0.066).
3420atm(d177,d177_45,h,3,0.066).
3421atm(d177,d177_46,c,10,-0.094).
3422atm(d177,d177_47,h,3,0.056).
3423atm(d177,d177_48,h,3,0.056).
3424atm(d177,d177_49,c,10,-0.144).
3425atm(d177,d177_50,h,3,0.056).
3426atm(d177,d177_51,h,3,0.056).
3427atm(d177,d177_52,h,3,0.056).
3428atm(d177,d177_53,h,3,0.056).
3429atm(d177,d177_54,h,3,0.056).
3430atm(d178,d178_1,ti,134,1.034).
3431atm(d178,d178_2,o,40,-0.517).
3432atm(d178,d178_3,o,40,-0.517).
3433atm(d179,d179_1,c,22,-0.12).
3434atm(d179,d179_2,c,22,-0.12).
3435atm(d179,d179_3,c,22,-0.12).
3436atm(d179,d179_4,c,22,-0.17).
3437atm(d179,d179_5,c,22,-0.12).
3438atm(d179,d179_6,c,22,-0.12).
3439atm(d179,d179_7,h,3,0.14).
3440atm(d179,d179_8,h,3,0.14).
3441atm(d179,d179_9,h,3,0.14).
3442atm(d179,d179_10,h,3,0.14).
3443atm(d179,d179_11,c,10,0.01).
3444atm(d179,d179_12,h,3,0.06).
3445atm(d179,d179_13,h,3,0.06).
3446atm(d179,d179_14,h,3,0.06).
3447atm(d179,d179_15,s,77,0.36).
3448atm(d179,d179_16,o,40,-0.24).
3449atm(d179,d179_17,o,40,-0.24).
3450atm(d179,d179_18,n,32,-0.39).
3451atm(d179,d179_19,c,14,0.61).
3452atm(d179,d179_20,o,40,-0.54).
3453atm(d179,d179_21,n,32,-0.39).
3454atm(d179,d179_22,c,10,0.01).
3455atm(d179,d179_23,c,10,-0.09).
3456atm(d179,d179_24,h,3,0.06).
3457atm(d179,d179_25,h,3,0.06).
3458atm(d179,d179_26,c,10,-0.09).
3459atm(d179,d179_27,h,3,0.06).
3460atm(d179,d179_28,h,3,0.06).
3461atm(d179,d179_29,c,10,-0.14).
3462atm(d179,d179_30,h,3,0.06).
3463atm(d179,d179_31,h,3,0.06).
3464atm(d179,d179_32,h,3,0.06).
3465atm(d179,d179_33,h,3,0.06).
3466atm(d179,d179_34,h,3,0.06).
3467atm(d179,d179_35,h,1,0.31).
3468atm(d179,d179_36,h,1,0.31).
3469atm(d18,d18_1,c,21,0.03).
3470atm(d18,d18_2,c,21,0.03).
3471atm(d18,d18_3,c,21,0.03).
3472atm(d18,d18_4,s,72,-0.2).
3473atm(d18,d18_5,n,38,0.831).
3474atm(d18,d18_6,o,40,-0.369).
3475atm(d18,d18_7,o,40,-0.369).
3476atm(d18,d18_8,n,32,-0.369).
3477atm(d18,d18_9,c,14,0.631).
3478atm(d18,d18_10,n,32,-0.369).
3479atm(d18,d18_11,o,40,-0.519).
3480atm(d18,d18_12,c,10,0.03).
3481atm(d18,d18_13,c,10,-0.07).
3482atm(d18,d18_14,h,1,0.331).
3483atm(d18,d18_15,h,1,0.331).
3484atm(d18,d18_16,h,3,0.08).
3485atm(d18,d18_17,h,3,0.08).
3486atm(d18,d18_18,h,3,0.08).
3487atm(d18,d18_19,h,3,0.08).
3488atm(d18,d18_20,h,3,0.08).
3489atm(d18,d18_21,n,34,-0.509).
3490atm(d18,d18_22,h,3,0.13).
3491atm(d180,d180_1,c,22,-0.119).
3492atm(d180,d180_2,c,22,-0.119).
3493atm(d180,d180_3,c,26,-0.029).
3494atm(d180,d180_4,c,26,0.111).
3495atm(d180,d180_5,c,22,-0.119).
3496atm(d180,d180_6,c,22,-0.119).
3497atm(d180,d180_7,c,21,-0.019).
3498atm(d180,d180_8,c,21,-0.029).
3499atm(d180,d180_9,n,34,-0.349).
3500atm(d180,d180_10,h,3,0.141).
3501atm(d180,d180_11,h,3,0.141).
3502atm(d180,d180_12,h,3,0.111).
3503atm(d180,d180_13,h,3,0.141).
3504atm(d180,d180_14,h,1,0.311).
3505atm(d180,d180_15,c,10,-0.089).
3506atm(d180,d180_16,c,10,-0.089).
3507atm(d180,d180_17,n,36,-0.289).
3508atm(d180,d180_18,c,14,0.792).
3509atm(d180,d180_19,o,45,-0.658).
3510atm(d180,d180_20,o,51,-0.598).
3511atm(d180,d180_21,h,1,0.261).
3512atm(d180,d180_22,h,1,0.161).
3513atm(d180,d180_23,h,1,0.161).
3514atm(d180,d180_24,h,3,0.061).
3515atm(d180,d180_25,h,3,0.061).
3516atm(d180,d180_26,h,3,0.061).
3517atm(d180,d180_27,h,3,0.111).
3518atm(d181,d181_1,c,22,-0.118).
3519atm(d181,d181_2,c,22,-0.118).
3520atm(d181,d181_3,c,22,-0.118).
3521atm(d181,d181_4,c,22,-0.118).
3522atm(d181,d181_5,c,22,-0.118).
3523atm(d181,d181_6,c,22,-0.118).
3524atm(d181,d181_7,h,3,0.142).
3525atm(d181,d181_8,h,3,0.142).
3526atm(d181,d181_9,h,3,0.142).
3527atm(d181,d181_10,h,3,0.142).
3528atm(d181,d181_11,h,3,0.142).
3529atm(d181,d181_12,c,10,0.102).
3530atm(d181,d181_13,o,45,-0.639).
3531atm(d181,d181_14,h,3,0.062).
3532atm(d181,d181_15,h,3,0.062).
3533atm(d181,d181_16,h,8,0.411).
3534atm(d182,d182_1,c,22,-0.143).
3535atm(d182,d182_2,c,22,-0.143).
3536atm(d182,d182_3,c,22,-0.143).
3537atm(d182,d182_4,c,22,0.167).
3538atm(d182,d182_5,c,22,-0.143).
3539atm(d182,d182_6,c,22,-0.143).
3540atm(d182,d182_7,h,3,0.117).
3541atm(d182,d182_8,h,3,0.117).
3542atm(d182,d182_9,h,3,0.117).
3543atm(d182,d182_10,h,3,0.117).
3544atm(d182,d182_11,h,3,0.117).
3545atm(d182,d182_12,o,50,-0.243).
3546atm(d182,d182_13,c,10,0.077).
3547atm(d182,d182_14,c,14,0.588).
3548atm(d182,d182_15,h,3,0.037).
3549atm(d182,d182_16,h,3,0.037).
3550atm(d182,d182_17,o,40,-0.562).
3551atm(d182,d182_18,n,32,-0.413).
3552atm(d182,d182_19,c,193,-0.113).
3553atm(d182,d182_20,h,1,0.237).
3554atm(d182,d182_21,c,192,0.568).
3555atm(d182,d182_22,c,193,-0.113).
3556atm(d182,d182_23,h,3,0.037).
3557atm(d182,d182_24,n,33,-0.263).
3558atm(d182,d182_25,o,40,-0.562).
3559atm(d182,d182_26,s,74,-0.113).
3560atm(d182,d182_27,c,10,-0.113).
3561atm(d182,d182_28,c,10,0.087).
3562atm(d182,d182_29,h,3,0.037).
3563atm(d182,d182_30,c,14,0.537).
3564atm(d182,d182_31,h,3,0.037).
3565atm(d182,d182_32,o,50,-0.243).
3566atm(d182,d182_33,o,51,-0.562).
3567atm(d182,d182_34,k,83,0.988).
3568atm(d182,d182_35,c,10,-0.113).
3569atm(d182,d182_36,h,3,0.037).
3570atm(d182,d182_37,h,3,0.037).
3571atm(d182,d182_38,h,3,0.037).
3572atm(d182,d182_39,c,10,-0.113).
3573atm(d182,d182_40,h,3,0.037).
3574atm(d182,d182_41,h,3,0.037).
3575atm(d182,d182_42,h,3,0.037).
3576atm(d183,d183_1,c,22,-0.106).
3577atm(d183,d183_2,c,27,0.024).
3578atm(d183,d183_3,c,22,0.024).
3579atm(d183,d183_4,c,22,0.024).
3580atm(d183,d183_5,c,22,0.275).
3581atm(d183,d183_6,c,22,-0.106).
3582atm(d183,d183_7,h,3,0.154).
3583atm(d183,d183_8,h,3,0.154).
3584atm(d183,d183_9,c,10,-0.076).
3585atm(d183,d183_10,c,10,0.124).
3586atm(d183,d183_11,c,16,-0.176).
3587atm(d183,d183_12,c,14,0.575).
3588atm(d183,d183_13,h,3,0.074).
3589atm(d183,d183_14,h,3,0.074).
3590atm(d183,d183_15,c,10,-0.076).
3591atm(d183,d183_16,c,10,-0.126).
3592atm(d183,d183_17,c,10,0.124).
3593atm(d183,d183_18,c,16,-0.076).
3594atm(d183,d183_19,h,3,0.124).
3595atm(d183,d183_20,h,3,0.074).
3596atm(d183,d183_21,h,3,0.074).
3597atm(d183,d183_22,c,10,0.124).
3598atm(d183,d183_23,c,16,-0.076).
3599atm(d183,d183_24,c,16,-0.175).
3600atm(d183,d183_25,c,14,0.605).
3601atm(d183,d183_26,c,10,0.114).
3602atm(d183,d183_27,h,3,0.074).
3603atm(d183,d183_28,h,3,0.074).
3604atm(d183,d183_29,h,3,0.074).
3605atm(d183,d183_30,o,45,-0.625).
3606atm(d183,d183_31,h,8,0.425).
3607atm(d183,d183_32,o,45,-0.625).
3608atm(d183,d183_33,h,8,0.425).
3609atm(d183,d183_34,o,40,-0.525).
3610atm(d183,d183_35,o,42,-0.555).
3611atm(d183,d183_36,o,45,-0.625).
3612atm(d183,d183_37,h,8,0.425).
3613atm(d183,d183_38,o,45,-0.625).
3614atm(d183,d183_39,h,3,-0.006).
3615atm(d183,d183_40,h,8,0.425).
3616atm(d183,d183_41,n,36,-0.275).
3617atm(d183,d183_42,h,3,0.074).
3618atm(d183,d183_43,c,10,-0.126).
3619atm(d183,d183_44,h,3,0.074).
3620atm(d183,d183_45,h,3,0.074).
3621atm(d183,d183_46,h,3,0.074).
3622atm(d183,d183_47,c,10,-0.126).
3623atm(d183,d183_48,h,3,0.074).
3624atm(d183,d183_49,h,3,0.074).
3625atm(d183,d183_50,h,3,0.074).
3626atm(d183,d183_51,c,14,0.575).
3627atm(d183,d183_52,n,32,-0.575).
3628atm(d183,d183_53,o,40,-0.525).
3629atm(d183,d183_54,h,1,0.325).
3630atm(d183,d183_55,h,1,0.325).
3631atm(d183,d183_56,o,45,-0.625).
3632atm(d183,d183_57,h,8,0.425).
3633atm(d184,d184_1,c,22,-0.136).
3634atm(d184,d184_2,c,22,-0.136).
3635atm(d184,d184_3,c,22,-0.136).
3636atm(d184,d184_4,c,22,-0.007).
3637atm(d184,d184_5,c,22,-0.136).
3638atm(d184,d184_6,c,22,-0.136).
3639atm(d184,d184_7,h,3,0.123).
3640atm(d184,d184_8,h,3,0.123).
3641atm(d184,d184_9,h,3,0.124).
3642atm(d184,d184_10,h,3,0.124).
3643atm(d184,d184_11,h,3,0.123).
3644atm(d184,d184_12,c,10,-0.107).
3645atm(d184,d184_13,c,10,0.043).
3646atm(d184,d184_14,h,3,0.043).
3647atm(d184,d184_15,h,3,0.043).
3648atm(d184,d184_16,c,10,-0.156).
3649atm(d184,d184_17,h,3,0.043).
3650atm(d184,d184_18,h,3,0.043).
3651atm(d184,d184_19,h,3,0.043).
3652atm(d184,d184_20,n,36,-0.306).
3653atm(d184,d184_21,h,3,0.093).
3654atm(d184,d184_22,h,1,0.144).
3655atm(d184,d184_23,h,1,0.144).
3656atm(d185,d185_1,c,10,-0.068).
3657atm(d185,d185_2,c,10,-0.068).
3658atm(d185,d185_3,c,14,0.731).
3659atm(d185,d185_4,h,3,0.082).
3660atm(d185,d185_5,h,3,0.082).
3661atm(d185,d185_6,c,14,0.731).
3662atm(d185,d185_7,h,3,0.082).
3663atm(d185,d185_8,h,3,0.082).
3664atm(d185,d185_9,o,51,-0.518).
3665atm(d185,d185_10,o,51,-0.518).
3666atm(d185,d185_11,o,49,-0.618).
3667atm(d186,d186a_1,c,10,0.191).
3668atm(d186,d186a_2,c,10,0.171).
3669atm(d186,d186a_3,h,3,0.06).
3670atm(d186,d186a_4,o,45,-0.649).
3671atm(d186,d186a_5,h,8,0.401).
3672atm(d186,d186a_6,o,45,-0.649).
3673atm(d186,d186a_7,c,10,-0.1).
3674atm(d186,d186a_8,h,3,0.05).
3675atm(d186,d186a_9,h,3,0.05).
3676atm(d186,d186a_10,h,3,0.05).
3677atm(d186,d186a_11,h,8,0.401).
3678atm(d186,d186a_12,c,10,0.251).
3679atm(d186,d186a_13,o,49,-0.649).
3680atm(d186,d186a_14,c,14,0.701).
3681atm(d186,d186a_15,h,3,0.181).
3682atm(d186,d186a_16,c,10,-0.099).
3683atm(d186,d186a_17,c,10,-0.149).
3684atm(d186,d186a_18,h,3,0.05).
3685atm(d186,d186a_19,h,3,0.05).
3686atm(d186,d186a_20,h,3,0.05).
3687atm(d186,d186a_21,h,3,0.05).
3688atm(d186,d186a_22,h,3,0.05).
3689atm(d186,d186a_23,o,51,-0.549).
3690atm(d186,d186a_24,c,10,-0.1).
3691atm(d186,d186a_25,c,10,0.141).
3692atm(d186,d186a_26,c,10,-0.149).
3693atm(d186,d186a_27,h,3,0.05).
3694atm(d186,d186a_28,h,3,0.05).
3695atm(d186,d186a_29,h,3,0.05).
3696atm(d186,d186a_30,h,3,0.08).
3697atm(d186,d186a_31,c,10,-0.149).
3698atm(d186,d186a_32,c,10,0.141).
3699atm(d186,d186a_33,h,3,0.035).
3700atm(d186,d186a_34,o,50,-0.369).
3701atm(d186,d186a_35,c,10,0.311).
3702atm(d186,d186a_36,o,50,-0.369).
3703atm(d186,d186a_37,c,10,0.141).
3704atm(d186,d186a_38,c,10,0.191).
3705atm(d186,d186a_39,c,10,-0.099).
3706atm(d186,d186a_40,c,10,-0.1).
3707atm(d186,d186a_41,h,3,0.05).
3708atm(d186,d186a_42,h,3,0.05).
3709atm(d186,d186a_43,c,10,-0.149).
3710atm(d186,d186a_44,h,3,0.035).
3711atm(d186,d186a_45,h,3,0.05).
3712atm(d186,d186a_46,h,3,0.05).
3713atm(d186,d186a_47,h,3,0.05).
3714atm(d186,d186a_48,o,45,-0.649).
3715atm(d186,d186a_49,h,3,0.06).
3716atm(d186,d186a_50,h,8,0.401).
3717atm(d186,d186a_51,o,50,-0.369).
3718atm(d186,d186a_52,c,10,0.02).
3719atm(d186,d186a_53,h,3,0.06).
3720atm(d186,d186a_54,h,3,0.06).
3721atm(d186,d186a_55,h,3,0.06).
3722atm(d186,d186a_56,c,10,-0.1).
3723atm(d186,d186a_57,h,3,0.05).
3724atm(d186,d186a_58,h,3,0.05).
3725atm(d186,d186a_59,h,3,0.05).
3726atm(d186,d186a_60,h,3,0.05).
3727atm(d186,d186a_61,c,10,-0.149).
3728atm(d186,d186a_62,h,3,0.05).
3729atm(d186,d186a_63,h,3,0.05).
3730atm(d186,d186a_64,h,3,0.05).
3731atm(d186,d186a_65,h,3,-0.03).
3732atm(d186,d186a_66,c,10,0.171).
3733atm(d186,d186a_67,c,10,-0.1).
3734atm(d186,d186a_68,c,14,0.581).
3735atm(d186,d186a_69,o,42,-0.579).
3736atm(d186,d186a_70,c,10,-0.099).
3737atm(d186,d186a_71,c,10,-0.099).
3738atm(d186,d186a_72,h,3,0.05).
3739atm(d186,d186a_73,h,3,0.05).
3740atm(d186,d186a_74,c,10,-0.149).
3741atm(d186,d186a_75,h,3,0.05).
3742atm(d186,d186a_76,h,3,0.05).
3743atm(d186,d186a_77,h,3,0.05).
3744atm(d186,d186a_78,h,3,0.08).
3745atm(d186,d186a_79,c,10,-0.149).
3746atm(d186,d186a_80,h,3,0.05).
3747atm(d186,d186a_81,h,3,0.05).
3748atm(d186,d186a_82,h,3,0.05).
3749atm(d186,d186a_83,h,3,0.08).
3750atm(d186,d186a_84,c,10,-0.1).
3751atm(d186,d186a_85,h,3,0.05).
3752atm(d186,d186a_86,h,3,0.05).
3753atm(d186,d186a_87,h,3,0.05).
3754atm(d186,d186a_88,o,45,-0.649).
3755atm(d186,d186a_89,h,8,0.401).
3756atm(d186,d186a_90,h,3,0.035).
3757atm(d186,d186a_91,o,50,-0.369).
3758atm(d186,d186a_92,c,10,0.311).
3759atm(d186,d186a_93,o,50,-0.369).
3760atm(d186,d186a_94,c,10,0.141).
3761atm(d186,d186a_95,c,10,-0.1).
3762atm(d186,d186a_96,c,10,0.05).
3763atm(d186,d186a_97,c,10,0.191).
3764atm(d186,d186a_98,h,3,0.05).
3765atm(d186,d186a_99,h,3,0.05).
3766atm(d186,d186a_100,h,3,0.05).
3767atm(d186,d186a_101,o,45,-0.649).
3768atm(d186,d186a_102,h,3,0.06).
3769atm(d186,d186a_103,h,8,0.401).
3770atm(d186,d186a_104,n,36,-0.299).
3771atm(d186,d186a_105,h,3,0.101).
3772atm(d186,d186a_106,c,10,0.101).
3773atm(d186,d186a_107,h,3,0.05).
3774atm(d186,d186a_108,h,3,0.05).
3775atm(d186,d186a_109,h,3,0.05).
3776atm(d186,d186a_110,c,10,0.101).
3777atm(d186,d186a_111,h,3,0.05).
3778atm(d186,d186a_112,h,3,0.05).
3779atm(d186,d186a_113,h,3,0.05).
3780atm(d186,d186a_114,c,10,0.101).
3781atm(d186,d186a_115,h,3,0.05).
3782atm(d186,d186a_116,h,3,0.05).
3783atm(d186,d186a_117,h,3,0.05).
3784atm(d186,d186a_118,c,10,-0.149).
3785atm(d186,d186a_119,h,3,0.035).
3786atm(d186,d186a_120,h,3,0.05).
3787atm(d186,d186a_121,h,3,0.05).
3788atm(d186,d186a_122,h,3,0.05).
3789atm(d186,d186b_1,c,10,-0.145).
3790atm(d186,d186b_2,c,10,-0.095).
3791atm(d186,d186b_3,h,3,0.054).
3792atm(d186,d186b_4,h,3,0.055).
3793atm(d186,d186b_5,h,3,0.055).
3794atm(d186,d186b_6,c,10,-0.095).
3795atm(d186,d186b_7,h,3,0.054).
3796atm(d186,d186b_8,h,3,0.054).
3797atm(d186,d186b_9,c,10,-0.095).
3798atm(d186,d186b_10,h,3,0.054).
3799atm(d186,d186b_11,h,3,0.054).
3800atm(d186,d186b_12,c,10,-0.095).
3801atm(d186,d186b_13,h,3,0.054).
3802atm(d186,d186b_14,h,3,0.054).
3803atm(d186,d186b_15,c,10,-0.095).
3804atm(d186,d186b_16,h,3,0.054).
3805atm(d186,d186b_17,h,3,0.054).
3806atm(d186,d186b_18,c,10,-0.095).
3807atm(d186,d186b_19,h,3,0.054).
3808atm(d186,d186b_20,h,3,0.054).
3809atm(d186,d186b_21,c,10,-0.095).
3810atm(d186,d186b_22,h,3,0.054).
3811atm(d186,d186b_23,h,3,0.055).
3812atm(d186,d186b_24,c,10,-0.095).
3813atm(d186,d186b_25,h,3,0.055).
3814atm(d186,d186b_26,h,3,0.055).
3815atm(d186,d186b_27,c,10,-0.095).
3816atm(d186,d186b_28,h,3,0.054).
3817atm(d186,d186b_29,h,3,0.054).
3818atm(d186,d186b_30,c,10,-0.095).
3819atm(d186,d186b_31,h,3,0.054).
3820atm(d186,d186b_32,h,3,0.054).
3821atm(d186,d186b_33,c,10,-0.095).
3822atm(d186,d186b_34,h,3,0.054).
3823atm(d186,d186b_35,h,3,0.054).
3824atm(d186,d186b_36,c,10,-0.095).
3825atm(d186,d186b_37,h,3,0.054).
3826atm(d186,d186b_38,h,3,0.054).
3827atm(d186,d186b_39,c,10,-0.095).
3828atm(d186,d186b_40,h,3,0.054).
3829atm(d186,d186b_41,h,3,0.054).
3830atm(d186,d186b_42,c,10,-0.095).
3831atm(d186,d186b_43,h,3,0.054).
3832atm(d186,d186b_44,h,3,0.054).
3833atm(d186,d186b_45,c,10,-0.095).
3834atm(d186,d186b_46,h,3,0.054).
3835atm(d186,d186b_47,h,3,0.054).
3836atm(d186,d186b_48,c,10,-0.095).
3837atm(d186,d186b_49,h,3,0.054).
3838atm(d186,d186b_50,h,3,0.054).
3839atm(d186,d186b_51,c,14,0.785).
3840atm(d186,d186b_52,h,3,0.054).
3841atm(d186,d186b_53,h,3,0.054).
3842atm(d186,d186b_54,o,45,-0.665).
3843atm(d186,d186b_55,o,51,-0.605).
3844atm(d186,d186b_56,h,1,0.255).
3845atm(d187,d187_1,c,22,-0.121).
3846atm(d187,d187_2,c,22,-0.121).
3847atm(d187,d187_3,c,22,-0.121).
3848atm(d187,d187_4,c,22,-0.121).
3849atm(d187,d187_5,c,22,-0.121).
3850atm(d187,d187_6,c,22,0.259).
3851atm(d187,d187_7,h,3,0.139).
3852atm(d187,d187_8,h,3,0.139).
3853atm(d187,d187_9,h,3,0.139).
3854atm(d187,d187_10,h,3,0.139).
3855atm(d187,d187_11,o,45,-0.64).
3856atm(d187,d187_12,c,10,0.009).
3857atm(d187,d187_13,o,45,-0.64).
3858atm(d187,d187_14,c,10,0.009).
3859atm(d187,d187_15,h,3,0.059).
3860atm(d187,d187_16,n,36,-0.29).
3861atm(d187,d187_17,h,3,0.059).
3862atm(d187,d187_18,h,3,0.059).
3863atm(d187,d187_19,c,10,0.009).
3864atm(d187,d187_20,h,3,0.059).
3865atm(d187,d187_21,h,3,0.059).
3866atm(d187,d187_22,h,3,0.059).
3867atm(d187,d187_23,h,8,0.41).
3868atm(d187,d187_24,h,1,0.159).
3869atm(d187,d187_25,h,8,0.41).
3870atm(d188,d188a_1,c,22,-0.127).
3871atm(d188,d188a_2,c,22,-0.127).
3872atm(d188,d188a_3,c,22,-0.176).
3873atm(d188,d188a_4,c,22,-0.127).
3874atm(d188,d188a_5,c,22,-0.176).
3875atm(d188,d188a_6,c,22,-0.127).
3876atm(d188,d188a_7,h,3,0.134).
3877atm(d188,d188a_8,h,3,0.134).
3878atm(d188,d188a_9,h,3,0.134).
3879atm(d188,d188a_10,h,3,0.134).
3880atm(d188,d188a_11,c,10,0.003).
3881atm(d188,d188a_12,h,3,0.053).
3882atm(d188,d188a_13,h,3,0.053).
3883atm(d188,d188a_14,h,3,0.053).
3884atm(d188,d188a_15,c,10,0.003).
3885atm(d188,d188a_16,h,3,0.053).
3886atm(d188,d188a_17,h,3,0.053).
3887atm(d188,d188a_18,h,3,0.053).
3888atm(d188,d188b_1,c,22,-0.127).
3889atm(d188,d188b_2,c,22,-0.176).
3890atm(d188,d188b_3,c,22,-0.127).
3891atm(d188,d188b_4,c,22,-0.127).
3892atm(d188,d188b_5,c,22,-0.176).
3893atm(d188,d188b_6,c,22,-0.127).
3894atm(d188,d188b_7,h,3,0.134).
3895atm(d188,d188b_8,h,3,0.134).
3896atm(d188,d188b_9,h,3,0.134).
3897atm(d188,d188b_10,c,10,0.003).
3898atm(d188,d188b_11,h,3,0.053).
3899atm(d188,d188b_12,h,3,0.053).
3900atm(d188,d188b_13,h,3,0.053).
3901atm(d188,d188b_14,h,3,0.134).
3902atm(d188,d188b_15,c,10,0.003).
3903atm(d188,d188b_16,h,3,0.053).
3904atm(d188,d188b_17,h,3,0.053).
3905atm(d188,d188b_18,h,3,0.053).
3906atm(d188,d188c_1,c,22,-0.127).
3907atm(d188,d188c_2,c,22,-0.127).
3908atm(d188,d188c_3,c,22,-0.127).
3909atm(d188,d188c_4,c,22,-0.176).
3910atm(d188,d188c_5,c,22,-0.176).
3911atm(d188,d188c_6,c,22,-0.127).
3912atm(d188,d188c_7,h,3,0.134).
3913atm(d188,d188c_8,h,3,0.134).
3914atm(d188,d188c_9,h,3,0.134).
3915atm(d188,d188c_10,h,3,0.134).
3916atm(d188,d188c_11,c,10,0.003).
3917atm(d188,d188c_12,h,3,0.053).
3918atm(d188,d188c_13,h,3,0.053).
3919atm(d188,d188c_14,h,3,0.053).
3920atm(d188,d188c_15,c,10,0.003).
3921atm(d188,d188c_16,h,3,0.053).
3922atm(d188,d188c_17,h,3,0.053).
3923atm(d188,d188c_18,h,3,0.053).
3924atm(d188,d188d_1,c,22,-0.132).
3925atm(d188,d188d_2,c,22,-0.132).
3926atm(d188,d188d_3,c,22,-0.132).
3927atm(d188,d188d_4,c,22,-0.133).
3928atm(d188,d188d_5,c,22,-0.003).
3929atm(d188,d188d_6,c,22,-0.132).
3930atm(d188,d188d_7,h,3,0.127).
3931atm(d188,d188d_8,h,3,0.127).
3932atm(d188,d188d_9,h,3,0.127).
3933atm(d188,d188d_10,h,3,0.127).
3934atm(d188,d188d_11,h,3,0.127).
3935atm(d188,d188d_12,c,10,-0.103).
3936atm(d188,d188d_13,c,10,-0.103).
3937atm(d188,d188d_14,h,3,0.047).
3938atm(d188,d188d_15,h,3,0.047).
3939atm(d188,d188d_16,h,3,0.047).
3940atm(d188,d188d_17,h,3,0.047).
3941atm(d188,d188d_18,h,3,0.047).
3942atm(d189,d189_1,c,22,-0.12).
3943atm(d189,d189_2,c,22,-0.12).
3944atm(d189,d189_3,c,22,-0.12).
3945atm(d189,d189_4,c,22,-0.12).
3946atm(d189,d189_5,c,22,-0.121).
3947atm(d189,d189_6,c,22,-0.12).
3948atm(d189,d189_7,h,3,0.139).
3949atm(d189,d189_8,h,3,0.139).
3950atm(d189,d189_9,h,3,0.139).
3951atm(d189,d189_10,h,3,0.139).
3952atm(d189,d189_11,h,3,0.139).
3953atm(d189,d189_12,c,10,0.01).
3954atm(d189,d189_13,c,10,0.01).
3955atm(d189,d189_14,n,36,-0.291).
3956atm(d189,d189_15,h,3,0.06).
3957atm(d189,d189_16,h,3,0.06).
3958atm(d189,d189_17,c,10,0.01).
3959atm(d189,d189_18,h,3,0.06).
3960atm(d189,d189_19,h,3,0.06).
3961atm(d189,d189_20,h,3,0.06).
3962atm(d189,d189_21,o,45,-0.641).
3963atm(d189,d189_22,h,3,0.06).
3964atm(d189,d189_23,h,8,0.409).
3965atm(d189,d189_24,h,1,0.159).
3966atm(d19,d19_1,c,22,-0.125).
3967atm(d19,d19_2,c,22,-0.125).
3968atm(d19,d19_3,c,27,0.005).
3969atm(d19,d19_4,c,27,0.005).
3970atm(d19,d19_5,c,22,0.005).
3971atm(d19,d19_6,c,22,-0.124).
3972atm(d19,d19_7,h,3,0.136).
3973atm(d19,d19_8,h,3,0.136).
3974atm(d19,d19_9,h,3,0.136).
3975atm(d19,d19_10,c,22,-0.125).
3976atm(d19,d19_11,c,22,-0.124).
3977atm(d19,d19_12,c,22,-0.125).
3978atm(d19,d19_13,c,22,0.005).
3979atm(d19,d19_14,h,3,0.136).
3980atm(d19,d19_15,h,3,0.136).
3981atm(d19,d19_16,c,10,-0.095).
3982atm(d19,d19_17,c,10,-0.095).
3983atm(d19,d19_18,h,3,0.055).
3984atm(d19,d19_19,h,3,0.055).
3985atm(d19,d19_20,h,3,0.055).
3986atm(d19,d19_21,h,3,0.055).
3987atm(d19,d19_22,n,38,0.806).
3988atm(d19,d19_23,o,40,-0.394).
3989atm(d19,d19_24,o,40,-0.394).
3990atm(d190,d190_1,c,22,-0.128).
3991atm(d190,d190_2,c,22,-0.128).
3992atm(d190,d190_3,c,22,-0.128).
3993atm(d190,d190_4,c,22,-0.128).
3994atm(d190,d190_5,c,22,-0.178).
3995atm(d190,d190_6,c,22,-0.128).
3996atm(d190,d190_7,h,3,0.132).
3997atm(d190,d190_8,h,3,0.132).
3998atm(d190,d190_9,h,3,0.132).
3999atm(d190,d190_10,h,3,0.132).
4000atm(d190,d190_11,h,3,0.132).
4001atm(d190,d190_12,c,10,0.002).
4002atm(d190,d190_13,h,3,0.052).
4003atm(d190,d190_14,h,3,0.052).
4004atm(d190,d190_15,h,3,0.052).
4005atm(d191,d191_1,c,10,-0.126).
4006atm(d191,d191_2,c,10,-0.126).
4007atm(d191,d191_3,h,3,0.075).
4008atm(d191,d191_4,h,3,0.075).
4009atm(d191,d191_5,h,3,0.075).
4010atm(d191,d191_6,c,10,-0.126).
4011atm(d191,d191_7,h,3,0.075).
4012atm(d191,d191_8,h,3,0.075).
4013atm(d191,d191_9,h,3,0.075).
4014atm(d191,d191_10,c,10,-0.075).
4015atm(d191,d191_11,h,3,-0.005).
4016atm(d191,d191_12,c,14,0.724).
4017atm(d191,d191_13,h,3,0.075).
4018atm(d191,d191_14,h,3,0.075).
4019atm(d191,d191_15,o,51,-0.526).
4020atm(d191,d191_16,o,49,-0.626).
4021atm(d191,d191_17,c,10,0.115).
4022atm(d191,d191_18,c,16,-0.176).
4023atm(d191,d191_19,h,3,0.075).
4024atm(d191,d191_20,h,3,0.075).
4025atm(d191,d191_21,c,16,-0.176).
4026atm(d191,d191_22,h,3,0.124).
4027atm(d191,d191_23,h,3,0.125).
4028atm(d191,d191_24,h,3,0.124).
4029atm(d192,d192_1,c,22,-0.12).
4030atm(d192,d192_2,c,22,-0.12).
4031atm(d192,d192_3,c,22,-0.12).
4032atm(d192,d192_4,c,22,0.01).
4033atm(d192,d192_5,c,22,0.209).
4034atm(d192,d192_6,c,22,-0.12).
4035atm(d192,d192_7,h,3,0.14).
4036atm(d192,d192_8,h,3,0.14).
4037atm(d192,d192_9,h,3,0.14).
4038atm(d192,d192_10,h,3,0.139).
4039atm(d192,d192_11,n,32,-0.771).
4040atm(d192,d192_12,c,14,0.709).
4041atm(d192,d192_13,o,49,-0.641).
4042atm(d192,d192_14,c,10,0.1).
4043atm(d192,d192_15,c,16,-0.191).
4044atm(d192,d192_16,h,3,0.06).
4045atm(d192,d192_17,h,3,0.06).
4046atm(d192,d192_18,c,16,-0.191).
4047atm(d192,d192_19,h,1,0.339).
4048atm(d192,d192_20,h,1,0.339).
4049atm(d192,d192_21,o,51,-0.541).
4050atm(d192,d192_22,h,3,0.11).
4051atm(d192,d192_23,c,22,0.11).
4052atm(d192,d192_24,h,3,0.11).
4053atm(d192,d192_25,c,22,-0.12).
4054atm(d192,d192_26,c,22,-0.12).
4055atm(d192,d192_27,c,22,-0.12).
4056atm(d192,d192_28,c,22,-0.12).
4057atm(d192,d192_29,c,22,-0.12).
4058atm(d192,d192_30,h,3,0.14).
4059atm(d192,d192_31,h,3,0.14).
4060atm(d192,d192_32,h,3,0.14).
4061atm(d192,d192_33,h,3,0.14).
4062atm(d192,d192_34,h,3,0.14).
4063atm(d193,d193_1,c,10,0.033).
4064atm(d193,d193_2,o,50,-0.358).
4065atm(d193,d193_3,c,10,0.033).
4066atm(d193,d193_4,c,10,0.033).
4067atm(d193,d193_5,o,50,-0.358).
4068atm(d193,d193_6,c,10,0.033).
4069atm(d193,d193_7,h,3,0.073).
4070atm(d193,d193_8,h,3,0.073).
4071atm(d193,d193_9,h,3,0.073).
4072atm(d193,d193_10,h,3,0.073).
4073atm(d193,d193_11,h,3,0.073).
4074atm(d193,d193_12,h,3,0.073).
4075atm(d193,d193_13,h,3,0.073).
4076atm(d193,d193_14,h,3,0.073).
4077atm(d194,d194_1,s,70,-0.65).
4078atm(d194,d194_2,se,102,0.65).
4079atm(d195,d195_1,c,22,-0.14).
4080atm(d195,d195_2,c,22,-0.14).
4081atm(d195,d195_3,c,26,0.091).
4082atm(d195,d195_4,c,26,0.091).
4083atm(d195,d195_5,c,22,-0.14).
4084atm(d195,d195_6,c,22,-0.14).
4085atm(d195,d195_7,c,21,-0.109).
4086atm(d195,d195_8,c,21,-0.14).
4087atm(d195,d195_9,o,52,-0.039).
4088atm(d195,d195_10,h,3,0.121).
4089atm(d195,d195_11,h,3,0.121).
4090atm(d195,d195_12,h,3,0.091).
4091atm(d195,d195_13,h,3,0.121).
4092atm(d195,d195_14,h,3,0.091).
4093atm(d195,d195_15,h,3,0.121).
4094atm(d196,d196_1,c,21,0.184).
4095atm(d196,d196_2,c,21,-0.145).
4096atm(d196,d196_3,c,21,-0.146).
4097atm(d196,d196_4,c,21,-0.145).
4098atm(d196,d196_5,o,52,-0.045).
4099atm(d196,d196_6,c,14,0.214).
4100atm(d196,d196_7,o,41,-0.446).
4101atm(d196,d196_8,h,3,0.184).
4102atm(d196,d196_9,h,3,0.115).
4103atm(d196,d196_10,h,3,0.115).
4104atm(d196,d196_11,h,3,0.115).
4105atm(d197,d197_1,c,22,-0.122).
4106atm(d197,d197_2,c,22,0.208).
4107atm(d197,d197_3,c,22,-0.122).
4108atm(d197,d197_4,c,22,-0.122).
4109atm(d197,d197_5,c,22,-0.122).
4110atm(d197,d197_6,c,22,-0.122).
4111atm(d197,d197_7,h,3,0.138).
4112atm(d197,d197_8,h,3,0.138).
4113atm(d197,d197_9,h,3,0.138).
4114atm(d197,d197_10,h,3,0.138).
4115atm(d197,d197_11,h,3,0.138).
4116atm(d197,d197_12,c,22,-0.122).
4117atm(d197,d197_13,c,22,-0.122).
4118atm(d197,d197_14,c,22,-0.122).
4119atm(d197,d197_15,c,22,0.208).
4120atm(d197,d197_16,c,22,-0.122).
4121atm(d197,d197_17,c,22,-0.122).
4122atm(d197,d197_18,h,3,0.138).
4123atm(d197,d197_19,h,3,0.138).
4124atm(d197,d197_20,h,3,0.138).
4125atm(d197,d197_21,h,3,0.138).
4126atm(d197,d197_22,h,3,0.138).
4127atm(d197,d197_23,n,32,-0.391).
4128atm(d197,d197_24,n,32,-0.391).
4129atm(d197,d197_25,c,14,0.609).
4130atm(d197,d197_26,c,10,-0.092).
4131atm(d197,d197_27,c,14,0.609).
4132atm(d197,d197_28,c,10,-0.092).
4133atm(d197,d197_29,h,3,0.058).
4134atm(d197,d197_30,c,10,-0.092).
4135atm(d197,d197_31,h,3,0.058).
4136atm(d197,d197_32,h,3,0.058).
4137atm(d197,d197_33,c,10,-0.092).
4138atm(d197,d197_34,h,3,0.058).
4139atm(d197,d197_35,h,3,0.058).
4140atm(d197,d197_36,c,10,-0.142).
4141atm(d197,d197_37,h,3,0.058).
4142atm(d197,d197_38,h,3,0.058).
4143atm(d197,d197_39,o,40,-0.541).
4144atm(d197,d197_40,o,40,-0.541).
4145atm(d197,d197_41,h,3,0.058).
4146atm(d197,d197_42,h,3,0.058).
4147atm(d197,d197_43,h,3,0.058).
4148atm(d198,d198_1,c,10,-0.11).
4149atm(d198,d198_2,c,10,-0.01).
4150atm(d198,d198_3,h,3,0.04).
4151atm(d198,d198_4,h,3,0.04).
4152atm(d198,d198_5,h,3,0.04).
4153atm(d198,d198_6,n,36,-0.41).
4154atm(d198,d198_7,h,3,0.04).
4155atm(d198,d198_8,h,3,0.04).
4156atm(d198,d198_9,c,14,0.54).
4157atm(d198,d198_10,n,36,-0.41).
4158atm(d198,d198_11,h,1,0.14).
4159atm(d198,d198_12,c,10,-0.01).
4160atm(d198,d198_13,h,1,0.14).
4161atm(d198,d198_14,c,10,-0.11).
4162atm(d198,d198_15,h,3,0.04).
4163atm(d198,d198_16,h,3,0.04).
4164atm(d198,d198_17,h,3,0.04).
4165atm(d198,d198_18,h,3,0.04).
4166atm(d198,d198_19,h,3,0.04).
4167atm(d198,d198_20,s,75,-0.16).
4168atm(d199,d199_1,c,22,-0.092).
4169atm(d199,d199_2,c,22,-0.092).
4170atm(d199,d199_3,c,22,-0.092).
4171atm(d199,d199_4,c,22,0.238).
4172atm(d199,d199_5,c,22,-0.092).
4173atm(d199,d199_6,c,22,-0.092).
4174atm(d199,d199_7,h,3,0.168).
4175atm(d199,d199_8,h,3,0.168).
4176atm(d199,d199_9,h,3,0.168).
4177atm(d199,d199_10,h,3,0.168).
4178atm(d199,d199_11,h,3,0.168).
4179atm(d199,d199_12,n,32,-0.362).
4180atm(d199,d199_13,c,22,0.238).
4181atm(d199,d199_14,c,22,-0.092).
4182atm(d199,d199_15,c,22,-0.092).
4183atm(d199,d199_16,c,22,-0.092).
4184atm(d199,d199_17,c,22,-0.092).
4185atm(d199,d199_18,c,22,-0.092).
4186atm(d199,d199_19,h,3,0.168).
4187atm(d199,d199_20,h,3,0.168).
4188atm(d199,d199_21,h,3,0.168).
4189atm(d199,d199_22,h,3,0.168).
4190atm(d199,d199_23,h,3,0.168).
4191atm(d199,d199_24,n,32,-0.362).
4192atm(d199,d199_25,o,40,-0.512).
4193atm(d2,d2_1,c,22,-0.151).
4194atm(d2,d2_2,c,22,-0.151).
4195atm(d2,d2_3,c,26,0.079).
4196atm(d2,d2_4,c,26,0.279).
4197atm(d2,d2_5,c,22,-0.151).
4198atm(d2,d2_6,c,22,-0.151).
4199atm(d2,d2_7,h,3,0.109).
4200atm(d2,d2_8,h,3,0.109).
4201atm(d2,d2_9,h,3,0.109).
4202atm(d2,d2_10,h,3,0.109).
4203atm(d2,d2_11,c,26,0.079).
4204atm(d2,d2_12,c,26,0.279).
4205atm(d2,d2_13,n,34,-0.421).
4206atm(d2,d2_14,c,22,-0.151).
4207atm(d2,d2_15,c,22,-0.151).
4208atm(d2,d2_16,c,22,0.179).
4209atm(d2,d2_17,c,22,-0.151).
4210atm(d2,d2_18,h,3,0.109).
4211atm(d2,d2_19,h,3,0.109).
4212atm(d2,d2_20,h,3,0.109).
4213atm(d2,d2_21,c,10,-0.021).
4214atm(d2,d2_22,c,10,-0.121).
4215atm(d2,d2_23,h,3,0.029).
4216atm(d2,d2_24,h,3,0.029).
4217atm(d2,d2_25,h,3,0.029).
4218atm(d2,d2_26,h,3,0.029).
4219atm(d2,d2_27,h,3,0.029).
4220atm(d2,d2_28,n,32,-0.801).
4221atm(d2,d2_29,h,1,0.309).
4222atm(d2,d2_30,h,1,0.309).
4223atm(d20,d20_1,c,22,-0.137).
4224atm(d20,d20_2,c,22,-0.137).
4225atm(d20,d20_3,c,22,-0.137).
4226atm(d20,d20_4,c,22,0.173).
4227atm(d20,d20_5,c,22,0.193).
4228atm(d20,d20_6,c,22,-0.137).
4229atm(d20,d20_7,h,3,0.123).
4230atm(d20,d20_8,h,3,0.123).
4231atm(d20,d20_9,h,3,0.123).
4232atm(d20,d20_10,o,50,-0.237).
4233atm(d20,d20_11,n,32,-0.787).
4234atm(d20,d20_12,n,38,0.793).
4235atm(d20,d20_13,c,10,0.083).
4236atm(d20,d20_14,h,3,0.043).
4237atm(d20,d20_15,h,3,0.043).
4238atm(d20,d20_16,h,3,0.043).
4239atm(d20,d20_17,o,40,-0.407).
4240atm(d20,d20_18,o,40,-0.407).
4241atm(d20,d20_19,h,1,0.323).
4242atm(d20,d20_20,h,1,0.323).
4243atm(d200,d200_1,c,22,-0.13).
4244atm(d200,d200_2,c,22,-0.13).
4245atm(d200,d200_3,c,22,-0.13).
4246atm(d200,d200_4,c,22,-0.13).
4247atm(d200,d200_5,c,22,0.0).
4248atm(d200,d200_6,c,22,-0.13).
4249atm(d200,d200_7,h,3,0.13).
4250atm(d200,d200_8,h,3,0.13).
4251atm(d200,d200_9,h,3,0.13).
4252atm(d200,d200_10,h,3,0.13).
4253atm(d200,d200_11,h,3,0.13).
4254atm(d200,d200_12,c,14,0.23).
4255atm(d200,d200_13,o,41,-0.43).
4256atm(d200,d200_14,h,3,0.2).
4257atm(d201,d201_1,c,29,-0.005).
4258atm(d201,d201_2,c,27,-0.105).
4259atm(d201,d201_3,c,27,-0.105).
4260atm(d201,d201_4,c,22,0.095).
4261atm(d201,d201_5,c,22,-0.136).
4262atm(d201,d201_6,c,22,-0.136).
4263atm(d201,d201_7,c,29,-0.005).
4264atm(d201,d201_8,c,29,-0.005).
4265atm(d201,d201_9,c,22,0.095).
4266atm(d201,d201_10,c,14,0.544).
4267atm(d201,d201_11,c,22,0.095).
4268atm(d201,d201_12,c,22,-0.135).
4269atm(d201,d201_13,c,22,-0.135).
4270atm(d201,d201_14,c,22,-0.135).
4271atm(d201,d201_15,c,22,-0.135).
4272atm(d201,d201_16,c,22,-0.135).
4273atm(d201,d201_17,c,22,-0.136).
4274atm(d201,d201_18,o,40,-0.556).
4275atm(d201,d201_19,c,29,-0.005).
4276atm(d201,d201_20,c,22,0.095).
4277atm(d201,d201_21,c,14,0.544).
4278atm(d201,d201_22,c,22,-0.135).
4279atm(d201,d201_23,c,22,-0.136).
4280atm(d201,d201_24,c,22,-0.136).
4281atm(d201,d201_25,c,22,-0.136).
4282atm(d201,d201_26,h,3,0.125).
4283atm(d201,d201_27,h,3,0.125).
4284atm(d201,d201_28,h,3,0.125).
4285atm(d201,d201_29,h,3,0.125).
4286atm(d201,d201_30,h,3,0.125).
4287atm(d201,d201_31,h,3,0.125).
4288atm(d201,d201_32,h,3,0.125).
4289atm(d201,d201_33,h,3,0.125).
4290atm(d201,d201_34,h,3,0.125).
4291atm(d201,d201_35,h,3,0.125).
4292atm(d201,d201_36,h,3,0.125).
4293atm(d201,d201_37,h,3,0.125).
4294atm(d201,d201_38,o,40,-0.556).
4295atm(d202,d202_1,c,10,-0.299).
4296atm(d202,d202_2,c,10,0.101).
4297atm(d202,d202_3,c,16,-0.199).
4298atm(d202,d202_4,c,16,-0.199).
4299atm(d202,d202_5,c,14,0.581).
4300atm(d202,d202_6,c,10,-0.099).
4301atm(d202,d202_7,h,3,0.052).
4302atm(d202,d202_8,h,3,0.052).
4303atm(d202,d202_9,h,3,0.052).
4304atm(d202,d202_10,h,3,0.052).
4305atm(d202,d202_11,c,10,-0.088).
4306atm(d202,d202_12,h,3,0.052).
4307atm(d202,d202_13,h,3,0.052).
4308atm(d202,d202_14,h,3,0.052).
4309atm(d202,d202_15,c,10,-0.088).
4310atm(d202,d202_16,h,3,0.052).
4311atm(d202,d202_17,h,3,0.052).
4312atm(d202,d202_18,h,3,0.052).
4313atm(d202,d202_19,c,10,0.092).
4314atm(d202,d202_20,h,3,0.052).
4315atm(d202,d202_21,h,3,0.052).
4316atm(d202,d202_22,h,3,0.052).
4317atm(d202,d202_23,o,42,-0.579).
4318atm(d202,d202_24,h,3,0.101).
4319atm(d203,d203_1,c,22,0.874).
4320atm(d203,d203_2,n,35,-0.766).
4321atm(d203,d203_3,c,22,0.874).
4322atm(d203,d203_4,n,35,-0.766).
4323atm(d203,d203_5,c,22,0.874).
4324atm(d203,d203_6,n,35,-0.766).
4325atm(d203,d203_7,n,32,-0.776).
4326atm(d203,d203_8,n,32,-0.776).
4327atm(d203,d203_9,n,32,-0.776).
4328atm(d203,d203_10,h,1,0.334).
4329atm(d203,d203_11,h,1,0.334).
4330atm(d203,d203_12,h,1,0.334).
4331atm(d203,d203_13,h,1,0.334).
4332atm(d203,d203_14,h,1,0.334).
4333atm(d203,d203_15,h,1,0.334).
4334atm(d204,d204_1,n,36,-0.334).
4335atm(d204,d204_2,c,10,0.055).
4336atm(d204,d204_3,h,3,0.015).
4337atm(d204,d204_4,h,3,0.015).
4338atm(d204,d204_5,h,3,0.015).
4339atm(d204,d204_6,c,14,0.516).
4340atm(d204,d204_7,n,36,-0.334).
4341atm(d204,d204_8,c,10,-0.035).
4342atm(d204,d204_9,h,3,0.015).
4343atm(d204,d204_10,h,3,0.015).
4344atm(d204,d204_11,h,3,0.015).
4345atm(d204,d204_12,c,10,-0.035).
4346atm(d204,d204_13,h,3,0.015).
4347atm(d204,d204_14,h,3,0.015).
4348atm(d204,d204_15,h,3,0.015).
4349atm(d204,d204_16,s,75,-0.184).
4350atm(d204,d204_17,h,1,0.216).
4351atm(d205,d205_1,s,74,-0.213).
4352atm(d205,d205_2,zn,87,1.908).
4353atm(d205,d205_3,s,70,-0.393).
4354atm(d205,d205_4,s,70,-0.392).
4355atm(d205,d205_5,s,74,-0.213).
4356atm(d205,d205_6,c,192,0.488).
4357atm(d205,d205_7,n,36,-0.393).
4358atm(d205,d205_8,c,10,-0.093).
4359atm(d205,d205_9,h,3,-0.043).
4360atm(d205,d205_10,h,3,-0.043).
4361atm(d205,d205_11,h,3,-0.043).
4362atm(d205,d205_12,c,10,-0.093).
4363atm(d205,d205_13,h,3,-0.043).
4364atm(d205,d205_14,h,3,-0.043).
4365atm(d205,d205_15,h,3,-0.043).
4366atm(d205,d205_16,c,192,0.488).
4367atm(d205,d205_17,n,36,-0.392).
4368atm(d205,d205_18,c,10,-0.093).
4369atm(d205,d205_19,h,3,-0.043).
4370atm(d205,d205_20,h,3,-0.043).
4371atm(d205,d205_21,h,3,-0.043).
4372atm(d205,d205_22,c,10,-0.093).
4373atm(d205,d205_23,h,3,-0.043).
4374atm(d205,d205_24,h,3,-0.043).
4375atm(d205,d205_25,h,3,-0.043).
4376atm(d206,d206_1,c,10,-0.121).
4377atm(d206,d206_2,c,10,0.079).
4378atm(d206,d206_3,c,10,0.079).
4379atm(d206,d206_4,c,16,-0.221).
4380atm(d206,d206_5,c,16,-0.221).
4381atm(d206,d206_6,c,10,0.079).
4382atm(d206,d206_7,c,10,0.07).
4383atm(d206,d206_8,c,16,-0.221).
4384atm(d206,d206_9,c,10,0.07).
4385atm(d206,d206_10,c,16,-0.221).
4386atm(d206,d206_11,h,3,0.03).
4387atm(d206,d206_12,h,3,0.03).
4388atm(d206,d206_13,h,3,0.03).
4389atm(d206,d206_14,h,3,0.03).
4390atm(d206,d206_15,h,3,0.03).
4391atm(d206,d206_16,h,3,0.03).
4392atm(d206,d206_17,h,3,0.03).
4393atm(d206,d206_18,h,3,0.03).
4394atm(d206,d206_19,h,3,0.03).
4395atm(d206,d206_20,h,3,0.03).
4396atm(d206,d206_21,h,3,0.03).
4397atm(d206,d206_22,h,3,0.03).
4398atm(d206,d206_23,h,3,0.03).
4399atm(d206,d206_24,h,3,0.079).
4400atm(d206,d206_25,h,3,0.079).
4401atm(d206,d206_26,h,3,0.08).
4402atm(d207,d207_1,c,22,-0.104).
4403atm(d207,d207_2,c,22,-0.104).
4404atm(d207,d207_3,c,22,0.026).
4405atm(d207,d207_4,c,22,0.026).
4406atm(d207,d207_5,c,22,-0.104).
4407atm(d207,d207_6,c,22,-0.104).
4408atm(d207,d207_7,h,3,0.156).
4409atm(d207,d207_8,h,3,0.155).
4410atm(d207,d207_9,h,3,0.155).
4411atm(d207,d207_10,h,3,0.156).
4412atm(d207,d207_11,c,14,0.725).
4413atm(d207,d207_12,o,49,-0.625).
4414atm(d207,d207_13,c,10,0.116).
4415atm(d207,d207_14,c,16,-0.175).
4416atm(d207,d207_15,h,3,0.076).
4417atm(d207,d207_16,h,3,0.076).
4418atm(d207,d207_17,c,16,-0.175).
4419atm(d207,d207_18,o,51,-0.525).
4420atm(d207,d207_19,h,3,0.126).
4421atm(d207,d207_20,h,3,0.126).
4422atm(d207,d207_21,h,3,0.126).
4423atm(d207,d207_22,c,14,0.725).
4424atm(d207,d207_23,o,49,-0.625).
4425atm(d207,d207_24,c,10,0.116).
4426atm(d207,d207_25,c,16,-0.175).
4427atm(d207,d207_26,h,3,0.076).
4428atm(d207,d207_27,h,3,0.076).
4429atm(d207,d207_28,c,16,-0.175).
4430atm(d207,d207_29,o,51,-0.525).
4431atm(d207,d207_30,h,3,0.126).
4432atm(d207,d207_31,h,3,0.126).
4433atm(d207,d207_32,h,3,0.126).
4434atm(d208_1,d208_1_1,n,36,-0.335).
4435atm(d208_1,d208_1_2,c,14,0.515).
4436atm(d208_1,d208_1_3,n,36,-0.336).
4437atm(d208_1,d208_1_4,s,75,-0.186).
4438atm(d208_1,d208_1_5,n,36,-0.336).
4439atm(d208_1,d208_1_6,c,14,0.515).
4440atm(d208_1,d208_1_7,n,36,-0.335).
4441atm(d208_1,d208_1_8,s,75,-0.186).
4442atm(d208_1,d208_1_9,h,1,0.114).
4443atm(d208_1,d208_1_10,h,1,0.114).
4444atm(d208_1,d208_1_11,h,1,0.114).
4445atm(d208_1,d208_1_12,h,1,0.114).
4446atm(d208_1,d208_1_13,h,1,0.114).
4447atm(d208_1,d208_1_14,h,1,0.114).
4448atm(d208_2,d208_2_1,te,129,0.97).
4449atm(d208_2,d208_2_2,s,74,-0.149).
4450atm(d208_2,d208_2_3,s,74,-0.149).
4451atm(d208_2,d208_2_4,s,74,-0.149).
4452atm(d208_2,d208_2_5,s,74,-0.149).
4453atm(d208_2,d208_2_6,c,14,0.521).
4454atm(d208_2,d208_2_7,n,36,-0.329).
4455atm(d208_2,d208_2_8,c,10,-0.029).
4456atm(d208_2,d208_2_9,c,10,-0.129).
4457atm(d208_2,d208_2_10,h,3,0.021).
4458atm(d208_2,d208_2_11,h,3,0.021).
4459atm(d208_2,d208_2_12,h,3,0.021).
4460atm(d208_2,d208_2_13,h,3,0.021).
4461atm(d208_2,d208_2_14,h,3,0.021).
4462atm(d208_2,d208_2_15,c,10,-0.029).
4463atm(d208_2,d208_2_16,c,10,-0.129).
4464atm(d208_2,d208_2_17,h,3,0.021).
4465atm(d208_2,d208_2_18,h,3,0.021).
4466atm(d208_2,d208_2_19,h,3,0.021).
4467atm(d208_2,d208_2_20,h,3,0.021).
4468atm(d208_2,d208_2_21,h,3,0.021).
4469atm(d208_2,d208_2_22,s,75,-0.179).
4470atm(d208_2,d208_2_23,c,14,0.521).
4471atm(d208_2,d208_2_24,n,36,-0.329).
4472atm(d208_2,d208_2_25,c,10,-0.029).
4473atm(d208_2,d208_2_26,c,10,-0.129).
4474atm(d208_2,d208_2_27,h,3,0.021).
4475atm(d208_2,d208_2_28,h,3,0.021).
4476atm(d208_2,d208_2_29,h,3,0.021).
4477atm(d208_2,d208_2_30,h,3,0.021).
4478atm(d208_2,d208_2_31,h,3,0.021).
4479atm(d208_2,d208_2_32,c,10,-0.029).
4480atm(d208_2,d208_2_33,c,10,-0.129).
4481atm(d208_2,d208_2_34,h,3,0.021).
4482atm(d208_2,d208_2_35,h,3,0.021).
4483atm(d208_2,d208_2_36,h,3,0.021).
4484atm(d208_2,d208_2_37,h,3,0.021).
4485atm(d208_2,d208_2_38,h,3,0.021).
4486atm(d208_2,d208_2_39,c,14,0.52).
4487atm(d208_2,d208_2_40,n,36,-0.329).
4488atm(d208_2,d208_2_41,c,10,-0.029).
4489atm(d208_2,d208_2_42,c,10,-0.129).
4490atm(d208_2,d208_2_43,h,3,0.021).
4491atm(d208_2,d208_2_44,h,3,0.021).
4492atm(d208_2,d208_2_45,h,3,0.021).
4493atm(d208_2,d208_2_46,h,3,0.021).
4494atm(d208_2,d208_2_47,h,3,0.021).
4495atm(d208_2,d208_2_48,c,10,-0.029).
4496atm(d208_2,d208_2_49,c,10,-0.129).
4497atm(d208_2,d208_2_50,h,3,0.021).
4498atm(d208_2,d208_2_51,h,3,0.021).
4499atm(d208_2,d208_2_52,h,3,0.021).
4500atm(d208_2,d208_2_53,h,3,0.021).
4501atm(d208_2,d208_2_54,h,3,0.021).
4502atm(d208_2,d208_2_55,c,14,0.52).
4503atm(d208_2,d208_2_56,n,36,-0.329).
4504atm(d208_2,d208_2_57,c,10,-0.029).
4505atm(d208_2,d208_2_58,c,10,-0.129).
4506atm(d208_2,d208_2_59,h,3,0.021).
4507atm(d208_2,d208_2_60,h,3,0.021).
4508atm(d208_2,d208_2_61,h,3,0.021).
4509atm(d208_2,d208_2_62,h,3,0.021).
4510atm(d208_2,d208_2_63,h,3,0.021).
4511atm(d208_2,d208_2_64,c,10,-0.029).
4512atm(d208_2,d208_2_65,c,10,-0.129).
4513atm(d208_2,d208_2_66,h,3,0.021)
?-
induce([train],[test],P,LL,AUCROC,ROC,AUCPR,PR)
. ?-induce_par([train],[test],P,LL,AUCROC,ROC,AUCPR,PR)
. ?-induce([all],P)
. ?-induce_par([all],P)
. */