1/* Carcinogenesis dataset from
    2
    3Srinivasan A, King RD, Muggleton S, Sternberg MJE (1997) 
    4Carcinogenesis predictions using ILP. 
    5In: Lavrac N, Dzeroski S (eds) 7th International Workshop on Inductive
    6Logic Programming, Springer, LNCS, pp 273-287
    7
    8Downloaded from
    9http://www.cs.ox.ac.uk/activities/machlearn/cancer.html
   10
   11Used in
   12Nicola Di Mauro, Elena Bellodi, and Fabrizio Riguzzi. Bandit-based Monte-Carlo 
   13structure learning of probabilistic logic programs. 
   14Machine Learning, 100(1):127-156, July 2015
   15*/

?- 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). */

   23:-use_module(library(slipcover)).   24:-use_module(library(lists)).   25
   26:- if(current_predicate(use_rendering/1)).   27:- use_rendering(c3).   28:- use_rendering(lpad).   29:- endif.   30
   31:-sc.   32
   33bg([]).
   34
   35in([
   36(active:0.5 :-
   37        atm(B,n,32,C)),
   38
   39(active:0.5 :-
   40        has_property(cytogen_ca,p)),
   41
   42(active:0.5 :-
   43        ames),
   44
   45(active:0.5 :-
   46        atm(B,c,22,C),
   47        symbond(B,D,7)),
   48
   49(active:0.5 :-
   50        has_property(cytogen_sce,p)),
   51
   52(active:0.5:-
   53        atm(B,c,10,C),
   54        symbond(B,D,1))
   55]).
   56
   57:-set_sc(single_var,false).   58:-set_sc(megaex_bottom,16).   59:-set_sc(max_iter,60).   60:-set_sc(beamsize,100).   61:-set_sc(d,2).   62:-set_sc(max_var,3).   63:-set_sc(max_iter_structure,50).   64:-set_sc(seed,rand(12452,14223,9322)).   65%:-set_sc(initial_clauses_per_megaex,4).
   66:-set_sc(depth_bound,false).   67fold(train,[
   68  % pos
   69  d1,d10,d101,d102,d103,d106,d107,d108,d11,d12,d13,d134,d135,d136,d138,d140,
   70  d141,d144,d145,d146,d147,d15,d17,d19,d192,d193,d195,d196,d197,d198,d199,
   71  d2,d20,d200,d201,d202,d203,d204,d205,d21,d22,d226,d227,d228,d229,d231,
   72  d232,d234,d236,d239,d23_2,d242,d245,d247,d249,d25,d252,d253,d254,d255,
   73  d26,d272,d275,d277,d279,d28,d281,d283,d284,d288,d29,d290,d291,d292,d30,
   74  d31,d32,d33,d34,d35,d36,d37,d38,d42,d43,d44,d45,d46,d47,d48,d49,d5,d51,
   75  d52,d53,d55,d58,d6,d7,d84,d85_2,d86,d87,d88,d89,d9,d91,d92,d93,d95,d96,
   76  d98,d99,d100,d104,d105,d109,d137,d139,d14,d142,d143,d148,d16,d18,d191,
   77  d206,d230,d233,d235,d237,d238,d23_1,d24,d240,d241,d243,d244,d246,d248,
   78  d250,d251,d27,d273,d274,d278,d286,d289,d3,d39,d4,d40,d41,d50,d54,d56,
   79  d57,d8,d85_1,d90,d94,d97,
   80  % neg
   81  d110,d111,d114,d116,d117,d119,d121,d123,d124,d125,d127,d128,d130,d133,
   82  d150,d151,d154,d155,d156,d159,d160,d161,d162,d163,d164,d165,d166,d169,
   83  d170,d171,d172,d173,d174,d178,d179,d180,d181,d183,d184,d185,d186,d188,
   84  d190,d194,d207,d208_1,d209,d210,d211,d212,d213,d214,d215,d217,d218,d219,
   85  d220,d224,d256,d257,d258,d261,d262,d263,d264,d265,d266,d267,d269,d271,
   86  d276,d280,d285,d287,d293,d294,d59,d60,d61,d63,d64,d65,d69,d70,d71,d72,
   87  d73,d74,d75,d76,d77,d78,d79,d80,d81,d82,d112,d113,d115,d118,d120,d122,
   88  d126,d129,d131,d132,d149,d152,d153,d157,d158,d167,d168,d175,d176,d177,
   89  d182,d187,d189,d208_2,d216,d221,d222,d223,d225,d259,d260,d268,d270,
   90  d282,d295,d62,d66,d67,d68,d83]).
   91
   92fold(test,[
   93  % pos
   94  d296,d305,d306,d307,d308,d311,d314,d315,d316,d320,d322,d323,d325,d329,d330,
   95  d331,d332,d333,d336,d337,
   96  % neg
   97  d297,d298,d299,d300,d302,d303,d304,d309,d312,d313,d317,d318,d319,d324,d326,
   98  d327,d328,d334,d335]).
   99
  100fold(all,F):-
  101  fold(train,FTr),
  102  fold(test,FTe),
  103  append(FTr,FTe,F).
  104
  105output(active/0).
  106
  107input(ames/0).
  108input(has_property/2).
  109input(ashby_alert/2).
  110input(mutagenic/0).
  111input(ind/2).
  112input(atm/4).
  113input(symbond/3).
  114input(bond/3).
  115input(nitro/1).
  116input(sulfo/1).
  117input(methyl/1).
  118input(methoxy/1).
  119input(amine/1).
  120input(ketone/1).
  121input(ether/1).
  122input(sulfide/1).
  123input(alcohol/1).
  124input(phenol/1).
  125input(ester/1).
  126input(imine/1).
  127input(alkyl_halide/1).
  128input(ar_halide/1).
  129input(non_ar_6c_ring/1).
  130input(non_ar_hetero_6_ring/1).
  131input(six_ring/1).
  132input(non_ar_5c_ring/1).
  133input(non_ar_hetero_5_ring/1).
  134input(five_ring/1).
  135input(connected/2).
  136
  137
  138modeh(1,active).
  139
  140modeb(*,ames).
  141modeb(*,mutagenic).
  142modeb(*,has_property(-#property,-#propval)).
  143modeb(*,ashby_alert(-#alert,-ring)).
  144modeb(*,ind(-#alert,-nalerts)).
  145
  146modeb(*,atm(-atomid,-#element,-#integer,-charge)).
  147modeb(*,symbond(+atomid,-atomid,-#integer)).
  148
  149modeb(1,(+charge) >= (#charge)).
  150modeb(1,(+charge) =< (#charge)).
  151modeb(1,(+charge) = (#charge)).
  152modeb(1,(+nalerts) >= (#nalerts)).
  153modeb(1,(+nalerts) =< (#nalerts)).
  154modeb(1,(+nalerts) = (#nalerts)).
  155
  156modeb(*,nitro(-ring)).
  157modeb(*,sulfo(-ring)).
  158modeb(*,methyl(-ring)).
  159modeb(*,methoxy(-ring)).
  160modeb(*,amine(-ring)).
  161modeb(*,ketone(-ring)).
  162modeb(*,ether(-ring)).
  163modeb(*,sulfide(-ring)).
  164modeb(*,alcohol(-ring)).
  165modeb(*,phenol(-ring)).
  166modeb(*,ester(-ring)).
  167modeb(*,imine(-ring)).
  168modeb(*,alkyl_halide(-ring)).
  169modeb(*,ar_halide(-ring)).
  170modeb(*,non_ar_6c_ring(-ring)).
  171modeb(*,non_ar_hetero_6_ring(-ring)).
  172modeb(*,six_ring(-ring)).
  173modeb(*,non_ar_5c_ring(-ring)).
  174modeb(*,non_ar_hetero_5_ring(-ring)).
  175modeb(*,five_ring(-ring)).
  176modeb(1,connected(+ring,+ring)).
  177
  178determination(active/0,ames/0).
  179determination(active/0,has_property/2).
  180determination(active/0,ashby_alert/2).
  181determination(active/0,mutagenic/0).
  182determination(active/0,ind/2).
  183determination(active/0,atm/4).
  184determination(active/0,symbond/3).
  185determination(active/0,nitro/1).
  186determination(active/0,nitro/1).
  187determination(active/0,sulfo/1).
  188determination(active/0,methyl/1).
  189determination(active/0,methoxy/1).
  190determination(active/0,amine/1).
  191determination(active/0,ketone/1).
  192determination(active/0,ether/1).
  193determination(active/0,sulfide/1).
  194determination(active/0,alcohol/1).
  195determination(active/0,phenol/1).
  196determination(active/0,ester/1).
  197determination(active/0,imine/1).
  198determination(active/0,alkyl_halide/1).
  199determination(active/0,ar_halide/1).
  200determination(active/0,non_ar_6c_ring/1).
  201determination(active/0,non_ar_hetero_6_ring/1).
  202determination(active/0,six_ring/1).
  203determination(active/0,non_ar_5c_ring/1).
  204determination(active/0,non_ar_hetero_5_ring/1).
  205determination(active/0,five_ring/1).
  206determination(active/0,connected/2).
  207determination(active/0,'=<'/2).
  208determination(active/0,'>='/2).
  209determination(active/0,'='/2).
  210
  211connected(_M,Ring1,Ring2):-
  212        Ring1 \= Ring2,
  213        member(A,Ring1),
  214        member(A,Ring2), !.
  215
  216symbond(Mod,A,B,T):- bond(Mod,A,B,T).
  217symbond(Mod,A,B,T):- bond(Mod,B,A,T).
  218
  219
  220%train
  221active(d1).
  222active(d10).
  223active(d101).
  224active(d102).
  225active(d103).
  226active(d106).
  227active(d107).
  228active(d108).
  229active(d11).
  230active(d12).
  231active(d13).
  232active(d134).
  233active(d135).
  234active(d136).
  235active(d138).
  236active(d140).
  237active(d141).
  238active(d144).
  239active(d145).
  240active(d146).
  241active(d147).
  242active(d15).
  243active(d17).
  244active(d19).
  245active(d192).
  246active(d193).
  247active(d195).
  248active(d196).
  249active(d197).
  250active(d198).
  251active(d199).
  252active(d2).
  253active(d20).
  254active(d200).
  255active(d201).
  256active(d202).
  257active(d203).
  258active(d204).
  259active(d205).
  260active(d21).
  261active(d22).
  262active(d226).
  263active(d227).
  264active(d228).
  265active(d229).
  266active(d231).
  267active(d232).
  268active(d234).
  269active(d236).
  270active(d239).
  271active(d23_2).
  272active(d242).
  273active(d245).
  274active(d247).
  275active(d249).
  276active(d25).
  277active(d252).
  278active(d253).
  279active(d254).
  280active(d255).
  281active(d26).
  282active(d272).
  283active(d275).
  284active(d277).
  285active(d279).
  286active(d28).
  287active(d281).
  288active(d283).
  289active(d284).
  290active(d288).
  291active(d29).
  292active(d290).
  293active(d291).
  294active(d292).
  295active(d30).
  296active(d31).
  297active(d32).
  298active(d33).
  299active(d34).
  300active(d35).
  301active(d36).
  302active(d37).
  303active(d38).
  304active(d42).
  305active(d43).
  306active(d44).
  307active(d45).
  308active(d46).
  309active(d47).
  310active(d48).
  311active(d49).
  312active(d5).
  313active(d51).
  314active(d52).
  315active(d53).
  316active(d55).
  317active(d58).
  318active(d6).
  319active(d7).
  320active(d84).
  321active(d85_2).
  322active(d86).
  323active(d87).
  324active(d88).
  325active(d89).
  326active(d9).
  327active(d91).
  328active(d92).
  329active(d93).
  330active(d95).
  331active(d96).
  332active(d98).
  333active(d99).
  334active(d100).
  335active(d104).
  336active(d105).
  337active(d109).
  338active(d137).
  339active(d139).
  340active(d14).
  341active(d142).
  342active(d143).
  343active(d148).
  344active(d16).
  345active(d18).
  346active(d191).
  347active(d206).
  348active(d230).
  349active(d233).
  350active(d235).
  351active(d237).
  352active(d238).
  353active(d23_1).
  354active(d24).
  355active(d240).
  356active(d241).
  357active(d243).
  358active(d244).
  359active(d246).
  360active(d248).
  361active(d250).
  362active(d251).
  363active(d27).
  364active(d273).
  365active(d274).
  366active(d278).
  367active(d286).
  368active(d289).
  369active(d3).
  370active(d39).
  371active(d4).
  372active(d40).
  373active(d41).
  374active(d50).
  375active(d54).
  376active(d56).
  377active(d57).
  378active(d8).
  379active(d85_1).
  380active(d90).
  381active(d94).
  382active(d97).
  383neg(active(d110)).
  384neg(active(d111)).
  385neg(active(d114)).
  386neg(active(d116)).
  387neg(active(d117)).
  388neg(active(d119)).
  389neg(active(d121)).
  390neg(active(d123)).
  391neg(active(d124)).
  392neg(active(d125)).
  393neg(active(d127)).
  394neg(active(d128)).
  395neg(active(d130)).
  396neg(active(d133)).
  397neg(active(d150)).
  398neg(active(d151)).
  399neg(active(d154)).
  400neg(active(d155)).
  401neg(active(d156)).
  402neg(active(d159)).
  403neg(active(d160)).
  404neg(active(d161)).
  405neg(active(d162)).
  406neg(active(d163)).
  407neg(active(d164)).
  408neg(active(d165)).
  409neg(active(d166)).
  410neg(active(d169)).
  411neg(active(d170)).
  412neg(active(d171)).
  413neg(active(d172)).
  414neg(active(d173)).
  415neg(active(d174)).
  416neg(active(d178)).
  417neg(active(d179)).
  418neg(active(d180)).
  419neg(active(d181)).
  420neg(active(d183)).
  421neg(active(d184)).
  422neg(active(d185)).
  423neg(active(d186)).
  424neg(active(d188)).
  425neg(active(d190)).
  426neg(active(d194)).
  427neg(active(d207)).
  428neg(active(d208_1)).
  429neg(active(d209)).
  430neg(active(d210)).
  431neg(active(d211)).
  432neg(active(d212)).
  433neg(active(d213)).
  434neg(active(d214)).
  435neg(active(d215)).
  436neg(active(d217)).
  437neg(active(d218)).
  438neg(active(d219)).
  439neg(active(d220)).
  440neg(active(d224)).
  441neg(active(d256)).
  442neg(active(d257)).
  443neg(active(d258)).
  444neg(active(d261)).
  445neg(active(d262)).
  446neg(active(d263)).
  447neg(active(d264)).
  448neg(active(d265)).
  449neg(active(d266)).
  450neg(active(d267)).
  451neg(active(d269)).
  452neg(active(d271)).
  453neg(active(d276)).
  454neg(active(d280)).
  455neg(active(d285)).
  456neg(active(d287)).
  457neg(active(d293)).
  458neg(active(d294)).
  459neg(active(d59)).
  460neg(active(d60)).
  461neg(active(d61)).
  462neg(active(d63)).
  463neg(active(d64)).
  464neg(active(d65)).
  465neg(active(d69)).
  466neg(active(d70)).
  467neg(active(d71)).
  468neg(active(d72)).
  469neg(active(d73)).
  470neg(active(d74)).
  471neg(active(d75)).
  472neg(active(d76)).
  473neg(active(d77)).
  474neg(active(d78)).
  475neg(active(d79)).
  476neg(active(d80)).
  477neg(active(d81)).
  478neg(active(d82)).
  479neg(active(d112)).
  480neg(active(d113)).
  481neg(active(d115)).
  482neg(active(d118)).
  483neg(active(d120)).
  484neg(active(d122)).
  485neg(active(d126)).
  486neg(active(d129)).
  487neg(active(d131)).
  488neg(active(d132)).
  489neg(active(d149)).
  490neg(active(d152)).
  491neg(active(d153)).
  492neg(active(d157)).
  493neg(active(d158)).
  494neg(active(d167)).
  495neg(active(d168)).
  496neg(active(d175)).
  497neg(active(d176)).
  498neg(active(d177)).
  499neg(active(d182)).
  500neg(active(d187)).
  501neg(active(d189)).
  502neg(active(d208_2)).
  503neg(active(d216)).
  504neg(active(d221)).
  505neg(active(d222)).
  506neg(active(d223)).
  507neg(active(d225)).
  508neg(active(d259)).
  509neg(active(d260)).
  510neg(active(d268)).
  511neg(active(d270)).
  512neg(active(d282)).
  513neg(active(d295)).
  514neg(active(d62)).
  515neg(active(d66)).
  516neg(active(d67)).
  517neg(active(d68)).
  518neg(active(d83)).
  519% test
  520active(d296).
  521active(d305).
  522active(d306).
  523active(d307).
  524active(d308).
  525active(d311).
  526active(d314).
  527active(d315).
  528active(d316).
  529active(d320).
  530active(d322).
  531active(d323).
  532active(d325).
  533active(d329).
  534active(d330).
  535active(d331).
  536active(d332).
  537active(d333).
  538active(d336).
  539active(d337).
  540neg(active(d297)).
  541neg(active(d298)).
  542neg(active(d299)).
  543neg(active(d300)).
  544neg(active(d302)).
  545neg(active(d303)).
  546neg(active(d304)).
  547neg(active(d309)).
  548neg(active(d312)).
  549neg(active(d313)).
  550neg(active(d317)).
  551neg(active(d318)).
  552neg(active(d319)).
  553neg(active(d324)).
  554neg(active(d326)).
  555neg(active(d327)).
  556neg(active(d328)).
  557neg(active(d334)).
  558neg(active(d335)).
  559mutagenic(d2).
  560mutagenic(d13).
  561mutagenic(d18).
  562mutagenic(d19).
  563mutagenic(d27).
  564mutagenic(d28).
  565mutagenic(d35).
  566mutagenic(d36).
  567mutagenic(d37).
  568mutagenic(d38).
  569mutagenic(d41).
  570mutagenic(d42).
  571mutagenic(d48).
  572mutagenic(d50).
  573mutagenic(d51).
  574mutagenic(d54).
  575mutagenic(d58).
  576mutagenic(d61).
  577mutagenic(d62).
  578mutagenic(d63).
  579mutagenic(d66).
  580mutagenic(d69).
  581mutagenic(d72).
  582mutagenic(d76).
  583mutagenic(d77).
  584mutagenic(d78).
  585mutagenic(d84).
  586mutagenic(d86).
  587mutagenic(d89).
  588mutagenic(d92).
  589mutagenic(d96).
  590mutagenic(d101).
  591mutagenic(d104).
  592mutagenic(d106).
  593mutagenic(d107).
  594mutagenic(d112).
  595mutagenic(d113).
  596mutagenic(d117).
  597mutagenic(d121).
  598mutagenic(d123).
  599mutagenic(d126).
  600mutagenic(d128).
  601mutagenic(d135).
  602mutagenic(d137).
  603mutagenic(d139).
  604mutagenic(d140).
  605mutagenic(d143).
  606mutagenic(d144).
  607mutagenic(d145).
  608mutagenic(d146).
  609mutagenic(d147).
  610mutagenic(d152).
  611mutagenic(d153).
  612mutagenic(d154).
  613mutagenic(d155).
  614mutagenic(d156).
  615mutagenic(d159).
  616mutagenic(d160).
  617mutagenic(d161).
  618mutagenic(d163).
  619mutagenic(d164).
  620mutagenic(d166).
  621mutagenic(d168).
  622mutagenic(d171).
  623mutagenic(d173).
  624mutagenic(d174).
  625mutagenic(d177).
  626mutagenic(d179).
  627mutagenic(d180).
  628mutagenic(d182).
  629mutagenic(d183).
  630mutagenic(d185).
  631mutagenic(d186).
  632mutagenic(d187).
  633mutagenic(d188).
  634mutagenic(d189).
  635mutagenic(d191).
  636mutagenic(d192).
  637mutagenic(d193).
  638mutagenic(d195).
  639mutagenic(d197).
  640mutagenic(d201).
  641mutagenic(d202).
  642mutagenic(d205).
  643mutagenic(d206).
  644mutagenic(d207).
  645mutagenic(d211).
  646mutagenic(d214).
  647mutagenic(d215).
  648mutagenic(d216).
  649mutagenic(d224).
  650mutagenic(d225).
  651mutagenic(d227).
  652mutagenic(d228).
  653mutagenic(d229).
  654mutagenic(d231).
  655mutagenic(d235).
  656mutagenic(d237).
  657mutagenic(d239).
  658mutagenic(d242).
  659mutagenic(d245).
  660mutagenic(d246).
  661mutagenic(d249).
  662mutagenic(d251).
  663mutagenic(d254).
  664mutagenic(d257).
  665mutagenic(d258).
  666mutagenic(d261).
  667mutagenic(d264).
  668mutagenic(d266).
  669mutagenic(d269).
  670mutagenic(d270).
  671mutagenic(d271).
  672mutagenic(d288).
  673mutagenic(d292).
  674mutagenic(d297).
  675mutagenic(d300).
  676mutagenic(d308).
  677mutagenic(d309).
  678mutagenic(d311).
  679mutagenic(d313).
  680mutagenic(d314).
  681mutagenic(d322).
  682mutagenic(d323).
  683mutagenic(d324).
  684mutagenic(d329).
  685mutagenic(d330).
  686mutagenic(d332).
  687mutagenic(d334).
  688ames(d1).
  689ames(d2).
  690ames(d3).
  691ames(d4).
  692ames(d5).
  693ames(d6).
  694ames(d7).
  695ames(d8).
  696ames(d9).
  697ames(d10).
  698ames(d11).
  699ames(d12).
  700ames(d13).
  701ames(d14).
  702ames(d15).
  703ames(d16).
  704ames(d17).
  705ames(d18).
  706ames(d19).
  707ames(d20).
  708ames(d21).
  709ames(d22).
  710ames(d23_1).
  711ames(d23_2).
  712ames(d24).
  713ames(d25).
  714ames(d26).
  715ames(d27).
  716ames(d28).
  717ames(d29).
  718ames(d30).
  719ames(d31).
  720ames(d32).
  721ames(d34).
  722ames(d36).
  723ames(d37).
  724ames(d38).
  725ames(d39).
  726ames(d41).
  727ames(d43).
  728ames(d44).
  729ames(d45).
  730ames(d46).
  731ames(d47).
  732ames(d48).
  733ames(d49).
  734ames(d50).
  735ames(d51).
  736ames(d52).
  737ames(d53).
  738ames(d54).
  739ames(d55).
  740ames(d56).
  741ames(d57).
  742ames(d58).
  743ames(d59).
  744ames(d60).
  745ames(d61).
  746ames(d62).
  747ames(d63).
  748ames(d67).
  749ames(d68).
  750ames(d70).
  751ames(d71).
  752ames(d72).
  753ames(d73).
  754ames(d75).
  755ames(d78).
  756ames(d79).
  757ames(d80).
  758ames(d81).
  759ames(d83).
  760ames(d113).
  761ames(d128).
  762ames(d171).
  763ames(d194).
  764ames(d205).
  765ames(d216).
  766ames(d226).
  767ames(d227).
  768ames(d228).
  769ames(d229).
  770ames(d230).
  771ames(d232).
  772ames(d234).
  773ames(d235).
  774ames(d236).
  775ames(d237).
  776ames(d238).
  777ames(d239).
  778ames(d240).
  779ames(d241).
  780ames(d242).
  781ames(d243).
  782ames(d244).
  783ames(d245).
  784ames(d248).
  785ames(d249).
  786ames(d250).
  787ames(d252).
  788ames(d254).
  789ames(d255).
  790ames(d256).
  791ames(d257).
  792ames(d258).
  793ames(d261).
  794ames(d262).
  795ames(d263).
  796ames(d265).
  797ames(d268).
  798ames(d270).
  799ames(d272).
  800ames(d273).
  801ames(d274).
  802ames(d276).
  803ames(d278).
  804ames(d280).
  805ames(d281).
  806ames(d282).
  807ames(d286).
  808ames(d287).
  809ames(d288).
  810ames(d289).
  811ames(d290).
  812ames(d293).
  813ames(d294).
  814ames(d316).
  815ames(d319).
  816ames(d320).
  817ames(d321).
  818ames(d323).
  819ames(d324).
  820ames(d325).
  821ames(d328).
  822ames(d329).
  823ames(d331).
  824ames(d332).
  825ames(d333).
  826ames(d334).
  827ames(d335).
  828ames(d336).
  829ames(d337).
  830atm(d1,d1_1,c,22,-0.133).
  831atm(d1,d1_2,c,22,-0.133).
  832atm(d1,d1_3,c,22,-0.003).
  833atm(d1,d1_4,c,22,-0.003).
  834atm(d1,d1_5,c,22,-0.133).
  835atm(d1,d1_6,c,22,-0.133).
  836atm(d1,d1_7,h,3,0.127).
  837atm(d1,d1_8,h,3,0.127).
  838atm(d1,d1_9,h,3,0.127).
  839atm(d1,d1_10,h,3,0.127).
  840atm(d1,d1_11,c,14,0.547).
  841atm(d1,d1_12,c,22,-0.003).
  842atm(d1,d1_13,c,22,-0.003).
  843atm(d1,d1_14,c,14,0.547).
  844atm(d1,d1_15,c,22,-0.133).
  845atm(d1,d1_16,c,22,-0.133).
  846atm(d1,d1_17,c,22,0.197).
  847atm(d1,d1_18,c,22,-0.133).
  848atm(d1,d1_19,h,3,0.127).
  849atm(d1,d1_20,h,3,0.127).
  850atm(d1,d1_21,h,3,0.127).
  851atm(d1,d1_22,o,40,-0.553).
  852atm(d1,d1_23,o,40,-0.554).
  853atm(d1,d1_24,n,32,-0.784).
  854atm(d1,d1_25,h,1,0.327).
  855atm(d1,d1_26,h,1,0.327).
  856atm(d10,d10_1,c,22,-0.042).
  857atm(d10,d10_2,c,22,-0.042).
  858atm(d10,d10_3,c,22,-0.042).
  859atm(d10,d10_4,c,22,-0.042).
  860atm(d10,d10_5,c,22,0.287).
  861atm(d10,d10_6,c,22,-0.042).
  862atm(d10,d10_7,h,3,0.218).
  863atm(d10,d10_8,h,3,0.217).
  864atm(d10,d10_9,h,3,0.218).
  865atm(d10,d10_10,h,3,0.218).
  866atm(d10,d10_11,h,3,0.218).
  867atm(d10,d10_12,n,32,-0.313).
  868atm(d10,d10_13,n,32,-0.313).
  869atm(d10,d10_14,o,45,-0.563).
  870atm(d10,d10_15,h,1,0.487).
  871atm(d10,d10_16,o,40,-0.464).
  872atm(d100,d100_1,c,22,-0.105).
  873atm(d100,d100_2,c,22,-0.105).
  874atm(d100,d100_3,c,22,-0.105).
  875atm(d100,d100_4,c,22,0.125).
  876atm(d100,d100_5,c,22,-0.105).
  877atm(d100,d100_6,c,22,-0.105).
  878atm(d100,d100_7,h,3,0.156).
  879atm(d100,d100_8,h,3,0.155).
  880atm(d100,d100_9,h,3,0.155).
  881atm(d100,d100_10,h,3,0.156).
  882atm(d100,d100_11,c,22,-0.105).
  883atm(d100,d100_12,c,22,-0.105).
  884atm(d100,d100_13,c,22,-0.105).
  885atm(d100,d100_14,c,22,-0.105).
  886atm(d100,d100_15,c,22,-0.105).
  887atm(d100,d100_16,c,22,0.125).
  888atm(d100,d100_17,h,3,0.156).
  889atm(d100,d100_18,h,3,0.156).
  890atm(d100,d100_19,h,3,0.155).
  891atm(d100,d100_20,h,3,0.155).
  892atm(d100,d100_21,c,16,-0.174).
  893atm(d100,d100_22,c,16,0.426).
  894atm(d100,d100_23,cl,93,-0.174).
  895atm(d100,d100_24,cl,93,-0.174).
  896atm(d100,d100_25,cl,93,-0.174).
  897atm(d100,d100_26,cl,93,-0.174).
  898atm(d101,d101_1,c,10,0.177).
  899atm(d101,d101_2,c,10,-0.024).
  900atm(d101,d101_3,c,16,-0.124).
  901atm(d101,d101_4,c,16,-0.124).
  902atm(d101,d101_5,c,10,-0.024).
  903atm(d101,d101_6,c,10,-0.074).
  904atm(d101,d101_7,c,10,0.177).
  905atm(d101,d101_8,c,16,-0.124).
  906atm(d101,d101_9,c,16,-0.124).
  907atm(d101,d101_10,h,3,0.127).
  908atm(d101,d101_11,h,3,0.046).
  909atm(d101,d101_12,h,3,0.177).
  910atm(d101,d101_13,h,3,0.177).
  911atm(d101,d101_14,c,10,0.477).
  912atm(d101,d101_15,cl,93,-0.124).
  913atm(d101,d101_16,cl,93,-0.124).
  914atm(d101,d101_17,cl,93,-0.124).
  915atm(d101,d101_18,h,3,0.127).
  916atm(d101,d101_19,cl,93,-0.124).
  917atm(d101,d101_20,cl,93,-0.124).
  918atm(d101,d101_21,cl,93,-0.124).
  919atm(d101,d101_22,cl,93,-0.123).
  920atm(d102,d102_1,c,10,0.507).
  921atm(d102,d102_2,c,10,0.407).
  922atm(d102,d102_3,cl,93,-0.194).
  923atm(d102,d102_4,cl,93,-0.194).
  924atm(d102,d102_5,cl,93,-0.194).
  925atm(d102,d102_6,cl,93,-0.194).
  926atm(d102,d102_7,cl,93,-0.194).
  927atm(d102,d102_8,h,3,0.056).
  928atm(d103,d103_1,c,10,0.513).
  929atm(d103,d103_2,c,10,0.112).
  930atm(d103,d103_3,cl,93,-0.187).
  931atm(d103,d103_4,h,3,0.062).
  932atm(d103,d103_5,h,3,0.062).
  933atm(d103,d103_6,cl,93,-0.187).
  934atm(d103,d103_7,cl,93,-0.188).
  935atm(d103,d103_8,cl,93,-0.187).
  936atm(d104,d104_1,c,10,0.388).
  937atm(d104,d104_2,c,10,0.388).
  938atm(d104,d104_3,cl,93,-0.212).
  939atm(d104,d104_4,cl,93,-0.212).
  940atm(d104,d104_5,h,3,0.037).
  941atm(d104,d104_6,cl,93,-0.213).
  942atm(d104,d104_7,cl,93,-0.213).
  943atm(d104,d104_8,h,3,0.037).
  944atm(d105,d105_1,c,16,0.45).
  945atm(d105,d105_2,c,16,-0.15).
  946atm(d105,d105_3,cl,93,-0.15).
  947atm(d105,d105_4,cl,93,-0.15).
  948atm(d105,d105_5,cl,93,-0.15).
  949atm(d105,d105_6,h,3,0.15).
  950atm(d106,d106_1,c,10,-0.086).
  951atm(d106,d106_2,c,10,-0.036).
  952atm(d106,d106_3,c,16,-0.136).
  953atm(d106,d106_4,c,16,-0.136).
  954atm(d106,d106_5,c,10,-0.036).
  955atm(d106,d106_6,c,10,-0.086).
  956atm(d106,d106_7,c,10,0.163).
  957atm(d106,d106_8,c,16,-0.136).
  958atm(d106,d106_9,c,16,-0.136).
  959atm(d106,d106_10,c,10,0.164).
  960atm(d106,d106_11,h,3,0.034).
  961atm(d106,d106_12,h,3,0.034).
  962atm(d106,d106_13,h,3,0.163).
  963atm(d106,d106_14,h,3,0.163).
  964atm(d106,d106_15,c,10,0.463).
  965atm(d106,d106_16,c,10,-0.036).
  966atm(d106,d106_17,h,3,0.114).
  967atm(d106,d106_18,h,3,0.114).
  968atm(d106,d106_19,cl,93,-0.136).
  969atm(d106,d106_20,cl,93,-0.136).
  970atm(d106,d106_21,cl,93,-0.136).
  971atm(d106,d106_22,cl,93,-0.136).
  972atm(d106,d106_23,cl,93,-0.136).
  973atm(d106,d106_24,cl,93,-0.136).
  974atm(d106,d106_25,h,3,0.114).
  975atm(d106,d106_26,h,3,0.114).
  976atm(d107,d107c_1,c,10,0.1).
  977atm(d107,d107c_2,c,10,-0.1).
  978atm(d107,d107c_3,c,10,-0.1).
  979atm(d107,d107c_4,h,3,0.05).
  980atm(d107,d107c_5,h,3,0.05).
  981atm(d107,d107c_6,c,10,0.4).
  982atm(d107,d107c_7,h,3,0.05).
  983atm(d107,d107c_8,h,3,0.05).
  984atm(d107,d107c_9,c,10,-0.1).
  985atm(d107,d107c_10,c,10,-0.1).
  986atm(d107,d107c_11,h,3,0.05).
  987atm(d107,d107c_12,h,3,0.05).
  988atm(d107,d107c_13,c,10,-0.1).
  989atm(d107,d107c_14,h,3,0.05).
  990atm(d107,d107c_15,h,3,0.05).
  991atm(d107,d107c_16,c,10,0.15).
  992atm(d107,d107c_17,h,3,0.05).
  993atm(d107,d107c_18,h,3,0.05).
  994atm(d107,d107c_19,c,10,0.15).
  995atm(d107,d107c_20,c,10,-0.1).
  996atm(d107,d107c_21,c,10,0.15).
  997atm(d107,d107c_22,h,3,0.05).
  998atm(d107,d107c_23,h,3,0.05).
  999atm(d107,d107c_24,c,10,-0.1).
 1000atm(d107,d107c_25,c,10,-0.1).
 1001atm(d107,d107c_26,h,3,0.05).
 1002atm(d107,d107c_27,h,3,0.05).
 1003atm(d107,d107c_28,c,10,0.15).
 1004atm(d107,d107c_29,h,3,0.05).
 1005atm(d107,d107c_30,h,3,0.05).
 1006atm(d107,d107c_31,c,10,-0.1).
 1007atm(d107,d107c_32,c,10,0.15).
 1008atm(d107,d107c_33,h,3,0.05).
 1009atm(d107,d107c_34,h,3,0.05).
 1010atm(d107,d107c_35,c,10,-0.1).
 1011atm(d107,d107c_36,c,10,-0.1).
 1012atm(d107,d107c_37,h,3,0.05).
 1013atm(d107,d107c_38,h,3,0.05).
 1014atm(d107,d107c_39,c,10,0.15).
 1015atm(d107,d107c_40,h,3,0.05).
 1016atm(d107,d107c_41,h,3,0.05).
 1017atm(d107,d107c_42,c,10,0.15).
 1018atm(d107,d107c_43,c,10,-0.1).
 1019atm(d107,d107c_44,c,10,-0.1).
 1020atm(d107,d107c_45,h,3,0.05).
 1021atm(d107,d107c_46,h,3,0.05).
 1022atm(d107,d107c_47,c,10,-0.15).
 1023atm(d107,d107c_48,h,3,0.05).
 1024atm(d107,d107c_49,h,3,0.05).
 1025atm(d107,d107c_50,h,3,0.05).
 1026atm(d107,d107c_51,h,3,0.05).
 1027atm(d107,d107c_52,h,3,0.05).
 1028atm(d107,d107c_53,cl,93,-0.2).
 1029atm(d107,d107c_54,h,3,0.05).
 1030atm(d107,d107c_55,h,3,0.05).
 1031atm(d107,d107c_56,cl,93,-0.2).
 1032atm(d107,d107c_57,cl,93,-0.2).
 1033atm(d107,d107c_58,cl,93,-0.2).
 1034atm(d107,d107c_59,h,3,0.05).
 1035atm(d107,d107c_60,cl,93,-0.2).
 1036atm(d107,d107c_61,h,3,0.05).
 1037atm(d107,d107c_62,cl,93,-0.2).
 1038atm(d107,d107c_63,h,3,0.05).
 1039atm(d107,d107c_64,cl,93,-0.2).
 1040atm(d107,d107c_65,h,3,0.05).
 1041atm(d107,d107c_66,cl,93,-0.2).
 1042atm(d107,d107c_67,h,3,0.05).
 1043atm(d107,d107c_68,cl,93,-0.2).
 1044atm(d107,d107c_69,h,3,0.05).
 1045atm(d107,d107c_70,cl,93,-0.2).
 1046atm(d107,d107c_71,h,3,0.05).
 1047atm(d107,d107d_1,c,10,-0.277).
 1048atm(d107,d107d_2,c,10,-0.276).
 1049atm(d107,d107d_3,c,10,-0.276).
 1050atm(d107,d107d_4,c,10,-0.277).
 1051atm(d107,d107d_5,c,10,-0.276).
 1052atm(d107,d107d_6,c,10,-0.076).
 1053atm(d107,d107d_7,c,10,-0.276).
 1054atm(d107,d107d_8,c,10,-0.126).
 1055atm(d107,d107d_9,c,10,-0.066).
 1056atm(d107,d107d_10,h,3,0.074).
 1057atm(d107,d107d_11,h,3,0.074).
 1058atm(d107,d107d_12,h,3,0.074).
 1059atm(d107,d107d_13,c,10,-0.066).
 1060atm(d107,d107d_14,h,3,0.074).
 1061atm(d107,d107d_15,h,3,0.074).
 1062atm(d107,d107d_16,h,3,0.074).
 1063atm(d107,d107d_17,c,10,0.523).
 1064atm(d107,d107d_18,c,10,-0.066).
 1065atm(d107,d107d_19,h,3,0.074).
 1066atm(d107,d107d_20,h,3,0.074).
 1067atm(d107,d107d_21,h,3,0.074).
 1068atm(d107,d107d_22,c,10,-0.066).
 1069atm(d107,d107d_23,h,3,0.074).
 1070atm(d107,d107d_24,h,3,0.074).
 1071atm(d107,d107d_25,h,3,0.074).
 1072atm(d107,d107d_26,c,10,-0.066).
 1073atm(d107,d107d_27,h,3,0.074).
 1074atm(d107,d107d_28,h,3,0.074).
 1075atm(d107,d107d_29,h,3,0.074).
 1076atm(d107,d107d_30,c,10,-0.066).
 1077atm(d107,d107d_31,h,3,0.074).
 1078atm(d107,d107d_32,h,3,0.074).
 1079atm(d107,d107d_33,h,3,0.074).
 1080atm(d107,d107d_34,c,10,0.523).
 1081atm(d107,d107d_35,c,10,-0.066).
 1082atm(d107,d107d_36,h,3,0.074).
 1083atm(d107,d107d_37,h,3,0.074).
 1084atm(d107,d107d_38,h,3,0.074).
 1085atm(d107,d107d_39,c,10,-0.066).
 1086atm(d107,d107d_40,h,3,0.074).
 1087atm(d107,d107d_41,h,3,0.074).
 1088atm(d107,d107d_42,h,3,0.074).
 1089atm(d107,d107d_43,c,10,0.124).
 1090atm(d107,d107d_44,c,10,0.124).
 1091atm(d107,d107d_45,c,10,0.124).
 1092atm(d107,d107d_46,c,10,-0.126).
 1093atm(d107,d107d_47,h,3,-0.006).
 1094atm(d107,d107d_48,h,3,0.074).
 1095atm(d107,d107d_49,h,3,0.074).
 1096atm(d107,d107d_50,h,3,0.074).
 1097atm(d107,d107d_51,c,10,0.124).
 1098atm(d107,d107d_52,h,3,0.074).
 1099atm(d107,d107d_53,h,3,0.074).
 1100atm(d107,d107d_54,cl,93,-0.176).
 1101atm(d107,d107d_55,cl,93,-0.176).
 1102atm(d107,d107d_56,cl,93,-0.176).
 1103atm(d107,d107d_57,cl,93,-0.176).
 1104atm(d107,d107d_58,cl,93,-0.176).
 1105atm(d107,d107d_59,cl,93,-0.176).
 1106atm(d107,d107d_60,cl,93,-0.176).
 1107atm(d107,d107d_61,h,3,0.074).
 1108atm(d107,d107d_62,h,3,0.074).
 1109atm(d107,d107d_63,cl,93,-0.176).
 1110atm(d107,d107d_64,h,3,0.074).
 1111atm(d107,d107d_65,h,3,0.074).
 1112atm(d107,d107d_66,cl,93,-0.176).
 1113atm(d107,d107d_67,h,3,0.074).
 1114atm(d107,d107d_68,h,3,0.074).
 1115atm(d107,d107d_69,cl,93,-0.176).
 1116atm(d107,d107d_70,h,3,0.074).
 1117atm(d107,d107d_71,h,3,0.074).
 1118atm(d108,d108_1,c,22,-0.086).
 1119atm(d108,d108_2,c,22,-0.086).
 1120atm(d108,d108_3,c,22,-0.086).
 1121atm(d108,d108_4,c,22,-0.086).
 1122atm(d108,d108_5,c,22,-0.086).
 1123atm(d108,d108_6,c,22,-0.086).
 1124atm(d108,d108_7,h,3,0.174).
 1125atm(d108,d108_8,h,3,0.174).
 1126atm(d108,d108_9,h,3,0.173).
 1127atm(d108,d108_10,h,3,0.174).
 1128atm(d108,d108_11,c,22,-0.086).
 1129atm(d108,d108_12,c,22,-0.086).
 1130atm(d108,d108_13,c,22,-0.086).
 1131atm(d108,d108_14,c,22,-0.086).
 1132atm(d108,d108_15,c,22,-0.086).
 1133atm(d108,d108_16,c,22,-0.086).
 1134atm(d108,d108_17,h,3,0.173).
 1135atm(d108,d108_18,h,3,0.173).
 1136atm(d108,d108_19,h,3,0.174).
 1137atm(d108,d108_20,h,3,0.174).
 1138atm(d108,d108_21,c,10,0.044).
 1139atm(d108,d108_22,o,45,-0.607).
 1140atm(d108,d108_23,c,10,0.543).
 1141atm(d108,d108_24,cl,93,-0.156).
 1142atm(d108,d108_25,cl,93,-0.156).
 1143atm(d108,d108_26,cl,93,-0.156).
 1144atm(d108,d108_27,cl,93,-0.156).
 1145atm(d108,d108_28,cl,93,-0.156).
 1146atm(d108,d108_29,h,8,0.443).
 1147atm(d109,d109_1,c,21,0.022).
 1148atm(d109,d109_2,c,21,-0.108).
 1149atm(d109,d109_3,c,21,-0.108).
 1150atm(d109,d109_4,c,21,-0.108).
 1151atm(d109,d109_5,o,52,-0.008).
 1152atm(d109,d109_6,c,22,-0.108).
 1153atm(d109,d109_7,c,22,-0.108).
 1154atm(d109,d109_8,c,22,-0.108).
 1155atm(d109,d109_9,c,22,0.221).
 1156atm(d109,d109_10,c,22,0.022).
 1157atm(d109,d109_11,c,22,-0.108).
 1158atm(d109,d109_12,c,14,0.801).
 1159atm(d109,d109_13,o,45,-0.649).
 1160atm(d109,d109_14,cl,93,-0.179).
 1161atm(d109,d109_15,s,77,0.371).
 1162atm(d109,d109_16,n,36,-0.279).
 1163atm(d109,d109_17,o,51,-0.589).
 1164atm(d109,d109_18,o,40,-0.229).
 1165atm(d109,d109_19,o,40,-0.229).
 1166atm(d109,d109_20,n,32,-0.379).
 1167atm(d109,d109_21,c,10,0.022).
 1168atm(d109,d109_22,h,3,0.152).
 1169atm(d109,d109_23,h,3,0.152).
 1170atm(d109,d109_24,h,1,0.271).
 1171atm(d109,d109_25,h,1,0.171).
 1172atm(d109,d109_26,h,1,0.171).
 1173atm(d109,d109_27,h,1,0.321).
 1174atm(d109,d109_28,h,3,0.072).
 1175atm(d109,d109_29,h,3,0.072).
 1176atm(d109,d109_30,h,3,0.152).
 1177atm(d109,d109_31,h,3,0.152).
 1178atm(d109,d109_32,h,3,0.152).
 1179atm(d11,d11_1,c,22,-0.147).
 1180atm(d11,d11_2,c,22,0.163).
 1181atm(d11,d11_3,c,22,0.183).
 1182atm(d11,d11_4,c,22,-0.147).
 1183atm(d11,d11_5,c,22,0.183).
 1184atm(d11,d11_6,c,22,-0.147).
 1185atm(d11,d11_7,h,3,0.112).
 1186atm(d11,d11_8,h,3,0.112).
 1187atm(d11,d11_9,h,3,0.112).
 1188atm(d11,d11_10,n,32,-0.798).
 1189atm(d11,d11_11,n,32,-0.798).
 1190atm(d11,d11_12,o,50,-0.248).
 1191atm(d11,d11_13,c,10,0.073).
 1192atm(d11,d11_14,h,3,0.032).
 1193atm(d11,d11_15,h,3,0.032).
 1194atm(d11,d11_16,h,3,0.032).
 1195atm(d11,d11_17,h,1,0.313).
 1196atm(d11,d11_18,h,1,0.313).
 1197atm(d11,d11_19,h,1,0.312).
 1198atm(d11,d11_20,h,1,0.313).
 1199atm(d110,d110_1,c,22,-0.102).
 1200atm(d110,d110_2,c,22,-0.102).
 1201atm(d110,d110_3,c,22,-0.102).
 1202atm(d110,d110_4,c,22,-0.102).
 1203atm(d110,d110_5,c,22,-0.102).
 1204atm(d110,d110_6,c,22,-0.102).
 1205atm(d110,d110_7,h,3,0.157).
 1206atm(d110,d110_8,h,3,0.157).
 1207atm(d110,d110_9,h,3,0.157).
 1208atm(d110,d110_10,h,3,0.157).
 1209atm(d110,d110_11,h,3,0.157).
 1210atm(d110,d110_12,cl,93,-0.173).
 1211atm(d111,d111_1,c,22,-0.112).
 1212atm(d111,d111_2,c,22,-0.112).
 1213atm(d111,d111_3,c,22,0.198).
 1214atm(d111,d111_4,c,22,0.199).
 1215atm(d111,d111_5,c,22,-0.112).
 1216atm(d111,d111_6,c,22,-0.112).
 1217atm(d111,d111_7,h,3,0.148).
 1218atm(d111,d111_8,h,3,0.148).
 1219atm(d111,d111_9,h,3,0.148).
 1220atm(d111,d111_10,c,22,0.199).
 1221atm(d111,d111_11,c,22,-0.112).
 1222atm(d111,d111_12,c,22,-0.112).
 1223atm(d111,d111_13,c,22,-0.112).
 1224atm(d111,d111_14,c,22,-0.112).
 1225atm(d111,d111_15,c,22,0.198).
 1226atm(d111,d111_16,h,3,0.148).
 1227atm(d111,d111_17,h,3,0.148).
 1228atm(d111,d111_18,h,3,0.148).
 1229atm(d111,d111_19,o,50,-0.211).
 1230atm(d111,d111_20,o,50,-0.211).
 1231atm(d111,d111_21,cl,93,-0.182).
 1232atm(d111,d111_22,cl,93,-0.182).
 1233atm(d112,d112_1,c,191,-0.047).
 1234atm(d112,d112_2,c,10,-0.047).
 1235atm(d112,d112_3,c,10,-0.097).
 1236atm(d112,d112_4,c,10,-0.097).
 1237atm(d112,d112_5,c,10,-0.047).
 1238atm(d112,d112_6,c,191,-0.047).
 1239atm(d112,d112_7,c,10,-0.047).
 1240atm(d112,d112_8,c,10,0.202).
 1241atm(d112,d112_9,c,10,0.202).
 1242atm(d112,d112_10,c,10,-0.047).
 1243atm(d112,d112_11,h,3,0.023).
 1244atm(d112,d112_12,h,3,0.023).
 1245atm(d112,d112_13,o,50,-0.318).
 1246atm(d112,d112_14,h,3,0.103).
 1247atm(d112,d112_15,h,3,0.103).
 1248atm(d112,d112_16,c,10,-0.047).
 1249atm(d112,d112_17,h,3,0.103).
 1250atm(d112,d112_18,h,3,0.103).
 1251atm(d112,d112_19,c,10,0.452).
 1252atm(d112,d112_20,cl,93,-0.148).
 1253atm(d112,d112_21,cl,93,-0.147).
 1254atm(d112,d112_22,cl,93,-0.147).
 1255atm(d112,d112_23,cl,93,-0.148).
 1256atm(d112,d112_24,h,3,0.103).
 1257atm(d112,d112_25,cl,93,-0.147).
 1258atm(d112,d112_26,h,3,0.103).
 1259atm(d112,d112_27,cl,93,-0.148).
 1260atm(d112,d112_28,h,3,0.103).
 1261atm(d112,d112_29,h,3,0.103).
 1262atm(d113,d113_1,c,22,0.0).
 1263atm(d113,d113_2,c,22,-0.13).
 1264atm(d113,d113_3,c,22,-0.13).
 1265atm(d113,d113_4,c,22,-0.13).
 1266atm(d113,d113_5,c,22,-0.129).
 1267atm(d113,d113_6,c,22,-0.129).
 1268atm(d113,d113_7,h,3,0.131).
 1269atm(d113,d113_8,h,3,0.131).
 1270atm(d113,d113_9,h,3,0.131).
 1271atm(d113,d113_10,h,3,0.131).
 1272atm(d113,d113_11,c,22,-0.129).
 1273atm(d113,d113_12,c,22,-0.13).
 1274atm(d113,d113_13,c,22,-0.13).
 1275atm(d113,d113_14,c,22,0.0).
 1276atm(d113,d113_15,c,22,-0.13).
 1277atm(d113,d113_16,c,22,-0.13).
 1278atm(d113,d113_17,h,3,0.13).
 1279atm(d113,d113_18,h,3,0.13).
 1280atm(d113,d113_19,h,3,0.13).
 1281atm(d113,d113_20,h,3,0.13).
 1282atm(d113,d113_21,c,10,0.0).
 1283atm(d113,d113_22,c,10,-0.1).
 1284atm(d113,d113_23,c,10,-0.1).
 1285atm(d113,d113_24,h,3,0.05).
 1286atm(d113,d113_25,h,3,0.05).
 1287atm(d113,d113_26,h,3,0.05).
 1288atm(d113,d113_27,h,3,0.05).
 1289atm(d113,d113_28,h,3,0.05).
 1290atm(d113,d113_29,c,10,-0.1).
 1291atm(d113,d113_30,c,10,-0.1).
 1292atm(d113,d113_31,h,3,0.05).
 1293atm(d113,d113_32,h,3,0.05).
 1294atm(d113,d113_33,h,3,0.05).
 1295atm(d113,d113_34,h,3,0.05).
 1296atm(d113,d113_35,h,3,0.05).
 1297atm(d113,d113_36,c,10,0.401).
 1298atm(d113,d113_37,h,3,0.1).
 1299atm(d113,d113_38,cl,93,-0.199).
 1300atm(d113,d113_39,cl,93,-0.199).
 1301atm(d113,d113_40,h,3,0.05).
 1302atm(d114,d114_1,c,22,-0.03).
 1303atm(d114,d114_2,n,35,-0.44).
 1304atm(d114,d114_3,c,22,0.2).
 1305atm(d114,d114_4,c,22,-0.03).
 1306atm(d114,d114_5,c,22,0.3).
 1307atm(d114,d114_6,c,22,-0.03).
 1308atm(d114,d114_7,cl,93,-0.1).
 1309atm(d114,d114_8,n,32,-0.68).
 1310atm(d114,d114_9,cl,93,-0.1).
 1311atm(d114,d114_10,c,14,0.88).
 1312atm(d114,d114_11,o,45,-0.57).
 1313atm(d114,d114_12,cl,93,-0.1).
 1314atm(d114,d114_13,h,1,0.43).
 1315atm(d114,d114_14,h,1,0.43).
 1316atm(d114,d114_15,o,51,-0.51).
 1317atm(d114,d114_16,h,1,0.35).
 1318atm(d115,d115_1,sn,113,0.8).
 1319atm(d115,d115_2,cl,93,-0.4).
 1320atm(d115,d115_3,cl,93,-0.4).
 1321atm(d116,d116_1,c,22,-0.102).
 1322atm(d116,d116_2,c,22,-0.102).
 1323atm(d116,d116_3,c,22,-0.102).
 1324atm(d116,d116_4,c,22,-0.102).
 1325atm(d116,d116_5,c,22,-0.102).
 1326atm(d116,d116_6,c,22,-0.102).
 1327atm(d116,d116_7,h,3,0.157).
 1328atm(d116,d116_8,h,3,0.157).
 1329atm(d116,d116_9,h,3,0.157).
 1330atm(d116,d116_10,h,3,0.157).
 1331atm(d116,d116_11,c,22,-0.102).
 1332atm(d116,d116_12,c,22,-0.102).
 1333atm(d116,d116_13,c,22,-0.102).
 1334atm(d116,d116_14,c,22,-0.102).
 1335atm(d116,d116_15,c,22,-0.102).
 1336atm(d116,d116_16,c,22,-0.102).
 1337atm(d116,d116_17,h,3,0.157).
 1338atm(d116,d116_18,h,3,0.157).
 1339atm(d116,d116_19,h,3,0.157).
 1340atm(d116,d116_20,h,3,0.157).
 1341atm(d116,d116_21,c,10,0.027).
 1342atm(d116,d116_22,c,10,0.427).
 1343atm(d116,d116_23,h,3,0.127).
 1344atm(d116,d116_24,cl,93,-0.173).
 1345atm(d116,d116_25,cl,93,-0.172).
 1346atm(d116,d116_26,h,3,0.078).
 1347atm(d116,d116_27,cl,93,-0.173).
 1348atm(d116,d116_28,cl,93,-0.173).
 1349atm(d117,d117_1,c,17,0.204).
 1350atm(d117,d117_2,c,17,-0.196).
 1351atm(d117,d117_3,c,10,0.104).
 1352atm(d117,d117_4,c,10,0.104).
 1353atm(d117,d117_5,c,16,-0.196).
 1354atm(d117,d117_6,c,16,0.004).
 1355atm(d117,d117_7,n,36,-0.297).
 1356atm(d117,d117_8,c,10,0.303).
 1357atm(d117,d117_9,n,36,-0.297).
 1358atm(d117,d117_10,s,77,0.353).
 1359atm(d117,d117_11,h,3,0.054).
 1360atm(d117,d117_12,h,3,0.054).
 1361atm(d117,d117_13,h,3,0.054).
 1362atm(d117,d117_14,h,3,0.054).
 1363atm(d117,d117_15,h,3,0.104).
 1364atm(d117,d117_16,h,3,0.104).
 1365atm(d117,d117_17,s,77,0.353).
 1366atm(d117,d117_18,cl,93,-0.196).
 1367atm(d117,d117_19,o,40,-0.246).
 1368atm(d117,d117_20,o,40,-0.247).
 1369atm(d117,d117_21,h,1,0.154).
 1370atm(d117,d117_22,h,1,0.154).
 1371atm(d117,d117_23,n,36,-0.297).
 1372atm(d117,d117_24,o,40,-0.247).
 1373atm(d117,d117_25,o,40,-0.246).
 1374atm(d117,d117_26,h,1,0.154).
 1375atm(d117,d117_27,h,1,0.154).
 1376atm(d118,d118_1,c,22,-0.019).
 1377atm(d118,d118_2,n,35,-0.659).
 1378atm(d118,d118_3,c,22,0.98).
 1379atm(d118,d118_4,n,35,-0.659).
 1380atm(d118,d118_5,c,22,-0.019).
 1381atm(d118,d118_6,n,35,-0.659).
 1382atm(d118,d118_7,c,22,-0.019).
 1383atm(d118,d118_8,c,22,-0.019).
 1384atm(d118,d118_9,c,22,-0.019).
 1385atm(d118,d118_10,c,22,-0.019).
 1386atm(d118,d118_11,c,22,-0.019).
 1387atm(d118,d118_12,c,22,0.311).
 1388atm(d118,d118_13,h,3,0.241).
 1389atm(d118,d118_14,h,3,0.241).
 1390atm(d118,d118_15,h,3,0.241).
 1391atm(d118,d118_16,h,3,0.241).
 1392atm(d118,d118_17,n,32,-0.289).
 1393atm(d118,d118_18,cl,93,-0.089).
 1394atm(d118,d118_19,cl,93,-0.089).
 1395atm(d118,d118_20,cl,93,-0.089).
 1396atm(d118,d118_21,h,1,0.411).
 1397atm(d119,d119_1,n,36,-0.327).
 1398atm(d119,d119_2,c,10,0.073).
 1399atm(d119,d119_3,h,3,0.023).
 1400atm(d119,d119_4,h,3,0.023).
 1401atm(d119,d119_5,h,3,0.022).
 1402atm(d119,d119_6,c,10,0.073).
 1403atm(d119,d119_7,h,3,0.022).
 1404atm(d119,d119_8,h,3,0.022).
 1405atm(d119,d119_9,h,3,0.023).
 1406atm(d119,d119_10,c,10,0.073).
 1407atm(d119,d119_11,h,3,0.022).
 1408atm(d119,d119_12,h,3,0.022).
 1409atm(d119,d119_13,h,3,0.022).
 1410atm(d119,d119_14,c,10,-0.027).
 1411atm(d119,d119_15,c,10,0.073).
 1412atm(d119,d119_16,h,3,0.022).
 1413atm(d119,d119_17,h,3,0.022).
 1414atm(d119,d119_18,cl,93,-0.227).
 1415atm(d119,d119_19,h,3,0.022).
 1416atm(d119,d119_20,h,3,0.022).
 1417atm(d12,d12_1,c,22,-0.137).
 1418atm(d12,d12_2,c,22,-0.187).
 1419atm(d12,d12_3,c,22,0.193).
 1420atm(d12,d12_4,c,22,-0.137).
 1421atm(d12,d12_5,c,22,0.193).
 1422atm(d12,d12_6,c,22,-0.137).
 1423atm(d12,d12_7,h,3,0.123).
 1424atm(d12,d12_8,h,3,0.123).
 1425atm(d12,d12_9,h,3,0.123).
 1426atm(d12,d12_10,n,32,-0.786).
 1427atm(d12,d12_11,n,32,-0.786).
 1428atm(d12,d12_12,h,1,0.323).
 1429atm(d12,d12_13,h,1,0.323).
 1430atm(d12,d12_14,h,1,0.323).
 1431atm(d12,d12_15,h,1,0.324).
 1432atm(d12,d12_16,c,10,-0.007).
 1433atm(d12,d12_17,h,3,0.043).
 1434atm(d12,d12_18,h,3,0.043).
 1435atm(d12,d12_19,h,3,0.043).
 1436atm(d120,d120_1,c,22,-0.075).
 1437atm(d120,d120_2,c,22,-0.075).
 1438atm(d120,d120_3,c,22,-0.075).
 1439atm(d120,d120_4,c,22,-0.075).
 1440atm(d120,d120_5,c,22,-0.075).
 1441atm(d120,d120_6,c,22,-0.075).
 1442atm(d120,d120_7,h,3,0.185).
 1443atm(d120,d120_8,h,3,0.185).
 1444atm(d120,d120_9,h,3,0.185).
 1445atm(d120,d120_10,h,3,0.185).
 1446atm(d120,d120_11,cl,93,-0.145).
 1447atm(d120,d120_12,cl,93,-0.145).
 1448atm(d121,d121_1,c,16,-0.114).
 1449atm(d121,d121_2,c,10,-0.014).
 1450atm(d121,d121_3,c,10,-0.064).
 1451atm(d121,d121_4,c,10,-0.064).
 1452atm(d121,d121_5,c,10,-0.014).
 1453atm(d121,d121_6,c,16,-0.114).
 1454atm(d121,d121_7,c,10,-0.014).
 1455atm(d121,d121_8,c,191,-0.014).
 1456atm(d121,d121_9,c,191,-0.014).
 1457atm(d121,d121_10,c,10,-0.014).
 1458atm(d121,d121_11,h,3,0.056).
 1459atm(d121,d121_12,h,3,0.056).
 1460atm(d121,d121_13,cl,93,-0.114).
 1461atm(d121,d121_14,cl,93,-0.114).
 1462atm(d121,d121_15,cl,93,-0.114).
 1463atm(d121,d121_16,cl,93,-0.114).
 1464atm(d121,d121_17,o,50,-0.283).
 1465atm(d121,d121_18,h,3,0.137).
 1466atm(d121,d121_19,h,3,0.137).
 1467atm(d121,d121_20,c,10,-0.014).
 1468atm(d121,d121_21,h,3,0.137).
 1469atm(d121,d121_22,h,3,0.137).
 1470atm(d121,d121_23,h,3,0.137).
 1471atm(d121,d121_24,h,3,0.137).
 1472atm(d121,d121_25,c,10,0.487).
 1473atm(d121,d121_26,cl,93,-0.114).
 1474atm(d121,d121_27,cl,93,-0.114).
 1475atm(d122,d122_1,c,22,0.176).
 1476atm(d122,d122_2,c,22,-0.133).
 1477atm(d122,d122_3,c,22,-0.133).
 1478atm(d122,d122_4,c,22,-0.133).
 1479atm(d122,d122_5,c,22,-0.133).
 1480atm(d122,d122_6,c,22,-0.134).
 1481atm(d122,d122_7,h,3,0.127).
 1482atm(d122,d122_8,h,3,0.127).
 1483atm(d122,d122_9,h,3,0.127).
 1484atm(d122,d122_10,h,3,0.127).
 1485atm(d122,d122_11,c,22,-0.134).
 1486atm(d122,d122_12,c,22,-0.134).
 1487atm(d122,d122_13,c,22,0.176).
 1488atm(d122,d122_14,c,22,-0.133).
 1489atm(d122,d122_15,c,22,-0.133).
 1490atm(d122,d122_16,c,22,-0.134).
 1491atm(d122,d122_17,h,3,0.127).
 1492atm(d122,d122_18,h,3,0.127).
 1493atm(d122,d122_19,h,3,0.127).
 1494atm(d122,d122_20,h,3,0.127).
 1495atm(d122,d122_21,c,10,-0.003).
 1496atm(d122,d122_22,c,10,0.496).
 1497atm(d122,d122_23,h,3,0.097).
 1498atm(d122,d122_24,cl,93,-0.204).
 1499atm(d122,d122_25,cl,93,-0.204).
 1500atm(d122,d122_26,cl,93,-0.204).
 1501atm(d122,d122_27,o,50,-0.234).
 1502atm(d122,d122_28,c,10,0.087).
 1503atm(d122,d122_29,h,3,0.047).
 1504atm(d122,d122_30,h,3,0.047).
 1505atm(d122,d122_31,h,3,0.047).
 1506atm(d122,d122_32,o,50,-0.234).
 1507atm(d122,d122_33,c,10,0.087).
 1508atm(d122,d122_34,h,3,0.047).
 1509atm(d122,d122_35,h,3,0.047).
 1510atm(d122,d122_36,h,3,0.047).
 1511atm(d123,d123_1,c,10,-0.138).
 1512atm(d123,d123_2,c,10,-0.088).
 1513atm(d123,d123_3,h,3,0.062).
 1514atm(d123,d123_4,h,3,0.062).
 1515atm(d123,d123_5,h,3,0.062).
 1516atm(d123,d123_6,c,10,-0.088).
 1517atm(d123,d123_7,h,3,0.062).
 1518atm(d123,d123_8,h,3,0.062).
 1519atm(d123,d123_9,c,14,0.612).
 1520atm(d123,d123_10,br,94,-0.138).
 1521atm(d123,d123_11,c,10,-0.088).
 1522atm(d123,d123_12,c,10,-0.138).
 1523atm(d123,d123_13,h,3,0.062).
 1524atm(d123,d123_14,h,3,0.062).
 1525atm(d123,d123_15,h,3,0.062).
 1526atm(d123,d123_16,h,3,0.062).
 1527atm(d123,d123_17,h,3,0.062).
 1528atm(d123,d123_18,n,32,-0.388).
 1529atm(d123,d123_19,c,14,0.612).
 1530atm(d123,d123_20,n,32,-0.588).
 1531atm(d123,d123_21,o,40,-0.538).
 1532atm(d123,d123_22,h,1,0.262).
 1533atm(d123,d123_23,o,40,-0.538).
 1534atm(d123,d123_24,h,1,0.312).
 1535atm(d123,d123_25,h,1,0.312).
 1536atm(d124,d124_1,n,32,-0.378).
 1537atm(d124,d124_2,c,14,0.622).
 1538atm(d124,d124_3,n,32,-0.378).
 1539atm(d124,d124_4,o,40,-0.528).
 1540atm(d124,d124_5,s,77,0.372).
 1541atm(d124,d124_6,h,1,0.322).
 1542atm(d124,d124_7,o,40,-0.228).
 1543atm(d124,d124_8,o,40,-0.228).
 1544atm(d124,d124_9,c,22,-0.108).
 1545atm(d124,d124_10,c,22,-0.108).
 1546atm(d124,d124_11,c,22,-0.108).
 1547atm(d124,d124_12,c,22,-0.108).
 1548atm(d124,d124_13,c,22,-0.108).
 1549atm(d124,d124_14,c,22,-0.108).
 1550atm(d124,d124_15,h,3,0.152).
 1551atm(d124,d124_16,h,3,0.152).
 1552atm(d124,d124_17,h,3,0.152).
 1553atm(d124,d124_18,h,3,0.152).
 1554atm(d124,d124_19,cl,93,-0.178).
 1555atm(d124,d124_20,c,10,0.022).
 1556atm(d124,d124_21,h,1,0.322).
 1557atm(d124,d124_22,c,10,-0.078).
 1558atm(d124,d124_23,h,3,0.072).
 1559atm(d124,d124_24,h,3,0.072).
 1560atm(d124,d124_25,c,10,-0.128).
 1561atm(d124,d124_26,h,3,0.072).
 1562atm(d124,d124_27,h,3,0.072).
 1563atm(d124,d124_28,h,3,0.072).
 1564atm(d124,d124_29,h,3,0.072).
 1565atm(d124,d124_30,h,3,0.072).
 1566atm(d125,d125_1,c,22,-0.097).
 1567atm(d125,d125_2,c,22,-0.097).
 1568atm(d125,d125_3,c,22,-0.097).
 1569atm(d125,d125_4,c,22,-0.097).
 1570atm(d125,d125_5,c,22,-0.097).
 1571atm(d125,d125_6,c,22,-0.097).
 1572atm(d125,d125_7,h,3,0.163).
 1573atm(d125,d125_8,h,3,0.163).
 1574atm(d125,d125_9,h,3,0.163).
 1575atm(d125,d125_10,h,3,0.163).
 1576atm(d125,d125_11,c,22,-0.097).
 1577atm(d125,d125_12,c,22,-0.097).
 1578atm(d125,d125_13,c,22,-0.097).
 1579atm(d125,d125_14,c,22,-0.097).
 1580atm(d125,d125_15,c,22,-0.097).
 1581atm(d125,d125_16,c,22,-0.097).
 1582atm(d125,d125_17,h,3,0.163).
 1583atm(d125,d125_18,h,3,0.163).
 1584atm(d125,d125_19,h,3,0.163).
 1585atm(d125,d125_20,h,3,0.163).
 1586atm(d125,d125_21,c,10,0.033).
 1587atm(d125,d125_22,c,10,0.532).
 1588atm(d125,d125_23,h,3,0.133).
 1589atm(d125,d125_24,cl,93,-0.167).
 1590atm(d125,d125_25,cl,93,-0.167).
 1591atm(d125,d125_26,cl,93,-0.168).
 1592atm(d125,d125_27,cl,93,-0.168).
 1593atm(d125,d125_28,cl,93,-0.168).
 1594atm(d126,d126_1,c,10,0.15).
 1595atm(d126,d126_2,c,10,0.15).
 1596atm(d126,d126_3,c,10,0.15).
 1597atm(d126,d126_4,c,10,0.15).
 1598atm(d126,d126_5,c,10,0.15).
 1599atm(d126,d126_6,c,10,0.15).
 1600atm(d126,d126_7,cl,93,-0.2).
 1601atm(d126,d126_8,cl,93,-0.2).
 1602atm(d126,d126_9,cl,93,-0.2).
 1603atm(d126,d126_10,cl,93,-0.2).
 1604atm(d126,d126_11,cl,93,-0.2).
 1605atm(d126,d126_12,cl,93,-0.2).
 1606atm(d126,d126_13,h,3,0.05).
 1607atm(d126,d126_14,h,3,0.05).
 1608atm(d126,d126_15,h,3,0.05).
 1609atm(d126,d126_16,h,3,0.05).
 1610atm(d126,d126_17,h,3,0.05).
 1611atm(d126,d126_18,h,3,0.05).
 1612atm(d127,d127_1,c,22,-0.003).
 1613atm(d127,d127_2,c,22,-0.003).
 1614atm(d127,d127_3,c,22,-0.003).
 1615atm(d127,d127_4,c,22,-0.003).
 1616atm(d127,d127_5,c,22,-0.003).
 1617atm(d127,d127_6,c,22,-0.003).
 1618atm(d127,d127_7,cl,93,-0.073).
 1619atm(d127,d127_8,cl,93,-0.073).
 1620atm(d127,d127_9,cl,93,-0.073).
 1621atm(d127,d127_10,cl,93,-0.073).
 1622atm(d127,d127_11,cl,93,-0.073).
 1623atm(d127,d127_12,n,38,0.928).
 1624atm(d127,d127_13,o,40,-0.272).
 1625atm(d127,d127_14,o,40,-0.273).
 1626atm(d128,d128_1,c,10,-0.026).
 1627atm(d128,d128_2,c,10,-0.076).
 1628atm(d128,d128_3,c,10,-0.026).
 1629atm(d128,d128_4,c,10,0.225).
 1630atm(d128,d128_5,cl,93,-0.125).
 1631atm(d128,d128_6,c,10,-0.026).
 1632atm(d128,d128_7,h,3,0.124).
 1633atm(d128,d128_8,c,10,-0.026).
 1634atm(d128,d128_9,h,3,0.044).
 1635atm(d128,d128_10,c,10,-0.026).
 1636atm(d128,d128_11,c,191,-0.026).
 1637atm(d128,d128_12,c,191,-0.026).
 1638atm(d128,d128_13,o,50,-0.295).
 1639atm(d128,d128_14,h,3,0.124).
 1640atm(d128,d128_15,h,3,0.125).
 1641atm(d128,d128_16,c,10,-0.076).
 1642atm(d128,d128_17,h,3,0.125).
 1643atm(d128,d128_18,c,10,0.475).
 1644atm(d128,d128_19,cl,93,-0.125).
 1645atm(d128,d128_20,cl,93,-0.125).
 1646atm(d128,d128_21,cl,93,-0.125).
 1647atm(d128,d128_22,cl,93,-0.125).
 1648atm(d128,d128_23,c,10,-0.076).
 1649atm(d128,d128_24,h,3,0.044).
 1650atm(d128,d128_25,h,3,0.125).
 1651atm(d128,d128_26,h,3,0.044).
 1652atm(d128,d128_27,cl,93,-0.125).
 1653atm(d129,d129_1,cl,93,-0.224).
 1654atm(d129,d129_2,c,16,0.376).
 1655atm(d129,d129_3,cl,93,-0.224).
 1656atm(d129,d129_4,c,16,-0.224).
 1657atm(d129,d129_5,c,10,0.067).
 1658atm(d129,d129_6,h,3,0.027).
 1659atm(d129,d129_7,h,3,0.027).
 1660atm(d129,d129_8,h,3,0.027).
 1661atm(d129,d129_9,c,10,0.067).
 1662atm(d129,d129_10,h,3,0.027).
 1663atm(d129,d129_11,h,3,0.027).
 1664atm(d129,d129_12,h,3,0.027).
 1665atm(d13,d13_1,c,22,-0.133).
 1666atm(d13,d13_2,c,22,0.196).
 1667atm(d13,d13_3,c,22,-0.134).
 1668atm(d13,d13_4,c,22,-0.133).
 1669atm(d13,d13_5,c,22,0.196).
 1670atm(d13,d13_6,c,22,-0.133).
 1671atm(d13,d13_7,h,3,0.127).
 1672atm(d13,d13_8,h,3,0.127).
 1673atm(d13,d13_9,h,3,0.127).
 1674atm(d13,d13_10,n,32,-0.404).
 1675atm(d13,d13_11,n,38,0.796).
 1676atm(d13,d13_12,n,32,-0.404).
 1677atm(d13,d13_13,c,10,-0.003).
 1678atm(d13,d13_14,h,3,0.047).
 1679atm(d13,d13_15,h,3,0.047).
 1680atm(d13,d13_16,h,3,0.047).
 1681atm(d13,d13_17,h,1,0.296).
 1682atm(d13,d13_18,o,40,-0.404).
 1683atm(d13,d13_19,o,40,-0.404).
 1684atm(d13,d13_20,c,10,-0.003).
 1685atm(d13,d13_21,c,10,0.166).
 1686atm(d13,d13_22,h,3,0.047).
 1687atm(d13,d13_23,h,3,0.047).
 1688atm(d13,d13_24,o,45,-0.654).
 1689atm(d13,d13_25,h,3,0.037).
 1690atm(d13,d13_26,h,3,0.037).
 1691atm(d13,d13_27,c,10,-0.003).
 1692atm(d13,d13_28,c,10,0.166).
 1693atm(d13,d13_29,h,3,0.047).
 1694atm(d13,d13_30,h,3,0.047).
 1695atm(d13,d13_31,o,45,-0.654).
 1696atm(d13,d13_32,h,3,0.037).
 1697atm(d13,d13_33,h,3,0.037).
 1698atm(d13,d13_34,h,8,0.396).
 1699atm(d13,d13_35,h,8,0.396).
 1700atm(d130,d130_1,c,22,-0.093).
 1701atm(d130,d130_2,c,22,-0.093).
 1702atm(d130,d130_3,c,22,-0.093).
 1703atm(d130,d130_4,c,22,0.137).
 1704atm(d130,d130_5,c,22,-0.093).
 1705atm(d130,d130_6,c,22,-0.093).
 1706atm(d130,d130_7,h,3,0.167).
 1707atm(d130,d130_8,h,3,0.167).
 1708atm(d130,d130_9,h,3,0.167).
 1709atm(d130,d130_10,h,3,0.167).
 1710atm(d130,d130_11,c,16,-0.163).
 1711atm(d130,d130_12,cl,93,-0.163).
 1712atm(d130,d130_13,c,16,-0.163).
 1713atm(d130,d130_14,h,3,0.137).
 1714atm(d130,d130_15,c,19,0.468).
 1715atm(d130,d130_16,c,19,0.468).
 1716atm(d130,d130_17,n,31,-0.462).
 1717atm(d130,d130_18,n,31,-0.462).
 1718atm(d131,d131_1,c,22,-0.06).
 1719atm(d131,d131_2,c,22,-0.06).
 1720atm(d131,d131_3,c,22,-0.06).
 1721atm(d131,d131_4,c,22,-0.06).
 1722atm(d131,d131_5,c,22,0.25).
 1723atm(d131,d131_6,c,22,-0.06).
 1724atm(d131,d131_7,cl,93,-0.13).
 1725atm(d131,d131_8,cl,93,-0.13).
 1726atm(d131,d131_9,o,50,-0.16).
 1727atm(d131,d131_10,c,10,0.16).
 1728atm(d131,d131_11,h,3,0.12).
 1729atm(d131,d131_12,h,3,0.12).
 1730atm(d131,d131_13,h,3,0.12).
 1731atm(d131,d131_14,cl,93,-0.13).
 1732atm(d131,d131_15,cl,93,-0.13).
 1733atm(d131,d131_16,n,38,0.87).
 1734atm(d131,d131_17,o,40,-0.33).
 1735atm(d131,d131_18,o,40,-0.33).
 1736atm(d132,d132_1,c,22,0.247).
 1737atm(d132,d132_2,n,35,-0.543).
 1738atm(d132,d132_3,c,22,0.497).
 1739atm(d132,d132_4,c,22,-0.132).
 1740atm(d132,d132_5,c,22,-0.132).
 1741atm(d132,d132_6,c,22,-0.132).
 1742atm(d132,d132_7,h,3,0.128).
 1743atm(d132,d132_8,h,3,0.128).
 1744atm(d132,d132_9,h,3,0.128).
 1745atm(d132,d132_10,h,3,0.128).
 1746atm(d132,d132_11,c,22,-0.132).
 1747atm(d132,d132_12,c,22,-0.132).
 1748atm(d132,d132_13,c,22,-0.132).
 1749atm(d132,d132_14,c,22,-0.132).
 1750atm(d132,d132_15,c,22,-0.132).
 1751atm(d132,d132_16,c,22,-0.132).
 1752atm(d132,d132_17,h,3,0.128).
 1753atm(d132,d132_18,h,3,0.128).
 1754atm(d132,d132_19,h,3,0.128).
 1755atm(d132,d132_20,h,3,0.128).
 1756atm(d132,d132_21,c,10,-0.002).
 1757atm(d132,d132_22,c,10,-0.102).
 1758atm(d132,d132_23,h,3,0.098).
 1759atm(d132,d132_24,c,10,-0.002).
 1760atm(d132,d132_25,h,3,0.048).
 1761atm(d132,d132_26,h,3,0.048).
 1762atm(d132,d132_27,n,36,-0.303).
 1763atm(d132,d132_28,h,3,0.048).
 1764atm(d132,d132_29,h,3,0.048).
 1765atm(d132,d132_30,c,10,-0.002).
 1766atm(d132,d132_31,h,3,0.048).
 1767atm(d132,d132_32,h,3,0.048).
 1768atm(d132,d132_33,h,3,0.048).
 1769atm(d132,d132_34,c,10,-0.002).
 1770atm(d132,d132_35,h,3,0.048).
 1771atm(d132,d132_36,h,3,0.048).
 1772atm(d132,d132_37,h,3,0.048).
 1773atm(d132,d132_38,cl,93,-0.202).
 1774atm(d133,d133_1,c,22,-0.079).
 1775atm(d133,d133_2,c,22,-0.079).
 1776atm(d133,d133_3,c,22,-0.079).
 1777atm(d133,d133_4,c,22,-0.079).
 1778atm(d133,d133_5,c,22,0.3).
 1779atm(d133,d133_6,c,22,-0.079).
 1780atm(d133,d133_7,h,3,0.181).
 1781atm(d133,d133_8,h,3,0.181).
 1782atm(d133,d133_9,h,3,0.181).
 1783atm(d133,d133_10,o,45,-0.6).
 1784atm(d133,d133_11,cl,93,-0.149).
 1785atm(d133,d133_12,cl,93,-0.149).
 1786atm(d133,d133_13,h,8,0.45).
 1787atm(d134,d134_1,c,22,-0.13).
 1788atm(d134,d134_2,c,22,-0.13).
 1789atm(d134,d134_3,c,22,-0.13).
 1790atm(d134,d134_4,c,22,-0.13).
 1791atm(d134,d134_5,c,22,-0.13).
 1792atm(d134,d134_6,c,22,-0.13).
 1793atm(d134,d134_7,h,3,0.13).
 1794atm(d134,d134_8,h,3,0.13).
 1795atm(d134,d134_9,h,3,0.13).
 1796atm(d134,d134_10,h,3,0.13).
 1797atm(d134,d134_11,h,3,0.13).
 1798atm(d134,d134_12,h,3,0.13).
 1799atm(d135,d135_1,c,22,-0.123).
 1800atm(d135,d135_2,c,22,-0.122).
 1801atm(d135,d135_3,c,22,0.007).
 1802atm(d135,d135_4,c,22,0.007).
 1803atm(d135,d135_5,c,22,-0.123).
 1804atm(d135,d135_6,c,22,-0.123).
 1805atm(d135,d135_7,h,3,0.138).
 1806atm(d135,d135_8,h,3,0.138).
 1807atm(d135,d135_9,h,3,0.138).
 1808atm(d135,d135_10,h,3,0.138).
 1809atm(d135,d135_11,c,14,0.708).
 1810atm(d135,d135_12,c,10,-0.142).
 1811atm(d135,d135_13,o,51,-0.542).
 1812atm(d135,d135_14,c,10,-0.093).
 1813atm(d135,d135_15,c,10,-0.093).
 1814atm(d135,d135_16,c,10,-0.142).
 1815atm(d135,d135_17,h,3,0.057).
 1816atm(d135,d135_18,h,3,0.057).
 1817atm(d135,d135_19,h,3,0.057).
 1818atm(d135,d135_20,h,3,0.057).
 1819atm(d135,d135_21,h,3,0.057).
 1820atm(d135,d135_22,c,10,-0.093).
 1821atm(d135,d135_23,h,3,0.057).
 1822atm(d135,d135_24,h,3,0.057).
 1823atm(d135,d135_25,c,10,-0.093).
 1824atm(d135,d135_26,h,3,0.057).
 1825atm(d135,d135_27,h,3,0.057).
 1826atm(d135,d135_28,c,10,-0.142).
 1827atm(d135,d135_29,h,3,0.057).
 1828atm(d135,d135_30,h,3,0.057).
 1829atm(d135,d135_31,h,3,0.057).
 1830atm(d135,d135_32,h,3,0.057).
 1831atm(d135,d135_33,h,3,0.057).
 1832atm(d135,d135_34,o,49,-0.642).
 1833atm(d135,d135_35,c,10,0.258).
 1834atm(d135,d135_36,h,3,0.107).
 1835atm(d135,d135_37,h,3,0.107).
 1836atm(d135,d135_38,h,3,-0.023).
 1837atm(d135,d135_39,c,14,0.708).
 1838atm(d135,d135_40,o,49,-0.642).
 1839atm(d135,d135_41,c,10,0.258).
 1840atm(d135,d135_42,c,10,-0.142).
 1841atm(d135,d135_43,h,3,0.107).
 1842atm(d135,d135_44,h,3,0.107).
 1843atm(d135,d135_45,c,10,-0.142).
 1844atm(d135,d135_46,h,3,0.057).
 1845atm(d135,d135_47,h,3,0.057).
 1846atm(d135,d135_48,h,3,0.057).
 1847atm(d135,d135_49,c,10,-0.093).
 1848atm(d135,d135_50,h,3,-0.023).
 1849atm(d135,d135_51,c,10,-0.093).
 1850atm(d135,d135_52,h,3,0.057).
 1851atm(d135,d135_53,h,3,0.057).
 1852atm(d135,d135_54,c,10,-0.093).
 1853atm(d135,d135_55,h,3,0.057).
 1854atm(d135,d135_56,h,3,0.057).
 1855atm(d135,d135_57,c,10,-0.142).
 1856atm(d135,d135_58,h,3,0.057).
 1857atm(d135,d135_59,h,3,0.057).
 1858atm(d135,d135_60,h,3,0.057).
 1859atm(d135,d135_61,h,3,0.057).
 1860atm(d135,d135_62,h,3,0.057).
 1861atm(d135,d135_63,o,51,-0.542).
 1862atm(d136,d136_1,n,36,-0.245).
 1863atm(d136,d136_2,c,10,-0.095).
 1864atm(d136,d136_3,c,14,0.834).
 1865atm(d136,d136_4,h,3,0.105).
 1866atm(d136,d136_5,h,3,0.105).
 1867atm(d136,d136_6,o,51,-0.556).
 1868atm(d136,d136_7,o,45,-0.616).
 1869atm(d136,d136_8,c,10,-0.095).
 1870atm(d136,d136_9,c,14,0.834).
 1871atm(d136,d136_10,h,3,0.105).
 1872atm(d136,d136_11,h,3,0.105).
 1873atm(d136,d136_12,o,51,-0.556).
 1874atm(d136,d136_13,o,45,-0.616).
 1875atm(d136,d136_14,c,10,-0.095).
 1876atm(d136,d136_15,c,14,0.834).
 1877atm(d136,d136_16,h,3,0.105).
 1878atm(d136,d136_17,h,3,0.105).
 1879atm(d136,d136_18,o,45,-0.616).
 1880atm(d136,d136_19,o,51,-0.556).
 1881atm(d136,d136_20,h,1,0.305).
 1882atm(d136,d136_21,h,1,0.304).
 1883atm(d136,d136_22,h,1,0.305).
 1884atm(d137,d137_1,c,22,0.177).
 1885atm(d137,d137_2,c,22,-0.133).
 1886atm(d137,d137_3,c,26,-0.043).
 1887atm(d137,d137_4,c,26,0.097).
 1888atm(d137,d137_5,c,22,-0.133).
 1889atm(d137,d137_6,c,22,-0.133).
 1890atm(d137,d137_7,h,3,0.127).
 1891atm(d137,d137_8,h,3,0.097).
 1892atm(d137,d137_9,h,3,0.127).
 1893atm(d137,d137_10,c,21,-0.003).
 1894atm(d137,d137_11,c,10,0.047).
 1895atm(d137,d137_12,n,36,-0.302).
 1896atm(d137,d137_13,c,10,-0.003).
 1897atm(d137,d137_14,c,10,-0.103).
 1898atm(d137,d137_15,c,21,-0.033).
 1899atm(d137,d137_16,h,3,0.047).
 1900atm(d137,d137_17,h,3,0.047).
 1901atm(d137,d137_18,h,3,0.047).
 1902atm(d137,d137_19,h,3,0.047).
 1903atm(d137,d137_20,n,34,-0.362).
 1904atm(d137,d137_21,o,50,-0.232).
 1905atm(d137,d137_22,c,10,0.087).
 1906atm(d137,d137_23,h,3,0.047).
 1907atm(d137,d137_24,h,3,0.047).
 1908atm(d137,d137_25,h,3,0.047).
 1909atm(d137,d137_26,c,10,-0.103).
 1910atm(d137,d137_27,c,10,-0.153).
 1911atm(d137,d137_28,c,10,-0.153).
 1912atm(d137,d137_29,c,10,-0.003).
 1913atm(d137,d137_30,h,3,0.047).
 1914atm(d137,d137_31,h,3,0.047).
 1915atm(d137,d137_32,h,3,0.047).
 1916atm(d137,d137_33,h,3,0.047).
 1917atm(d137,d137_34,h,3,0.047).
 1918atm(d137,d137_35,c,10,-0.103).
 1919atm(d137,d137_36,c,10,0.062).
 1920atm(d137,d137_37,c,10,0.248).
 1921atm(d137,d137_38,c,10,-0.103).
 1922atm(d137,d137_39,h,3,-0.033).
 1923atm(d137,d137_40,h,3,-0.033).
 1924atm(d137,d137_41,h,3,0.047).
 1925atm(d137,d137_42,h,3,0.047).
 1926atm(d137,d137_43,c,14,0.698).
 1927atm(d137,d137_44,h,3,0.077).
 1928atm(d137,d137_45,o,49,-0.652).
 1929atm(d137,d137_46,c,10,0.238).
 1930atm(d137,d137_47,h,3,0.097).
 1931atm(d137,d137_48,h,3,0.097).
 1932atm(d137,d137_49,h,3,0.097).
 1933atm(d137,d137_50,o,51,-0.552).
 1934atm(d137,d137_51,o,50,-0.372).
 1935atm(d137,d137_52,h,3,0.047).
 1936atm(d137,d137_53,c,10,0.017).
 1937atm(d137,d137_54,h,3,0.057).
 1938atm(d137,d137_55,h,3,0.057).
 1939atm(d137,d137_56,h,3,0.057).
 1940atm(d137,d137_57,o,49,-0.652).
 1941atm(d137,d137_58,h,3,0.177).
 1942atm(d137,d137_59,c,14,0.698).
 1943atm(d137,d137_60,c,22,-0.003).
 1944atm(d137,d137_61,c,22,-0.133).
 1945atm(d137,d137_62,c,22,0.178).
 1946atm(d137,d137_63,c,22,0.177).
 1947atm(d137,d137_64,c,22,0.177).
 1948atm(d137,d137_65,c,22,-0.133).
 1949atm(d137,d137_66,h,3,0.127).
 1950atm(d137,d137_67,h,3,0.127).
 1951atm(d137,d137_68,o,51,-0.552).
 1952atm(d137,d137_69,o,50,-0.232).
 1953atm(d137,d137_70,c,10,0.087).
 1954atm(d137,d137_71,h,3,0.047).
 1955atm(d137,d137_72,h,3,0.047).
 1956atm(d137,d137_73,h,3,0.047).
 1957atm(d137,d137_74,o,50,-0.232).
 1958atm(d137,d137_75,c,10,0.087).
 1959atm(d137,d137_76,h,3,0.047).
 1960atm(d137,d137_77,h,3,0.047).
 1961atm(d137,d137_78,h,3,0.047).
 1962atm(d137,d137_79,o,50,-0.232).
 1963atm(d137,d137_80,c,10,0.087).
 1964atm(d137,d137_81,h,3,0.047).
 1965atm(d137,d137_82,h,3,0.047).
 1966atm(d137,d137_83,h,3,0.047).
 1967atm(d137,d137_84,h,1,0.298).
 1968atm(d138,d138_1,c,22,-0.13).
 1969atm(d138,d138_2,c,22,0.25).
 1970atm(d138,d138_3,c,22,-0.13).
 1971atm(d138,d138_4,c,22,-0.13).
 1972atm(d138,d138_5,c,22,0.25).
 1973atm(d138,d138_6,c,22,-0.13).
 1974atm(d138,d138_7,h,3,0.13).
 1975atm(d138,d138_8,h,3,0.13).
 1976atm(d138,d138_9,h,3,0.13).
 1977atm(d138,d138_10,h,3,0.13).
 1978atm(d138,d138_11,o,45,-0.65).
 1979atm(d138,d138_12,o,45,-0.65).
 1980atm(d138,d138_13,h,8,0.4).
 1981atm(d138,d138_14,h,8,0.4).
 1982atm(d139,d139_1,c,10,-0.093).
 1983atm(d139,d139_2,c,10,-0.093).
 1984atm(d139,d139_3,c,10,-0.093).
 1985atm(d139,d139_4,h,3,0.057).
 1986atm(d139,d139_5,h,3,0.057).
 1987atm(d139,d139_6,c,10,-0.094).
 1988atm(d139,d139_7,h,3,0.057).
 1989atm(d139,d139_8,h,3,0.057).
 1990atm(d139,d139_9,c,10,-0.094).
 1991atm(d139,d139_10,h,3,0.057).
 1992atm(d139,d139_11,h,3,0.057).
 1993atm(d139,d139_12,c,10,-0.093).
 1994atm(d139,d139_13,h,3,0.057).
 1995atm(d139,d139_14,h,3,0.057).
 1996atm(d139,d139_15,c,10,-0.093).
 1997atm(d139,d139_16,h,3,0.057).
 1998atm(d139,d139_17,h,3,0.057).
 1999atm(d139,d139_18,c,10,-0.093).
 2000atm(d139,d139_19,h,3,0.057).
 2001atm(d139,d139_20,h,3,0.057).
 2002atm(d139,d139_21,c,10,-0.093).
 2003atm(d139,d139_22,h,3,0.057).
 2004atm(d139,d139_23,h,3,0.057).
 2005atm(d139,d139_24,c,10,-0.093).
 2006atm(d139,d139_25,h,3,0.057).
 2007atm(d139,d139_26,h,3,0.057).
 2008atm(d139,d139_27,c,14,0.786).
 2009atm(d139,d139_28,h,3,0.057).
 2010atm(d139,d139_29,h,3,0.057).
 2011atm(d139,d139_30,o,45,-0.664).
 2012atm(d139,d139_31,o,51,-0.604).
 2013atm(d139,d139_32,h,1,0.256).
 2014atm(d139,d139_33,n,36,-0.294).
 2015atm(d139,d139_34,h,3,0.057).
 2016atm(d139,d139_35,h,3,0.057).
 2017atm(d139,d139_36,h,1,0.156).
 2018atm(d139,d139_37,h,1,0.156).
 2019atm(d14,d14_1,c,22,-0.137).
 2020atm(d14,d14_2,c,22,-0.138).
 2021atm(d14,d14_3,c,22,0.193).
 2022atm(d14,d14_4,c,22,-0.138).
 2023atm(d14,d14_5,c,22,-0.138).
 2024atm(d14,d14_6,c,22,-0.138).
 2025atm(d14,d14_7,h,3,0.122).
 2026atm(d14,d14_8,h,3,0.122).
 2027atm(d14,d14_9,h,3,0.122).
 2028atm(d14,d14_10,h,3,0.122).
 2029atm(d14,d14_11,h,3,0.122).
 2030atm(d14,d14_12,n,32,-0.407).
 2031atm(d14,d14_13,n,32,-0.407).
 2032atm(d14,d14_14,c,22,0.193).
 2033atm(d14,d14_15,c,22,-0.138).
 2034atm(d14,d14_16,c,22,-0.138).
 2035atm(d14,d14_17,c,22,-0.137).
 2036atm(d14,d14_18,c,22,-0.138).
 2037atm(d14,d14_19,c,22,-0.138).
 2038atm(d14,d14_20,h,3,0.122).
 2039atm(d14,d14_21,h,3,0.122).
 2040atm(d14,d14_22,h,3,0.122).
 2041atm(d14,d14_23,h,3,0.122).
 2042atm(d14,d14_24,h,3,0.122).
 2043atm(d14,d14_25,h,1,0.293).
 2044atm(d14,d14_26,h,1,0.293).
 2045atm(d140,d140_1,c,22,0.25).
 2046atm(d140,d140_2,c,22,-0.131).
 2047atm(d140,d140_3,c,22,0.099).
 2048atm(d140,d140_4,c,22,-0.001).
 2049atm(d140,d140_5,c,22,0.25).
 2050atm(d140,d140_6,c,22,-0.131).
 2051atm(d140,d140_7,h,3,0.129).
 2052atm(d140,d140_8,h,3,0.129).
 2053atm(d140,d140_9,c,16,-0.2).
 2054atm(d140,d140_10,c,16,-0.2).
 2055atm(d140,d140_11,c,10,0.099).
 2056atm(d140,d140_12,c,10,-0.101).
 2057atm(d140,d140_13,h,3,0.049).
 2058atm(d140,d140_14,h,3,0.049).
 2059atm(d140,d140_15,c,10,-0.101).
 2060atm(d140,d140_16,h,3,0.049).
 2061atm(d140,d140_17,h,3,0.049).
 2062atm(d140,d140_18,c,14,0.58).
 2063atm(d140,d140_19,h,3,0.049).
 2064atm(d140,d140_20,h,3,0.049).
 2065atm(d140,d140_21,o,42,-0.58).
 2066atm(d140,d140_22,c,10,-0.101).
 2067atm(d140,d140_23,c,10,-0.101).
 2068atm(d140,d140_24,h,3,0.049).
 2069atm(d140,d140_25,h,3,0.049).
 2070atm(d140,d140_26,c,10,-0.101).
 2071atm(d140,d140_27,h,3,0.049).
 2072atm(d140,d140_28,h,3,0.049).
 2073atm(d140,d140_29,c,10,0.25).
 2074atm(d140,d140_30,h,3,0.049).
 2075atm(d140,d140_31,h,3,0.049).
 2076atm(d140,d140_32,c,10,-0.151).
 2077atm(d140,d140_33,h,3,0.049).
 2078atm(d140,d140_34,h,3,0.049).
 2079atm(d140,d140_35,h,3,0.049).
 2080atm(d140,d140_36,o,49,-0.65).
 2081atm(d140,d140_37,h,3,0.18).
 2082atm(d140,d140_38,c,14,0.7).
 2083atm(d140,d140_39,o,45,-0.65).
 2084atm(d140,d140_40,o,45,-0.65).
 2085atm(d140,d140_41,h,8,0.4).
 2086atm(d140,d140_42,h,8,0.4).
 2087atm(d140,d140_43,o,51,-0.55).
 2088atm(d140,d140_44,h,3,0.099).
 2089atm(d140,d140_45,h,3,0.099).
 2090atm(d141,d141_1,c,22,-0.137).
 2091atm(d141,d141_2,c,22,-0.137).
 2092atm(d141,d141_3,c,22,-0.137).
 2093atm(d141,d141_4,c,22,-0.137).
 2094atm(d141,d141_5,c,22,-0.137).
 2095atm(d141,d141_6,c,22,-0.137).
 2096atm(d141,d141_7,h,3,0.123).
 2097atm(d141,d141_8,h,3,0.123).
 2098atm(d141,d141_9,h,3,0.123).
 2099atm(d141,d141_10,h,3,0.123).
 2100atm(d141,d141_11,h,3,0.123).
 2101atm(d141,d141_12,c,10,0.223).
 2102atm(d141,d141_13,o,49,-0.458).
 2103atm(d141,d141_14,h,3,0.093).
 2104atm(d141,d141_15,h,3,0.093).
 2105atm(d141,d141_16,c,14,0.692).
 2106atm(d141,d141_17,c,10,-0.007).
 2107atm(d141,d141_18,h,3,0.043).
 2108atm(d141,d141_19,h,3,0.043).
 2109atm(d141,d141_20,h,3,0.043).
 2110atm(d141,d141_21,o,51,-0.558).
 2111atm(d142,d142_1,c,22,-0.075).
 2112atm(d142,d142_2,c,22,-0.075).
 2113atm(d142,d142_3,c,26,-0.045).
 2114atm(d142,d142_4,c,26,0.155).
 2115atm(d142,d142_5,c,22,-0.075).
 2116atm(d142,d142_6,c,22,-0.075).
 2117atm(d142,d142_7,h,3,0.185).
 2118atm(d142,d142_8,h,3,0.184).
 2119atm(d142,d142_9,h,3,0.185).
 2120atm(d142,d142_10,h,3,0.184).
 2121atm(d142,d142_11,n,34,-0.486).
 2122atm(d142,d142_12,c,21,0.055).
 2123atm(d142,d142_13,s,72,-0.175).
 2124atm(d142,d142_14,s,70,-0.246).
 2125atm(d142,d142_15,h,1,0.304).
 2126atm(d143,d143_1,c,22,-0.125).
 2127atm(d143,d143_2,c,22,-0.125).
 2128atm(d143,d143_3,c,22,0.005).
 2129atm(d143,d143_4,c,22,0.776).
 2130atm(d143,d143_5,n,35,-0.764).
 2131atm(d143,d143_6,c,22,0.505).
 2132atm(d143,d143_7,c,14,0.555).
 2133atm(d143,d143_8,c,16,-0.195).
 2134atm(d143,d143_9,c,16,-0.195).
 2135atm(d143,d143_10,n,32,-0.395).
 2136atm(d143,d143_11,h,3,0.135).
 2137atm(d143,d143_12,h,3,0.135).
 2138atm(d143,d143_13,o,40,-0.545).
 2139atm(d143,d143_14,c,10,0.005).
 2140atm(d143,d143_15,c,10,-0.095).
 2141atm(d143,d143_16,h,3,0.055).
 2142atm(d143,d143_17,h,3,0.055).
 2143atm(d143,d143_18,h,3,0.055).
 2144atm(d143,d143_19,h,3,0.055).
 2145atm(d143,d143_20,h,3,0.055).
 2146atm(d143,d143_21,c,14,0.786).
 2147atm(d143,d143_22,o,45,-0.664).
 2148atm(d143,d143_23,o,51,-0.604).
 2149atm(d143,d143_24,h,1,0.255).
 2150atm(d143,d143_25,c,10,0.005).
 2151atm(d143,d143_26,h,3,0.055).
 2152atm(d143,d143_27,h,3,0.055).
 2153atm(d143,d143_28,h,3,0.055).
 2154atm(d143,d143_29,h,3,0.105).
 2155atm(d144,d144_1,c,14,0.706).
 2156atm(d144,d144_2,o,49,-0.644).
 2157atm(d144,d144_3,c,10,0.256).
 2158atm(d144,d144_4,c,10,-0.144).
 2159atm(d144,d144_5,h,3,0.107).
 2160atm(d144,d144_6,h,3,0.106).
 2161atm(d144,d144_7,c,10,-0.093).
 2162atm(d144,d144_8,c,10,-0.144).
 2163atm(d144,d144_9,h,3,0.057).
 2164atm(d144,d144_10,h,3,0.057).
 2165atm(d144,d144_11,h,3,0.057).
 2166atm(d144,d144_12,h,3,0.057).
 2167atm(d144,d144_13,h,3,0.057).
 2168atm(d144,d144_14,c,10,-0.093).
 2169atm(d144,d144_15,h,3,-0.023).
 2170atm(d144,d144_16,c,10,-0.093).
 2171atm(d144,d144_17,h,3,0.057).
 2172atm(d144,d144_18,h,3,0.057).
 2173atm(d144,d144_19,c,10,-0.093).
 2174atm(d144,d144_20,h,3,0.057).
 2175atm(d144,d144_21,h,3,0.057).
 2176atm(d144,d144_22,c,10,-0.144).
 2177atm(d144,d144_23,h,3,0.057).
 2178atm(d144,d144_24,h,3,0.057).
 2179atm(d144,d144_25,h,3,0.057).
 2180atm(d144,d144_26,h,3,0.057).
 2181atm(d144,d144_27,h,3,0.057).
 2182atm(d144,d144_28,o,51,-0.544).
 2183atm(d144,d144_29,c,10,-0.093).
 2184atm(d144,d144_30,c,10,-0.093).
 2185atm(d144,d144_31,c,14,0.706).
 2186atm(d144,d144_32,o,51,-0.544).
 2187atm(d144,d144_33,o,49,-0.644).
 2188atm(d144,d144_34,c,10,0.256).
 2189atm(d144,d144_35,c,10,-0.144).
 2190atm(d144,d144_36,h,3,0.107).
 2191atm(d144,d144_37,h,3,0.106).
 2192atm(d144,d144_38,c,10,-0.093).
 2193atm(d144,d144_39,c,10,-0.144).
 2194atm(d144,d144_40,h,3,0.057).
 2195atm(d144,d144_41,h,3,0.057).
 2196atm(d144,d144_42,h,3,0.057).
 2197atm(d144,d144_43,h,3,0.057).
 2198atm(d144,d144_44,h,3,0.057).
 2199atm(d144,d144_45,c,10,-0.093).
 2200atm(d144,d144_46,h,3,-0.023).
 2201atm(d144,d144_47,c,10,-0.093).
 2202atm(d144,d144_48,h,3,0.057).
 2203atm(d144,d144_49,h,3,0.057).
 2204atm(d144,d144_50,c,10,-0.093).
 2205atm(d144,d144_51,h,3,0.057).
 2206atm(d144,d144_52,h,3,0.057).
 2207atm(d144,d144_53,c,10,-0.144).
 2208atm(d144,d144_54,h,3,0.057).
 2209atm(d144,d144_55,h,3,0.057).
 2210atm(d144,d144_56,h,3,0.057).
 2211atm(d144,d144_57,h,3,0.057).
 2212atm(d144,d144_58,h,3,0.057).
 2213atm(d144,d144_59,c,10,-0.093).
 2214atm(d144,d144_60,h,3,0.057).
 2215atm(d144,d144_61,h,3,0.057).
 2216atm(d144,d144_62,c,10,-0.093).
 2217atm(d144,d144_63,h,3,0.057).
 2218atm(d144,d144_64,h,3,0.057).
 2219atm(d144,d144_65,h,3,0.057).
 2220atm(d144,d144_66,h,3,0.057).
 2221atm(d144,d144_67,h,3,0.057).
 2222atm(d144,d144_68,h,3,0.057).
 2223atm(d145,d145_1,c,22,-0.124).
 2224atm(d145,d145_2,c,22,-0.124).
 2225atm(d145,d145_3,c,22,0.006).
 2226atm(d145,d145_4,c,22,0.006).
 2227atm(d145,d145_5,c,22,-0.124).
 2228atm(d145,d145_6,c,22,-0.124).
 2229atm(d145,d145_7,h,3,0.136).
 2230atm(d145,d145_8,h,3,0.136).
 2231atm(d145,d145_9,h,3,0.136).
 2232atm(d145,d145_10,h,3,0.136).
 2233atm(d145,d145_11,c,14,0.705).
 2234atm(d145,d145_12,c,10,0.255).
 2235atm(d145,d145_13,c,10,-0.094).
 2236atm(d145,d145_14,c,10,-0.094).
 2237atm(d145,d145_15,h,3,0.056).
 2238atm(d145,d145_16,h,3,0.056).
 2239atm(d145,d145_17,c,10,-0.144).
 2240atm(d145,d145_18,h,3,0.056).
 2241atm(d145,d145_19,h,3,0.056).
 2242atm(d145,d145_20,h,3,0.056).
 2243atm(d145,d145_21,h,3,0.056).
 2244atm(d145,d145_22,h,3,0.056).
 2245atm(d145,d145_23,o,51,-0.545).
 2246atm(d145,d145_24,c,14,0.705).
 2247atm(d145,d145_25,o,49,-0.645).
 2248atm(d145,d145_26,c,10,0.235).
 2249atm(d145,d145_27,o,51,-0.545).
 2250atm(d145,d145_28,o,49,-0.645).
 2251atm(d145,d145_29,h,3,0.106).
 2252atm(d145,d145_30,h,3,0.106).
 2253atm(d145,d145_31,c,22,-0.124).
 2254atm(d145,d145_32,h,3,0.106).
 2255atm(d145,d145_33,h,3,0.106).
 2256atm(d145,d145_34,c,22,-0.124).
 2257atm(d145,d145_35,c,22,-0.124).
 2258atm(d145,d145_36,c,22,-0.124).
 2259atm(d145,d145_37,c,22,-0.124).
 2260atm(d145,d145_38,c,22,-0.124).
 2261atm(d145,d145_39,h,3,0.136).
 2262atm(d145,d145_40,h,3,0.136).
 2263atm(d145,d145_41,h,3,0.136).
 2264atm(d145,d145_42,h,3,0.136).
 2265atm(d145,d145_43,h,3,0.136).
 2266atm(d146,d146_1,c,22,0.005).
 2267atm(d146,d146_2,c,22,-0.125).
 2268atm(d146,d146_3,c,22,0.186).
 2269atm(d146,d146_4,c,22,0.186).
 2270atm(d146,d146_5,c,22,-0.125).
 2271atm(d146,d146_6,c,22,-0.125).
 2272atm(d146,d146_7,h,3,0.136).
 2273atm(d146,d146_8,h,3,0.136).
 2274atm(d146,d146_9,h,3,0.136).
 2275atm(d146,d146_10,o,50,-0.224).
 2276atm(d146,d146_11,c,10,0.095).
 2277atm(d146,d146_12,o,50,-0.224).
 2278atm(d146,d146_13,h,3,0.055).
 2279atm(d146,d146_14,h,3,0.055).
 2280atm(d146,d146_15,c,10,-0.095).
 2281atm(d146,d146_16,c,10,-0.095).
 2282atm(d146,d146_17,h,3,0.055).
 2283atm(d146,d146_18,h,3,0.055).
 2284atm(d146,d146_19,c,10,-0.144).
 2285atm(d146,d146_20,h,3,0.055).
 2286atm(d146,d146_21,h,3,0.055).
 2287atm(d146,d146_22,h,3,0.055).
 2288atm(d146,d146_23,s,76,-0.045).
 2289atm(d146,d146_24,h,3,0.055).
 2290atm(d146,d146_25,c,10,-0.095).
 2291atm(d146,d146_26,o,40,-0.244).
 2292atm(d146,d146_27,c,10,-0.095).
 2293atm(d146,d146_28,h,3,0.055).
 2294atm(d146,d146_29,h,3,0.055).
 2295atm(d146,d146_30,c,10,-0.095).
 2296atm(d146,d146_31,h,3,0.055).
 2297atm(d146,d146_32,h,3,0.055).
 2298atm(d146,d146_33,c,10,-0.095).
 2299atm(d146,d146_34,h,3,0.055).
 2300atm(d146,d146_35,h,3,0.055).
 2301atm(d146,d146_36,c,10,-0.095).
 2302atm(d146,d146_37,h,3,0.055).
 2303atm(d146,d146_38,h,3,0.055).
 2304atm(d146,d146_39,c,10,-0.095).
 2305atm(d146,d146_40,h,3,0.055).
 2306atm(d146,d146_41,h,3,0.055).
 2307atm(d146,d146_42,c,10,-0.095).
 2308atm(d146,d146_43,h,3,0.055).
 2309atm(d146,d146_44,h,3,0.055).
 2310atm(d146,d146_45,c,10,-0.144).
 2311atm(d146,d146_46,h,3,0.055).
 2312atm(d146,d146_47,h,3,0.055).
 2313atm(d146,d146_48,h,3,0.055).
 2314atm(d146,d146_49,h,3,0.055).
 2315atm(d146,d146_50,h,3,0.055).
 2316atm(d147,d147_1,p,62,1.133).
 2317atm(d147,d147_2,o,40,-0.527).
 2318atm(d147,d147_3,o,49,-0.647).
 2319atm(d147,d147_4,c,10,-0.048).
 2320atm(d147,d147_5,c,10,-0.127).
 2321atm(d147,d147_6,h,3,0.093).
 2322atm(d147,d147_7,h,3,0.093).
 2323atm(d147,d147_8,c,10,-0.078).
 2324atm(d147,d147_9,c,10,-0.078).
 2325atm(d147,d147_10,h,3,0.072).
 2326atm(d147,d147_11,h,3,0.072).
 2327atm(d147,d147_12,c,10,-0.078).
 2328atm(d147,d147_13,h,3,-0.008).
 2329atm(d147,d147_14,c,10,-0.127).
 2330atm(d147,d147_15,h,3,0.072).
 2331atm(d147,d147_16,h,3,0.072).
 2332atm(d147,d147_17,h,3,0.072).
 2333atm(d147,d147_18,h,3,0.072).
 2334atm(d147,d147_19,h,3,0.072).
 2335atm(d147,d147_20,c,10,-0.078).
 2336atm(d147,d147_21,h,3,0.072).
 2337atm(d147,d147_22,h,3,0.072).
 2338atm(d147,d147_23,c,10,-0.127).
 2339atm(d147,d147_24,h,3,0.072).
 2340atm(d147,d147_25,h,3,0.072).
 2341atm(d147,d147_26,h,3,0.072).
 2342atm(d147,d147_27,h,3,0.072).
 2343atm(d147,d147_28,h,3,0.072).
 2344atm(d147,d147_29,o,49,-0.647).
 2345atm(d147,d147_30,c,10,-0.048).
 2346atm(d147,d147_31,o,49,-0.647).
 2347atm(d147,d147_32,c,10,-0.048).
 2348atm(d147,d147_33,c,10,-0.127).
 2349atm(d147,d147_34,h,3,0.093).
 2350atm(d147,d147_35,h,3,0.093).
 2351atm(d147,d147_36,c,10,-0.078).
 2352atm(d147,d147_37,c,10,-0.078).
 2353atm(d147,d147_38,h,3,-0.008).
 2354atm(d147,d147_39,c,10,-0.127).
 2355atm(d147,d147_40,h,3,0.072).
 2356atm(d147,d147_41,h,3,0.072).
 2357atm(d147,d147_42,h,3,0.072).
 2358atm(d147,d147_43,h,3,0.072).
 2359atm(d147,d147_44,h,3,0.072).
 2360atm(d147,d147_45,c,10,-0.078).
 2361atm(d147,d147_46,h,3,0.072).
 2362atm(d147,d147_47,h,3,0.072).
 2363atm(d147,d147_48,c,10,-0.078).
 2364atm(d147,d147_49,h,3,0.072).
 2365atm(d147,d147_50,h,3,0.072).
 2366atm(d147,d147_51,c,10,-0.127).
 2367atm(d147,d147_52,h,3,0.072).
 2368atm(d147,d147_53,h,3,0.072).
 2369atm(d147,d147_54,h,3,0.072).
 2370atm(d147,d147_55,h,3,0.072).
 2371atm(d147,d147_56,h,3,0.072).
 2372atm(d147,d147_57,c,10,-0.127).
 2373atm(d147,d147_58,h,3,0.093).
 2374atm(d147,d147_59,h,3,0.093).
 2375atm(d147,d147_60,c,10,-0.078).
 2376atm(d147,d147_61,c,10,-0.078).
 2377atm(d147,d147_62,h,3,-0.008).
 2378atm(d147,d147_63,c,10,-0.127).
 2379atm(d147,d147_64,h,3,0.072).
 2380atm(d147,d147_65,h,3,0.072).
 2381atm(d147,d147_66,h,3,0.072).
 2382atm(d147,d147_67,h,3,0.072).
 2383atm(d147,d147_68,h,3,0.072).
 2384atm(d147,d147_69,c,10,-0.078).
 2385atm(d147,d147_70,h,3,0.072).
 2386atm(d147,d147_71,h,3,0.072).
 2387atm(d147,d147_72,c,10,-0.078).
 2388atm(d147,d147_73,h,3,0.072).
 2389atm(d147,d147_74,h,3,0.072).
 2390atm(d147,d147_75,c,10,-0.127).
 2391atm(d147,d147_76,h,3,0.072).
 2392atm(d147,d147_77,h,3,0.072).
 2393atm(d147,d147_78,h,3,0.072).
 2394atm(d147,d147_79,h,3,0.072).
 2395atm(d147,d147_80,h,3,0.072).
 2396atm(d148,d148_1,c,22,-0.115).
 2397atm(d148,d148_2,c,22,-0.115).
 2398atm(d148,d148_3,c,22,-0.115).
 2399atm(d148,d148_4,c,22,-0.115).
 2400atm(d148,d148_5,c,22,-0.115).
 2401atm(d148,d148_6,c,22,-0.115).
 2402atm(d148,d148_7,h,3,0.145).
 2403atm(d148,d148_8,h,3,0.145).
 2404atm(d148,d148_9,h,3,0.144).
 2405atm(d148,d148_10,h,3,0.144).
 2406atm(d148,d148_11,h,3,0.144).
 2407atm(d148,d148_12,c,10,0.015).
 2408atm(d148,d148_13,c,10,-0.085).
 2409atm(d148,d148_14,h,3,0.065).
 2410atm(d148,d148_15,h,3,0.065).
 2411atm(d148,d148_16,h,3,0.065).
 2412atm(d148,d148_17,o,45,-0.636).
 2413atm(d148,d148_18,h,3,0.065).
 2414atm(d148,d148_19,h,8,0.414).
 2415atm(d149,d149_1,c,22,-0.125).
 2416atm(d149,d149_2,c,22,-0.125).
 2417atm(d149,d149_3,c,22,-0.125).
 2418atm(d149,d149_4,c,22,-0.125).
 2419atm(d149,d149_5,c,22,-0.125).
 2420atm(d149,d149_6,c,22,0.255).
 2421atm(d149,d149_7,h,3,0.135).
 2422atm(d149,d149_8,h,3,0.135).
 2423atm(d149,d149_9,h,3,0.135).
 2424atm(d149,d149_10,h,3,0.135).
 2425atm(d149,d149_11,o,45,-0.646).
 2426atm(d149,d149_12,c,10,0.005).
 2427atm(d149,d149_13,c,22,-0.125).
 2428atm(d149,d149_14,c,22,-0.125).
 2429atm(d149,d149_15,c,22,-0.125).
 2430atm(d149,d149_16,c,22,0.254).
 2431atm(d149,d149_17,c,22,-0.125).
 2432atm(d149,d149_18,c,22,-0.125).
 2433atm(d149,d149_19,h,3,0.135).
 2434atm(d149,d149_20,h,3,0.135).
 2435atm(d149,d149_21,h,3,0.135).
 2436atm(d149,d149_22,h,3,0.135).
 2437atm(d149,d149_23,c,10,-0.095).
 2438atm(d149,d149_24,h,3,0.055).
 2439atm(d149,d149_25,h,3,0.055).
 2440atm(d149,d149_26,h,3,0.055).
 2441atm(d149,d149_27,c,10,-0.095).
 2442atm(d149,d149_28,h,3,0.055).
 2443atm(d149,d149_29,h,3,0.055).
 2444atm(d149,d149_30,h,3,0.055).
 2445atm(d149,d149_31,o,45,-0.646).
 2446atm(d149,d149_32,h,8,0.404).
 2447atm(d149,d149_33,h,8,0.404).
 2448atm(d15,d15_1,c,22,-0.13).
 2449atm(d15,d15_2,c,22,-0.13).
 2450atm(d15,d15_3,c,22,-0.13).
 2451atm(d15,d15_4,c,22,-0.13).
 2452atm(d15,d15_5,c,22,-0.13).
 2453atm(d15,d15_6,c,22,0.2).
 2454atm(d15,d15_7,h,3,0.13).
 2455atm(d15,d15_8,h,3,0.13).
 2456atm(d15,d15_9,h,3,0.13).
 2457atm(d15,d15_10,h,3,0.13).
 2458atm(d15,d15_11,c,10,0.0).
 2459atm(d15,d15_12,c,22,-0.13).
 2460atm(d15,d15_13,h,3,0.05).
 2461atm(d15,d15_14,h,3,0.05).
 2462atm(d15,d15_15,c,22,-0.13).
 2463atm(d15,d15_16,c,22,-0.13).
 2464atm(d15,d15_17,c,22,0.2).
 2465atm(d15,d15_18,c,22,-0.13).
 2466atm(d15,d15_19,c,22,-0.13).
 2467atm(d15,d15_20,h,3,0.13).
 2468atm(d15,d15_21,h,3,0.13).
 2469atm(d15,d15_22,h,3,0.13).
 2470atm(d15,d15_23,h,3,0.13).
 2471atm(d15,d15_24,n,32,-0.78).
 2472atm(d15,d15_25,n,32,-0.78).
 2473atm(d15,d15_26,h,1,0.33).
 2474atm(d15,d15_27,h,1,0.33).
 2475atm(d15,d15_28,h,1,0.33).
 2476atm(d15,d15_29,h,1,0.33).
 2477atm(d150,d150_1,c,22,-0.133).
 2478atm(d150,d150_2,c,22,-0.003).
 2479atm(d150,d150_3,c,22,-0.133).
 2480atm(d150,d150_4,c,22,-0.133).
 2481atm(d150,d150_5,c,22,-0.003).
 2482atm(d150,d150_6,c,22,-0.133).
 2483atm(d150,d150_7,h,3,0.127).
 2484atm(d150,d150_8,h,3,0.127).
 2485atm(d150,d150_9,h,3,0.127).
 2486atm(d150,d150_10,h,3,0.127).
 2487atm(d150,d150_11,c,14,0.696).
 2488atm(d150,d150_12,o,49,-0.654).
 2489atm(d150,d150_13,c,10,0.236).
 2490atm(d150,d150_14,h,3,0.097).
 2491atm(d150,d150_15,h,3,0.097).
 2492atm(d150,d150_16,h,3,0.097).
 2493atm(d150,d150_17,c,14,0.696).
 2494atm(d150,d150_18,o,49,-0.654).
 2495atm(d150,d150_19,c,10,0.236).
 2496atm(d150,d150_20,h,3,0.097).
 2497atm(d150,d150_21,h,3,0.097).
 2498atm(d150,d150_22,h,3,0.097).
 2499atm(d150,d150_23,o,51,-0.554).
 2500atm(d150,d150_24,o,51,-0.554).
 2501atm(d151,d151_1,c,22,0.252).
 2502atm(d151,d151_2,c,22,0.252).
 2503atm(d151,d151_3,c,22,0.252).
 2504atm(d151,d151_4,c,22,-0.128).
 2505atm(d151,d151_5,c,22,0.002).
 2506atm(d151,d151_6,c,22,-0.128).
 2507atm(d151,d151_7,h,3,0.132).
 2508atm(d151,d151_8,h,3,0.132).
 2509atm(d151,d151_9,o,45,-0.649).
 2510atm(d151,d151_10,o,45,-0.648).
 2511atm(d151,d151_11,o,45,-0.649).
 2512atm(d151,d151_12,c,14,0.701).
 2513atm(d151,d151_13,o,49,-0.649).
 2514atm(d151,d151_14,c,10,0.252).
 2515atm(d151,d151_15,o,51,-0.548).
 2516atm(d151,d151_16,h,8,0.402).
 2517atm(d151,d151_17,h,8,0.402).
 2518atm(d151,d151_18,h,8,0.402).
 2519atm(d151,d151_19,c,10,-0.098).
 2520atm(d151,d151_20,h,3,0.102).
 2521atm(d151,d151_21,h,3,0.102).
 2522atm(d151,d151_22,c,10,-0.148).
 2523atm(d151,d151_23,h,3,0.052).
 2524atm(d151,d151_24,h,3,0.052).
 2525atm(d151,d151_25,h,3,0.052).
 2526atm(d151,d151_26,h,3,0.052).
 2527atm(d151,d151_27,h,3,0.052).
 2528atm(d152,d152_1,c,22,-0.114).
 2529atm(d152,d152_2,c,22,-0.114).
 2530atm(d152,d152_3,c,22,-0.114).
 2531atm(d152,d152_4,c,22,-0.114).
 2532atm(d152,d152_5,c,22,-0.114).
 2533atm(d152,d152_6,c,22,-0.114).
 2534atm(d152,d152_7,h,3,0.146).
 2535atm(d152,d152_8,h,3,0.146).
 2536atm(d152,d152_9,h,3,0.146).
 2537atm(d152,d152_10,h,3,0.146).
 2538atm(d152,d152_11,h,3,0.146).
 2539atm(d152,d152_12,c,10,0.016).
 2540atm(d152,d152_13,n,36,-0.283).
 2541atm(d152,d152_14,c,14,0.617).
 2542atm(d152,d152_15,h,3,0.066).
 2543atm(d152,d152_16,o,40,-0.533).
 2544atm(d152,d152_17,n,32,-0.383).
 2545atm(d152,d152_18,c,193,-0.084).
 2546atm(d152,d152_19,c,192,0.597).
 2547atm(d152,d152_20,n,33,-0.233).
 2548atm(d152,d152_21,c,193,-0.084).
 2549atm(d152,d152_22,h,3,0.066).
 2550atm(d152,d152_23,o,40,-0.533).
 2551atm(d152,d152_24,s,74,-0.084).
 2552atm(d152,d152_25,h,3,0.066).
 2553atm(d152,d152_26,c,10,-0.084).
 2554atm(d152,d152_27,c,10,0.116).
 2555atm(d152,d152_28,c,14,0.797).
 2556atm(d152,d152_29,h,3,0.066).
 2557atm(d152,d152_30,o,45,-0.653).
 2558atm(d152,d152_31,o,51,-0.593).
 2559atm(d152,d152_32,c,10,-0.084).
 2560atm(d152,d152_33,h,3,0.066).
 2561atm(d152,d152_34,h,3,0.066).
 2562atm(d152,d152_35,h,3,0.066).
 2563atm(d152,d152_36,c,10,-0.084).
 2564atm(d152,d152_37,h,3,0.066).
 2565atm(d152,d152_38,h,3,0.066).
 2566atm(d152,d152_39,h,3,0.066).
 2567atm(d152,d152_40,h,1,0.166).
 2568atm(d152,d152_41,h,1,0.166).
 2569atm(d152,d152_42,h,1,0.267).
 2570atm(d152,d152_43,h,1,0.267).
 2571atm(d153,d153_1,c,22,-0.13).
 2572atm(d153,d153_2,c,22,0.0).
 2573atm(d153,d153_3,c,22,0.25).
 2574atm(d153,d153_4,c,22,-0.13).
 2575atm(d153,d153_5,c,22,0.25).
 2576atm(d153,d153_6,c,22,-0.13).
 2577atm(d153,d153_7,h,3,0.13).
 2578atm(d153,d153_8,h,3,0.13).
 2579atm(d153,d153_9,h,3,0.13).
 2580atm(d153,d153_10,o,45,-0.65).
 2581atm(d153,d153_11,h,8,0.4).
 2582atm(d153,d153_12,o,45,-0.65).
 2583atm(d153,d153_13,c,10,-0.1).
 2584atm(d153,d153_14,c,10,-0.1).
 2585atm(d153,d153_15,h,3,0.05).
 2586atm(d153,d153_16,h,3,0.05).
 2587atm(d153,d153_17,c,10,-0.1).
 2588atm(d153,d153_18,h,3,0.05).
 2589atm(d153,d153_19,h,3,0.05).
 2590atm(d153,d153_20,c,10,-0.1).
 2591atm(d153,d153_21,h,3,0.05).
 2592atm(d153,d153_22,h,3,0.05).
 2593atm(d153,d153_23,c,10,-0.1).
 2594atm(d153,d153_24,h,3,0.05).
 2595atm(d153,d153_25,h,3,0.05).
 2596atm(d153,d153_26,h,8,0.4).
 2597atm(d153,d153_27,c,10,-0.15).
 2598atm(d153,d153_28,h,3,0.05).
 2599atm(d153,d153_29,h,3,0.05).
 2600atm(d153,d153_30,h,3,0.05).
 2601atm(d153,d153_31,h,3,0.05).
 2602atm(d153,d153_32,h,3,0.05).
 2603atm(d154,d154_1,c,22,-0.119).
 2604atm(d154,d154_2,c,22,0.011).
 2605atm(d154,d154_3,c,22,-0.119).
 2606atm(d154,d154_4,c,22,0.261).
 2607atm(d154,d154_5,c,22,0.261).
 2608atm(d154,d154_6,c,22,-0.119).
 2609atm(d154,d154_7,h,3,0.141).
 2610atm(d154,d154_8,h,3,0.141).
 2611atm(d154,d154_9,o,45,-0.64).
 2612atm(d154,d154_10,c,10,-0.089).
 2613atm(d154,d154_11,c,10,-0.089).
 2614atm(d154,d154_12,h,3,0.061).
 2615atm(d154,d154_13,h,3,0.061).
 2616atm(d154,d154_14,h,8,0.41).
 2617atm(d154,d154_15,h,3,0.141).
 2618atm(d154,d154_16,o,45,-0.64).
 2619atm(d154,d154_17,h,8,0.41).
 2620atm(d154,d154_18,c,10,-0.089).
 2621atm(d154,d154_19,h,3,0.061).
 2622atm(d154,d154_20,h,3,0.061).
 2623atm(d154,d154_21,h,3,0.061).
 2624atm(d154,d154_22,n,36,-0.29).
 2625atm(d154,d154_23,h,1,0.161).
 2626atm(d154,d154_24,h,1,0.161).
 2627atm(d154,d154_25,c,14,0.79).
 2628atm(d154,d154_26,o,45,-0.66).
 2629atm(d154,d154_27,o,51,-0.6).
 2630atm(d154,d154_28,h,1,0.261).
 2631atm(d155,d155_1,c,22,-0.105).
 2632atm(d155,d155_2,c,22,0.275).
 2633atm(d155,d155_3,c,22,0.025).
 2634atm(d155,d155_4,c,22,-0.105).
 2635atm(d155,d155_5,c,22,-0.105).
 2636atm(d155,d155_6,c,22,-0.105).
 2637atm(d155,d155_7,h,3,0.155).
 2638atm(d155,d155_8,h,3,0.155).
 2639atm(d155,d155_9,h,3,0.155).
 2640atm(d155,d155_10,c,14,0.575).
 2641atm(d155,d155_11,c,16,-0.175).
 2642atm(d155,d155_12,c,10,0.125).
 2643atm(d155,d155_13,c,10,0.025).
 2644atm(d155,d155_14,c,16,-0.075).
 2645atm(d155,d155_15,c,10,0.125).
 2646atm(d155,d155_16,c,10,-0.125).
 2647atm(d155,d155_17,c,10,0.215).
 2648atm(d155,d155_18,h,3,0.125).
 2649atm(d155,d155_19,c,14,0.605).
 2650atm(d155,d155_20,c,16,-0.175).
 2651atm(d155,d155_21,c,16,-0.075).
 2652atm(d155,d155_22,c,10,0.125).
 2653atm(d155,d155_23,h,3,0.075).
 2654atm(d155,d155_24,h,3,-0.005).
 2655atm(d155,d155_25,o,45,-0.625).
 2656atm(d155,d155_26,c,10,-0.075).
 2657atm(d155,d155_27,h,3,0.075).
 2658atm(d155,d155_28,h,3,0.075).
 2659atm(d155,d155_29,h,3,0.075).
 2660atm(d155,d155_30,o,45,-0.625).
 2661atm(d155,d155_31,h,3,0.085).
 2662atm(d155,d155_32,n,36,-0.275).
 2663atm(d155,d155_33,h,3,0.075).
 2664atm(d155,d155_34,c,10,-0.125).
 2665atm(d155,d155_35,h,3,0.075).
 2666atm(d155,d155_36,h,3,0.075).
 2667atm(d155,d155_37,h,3,0.075).
 2668atm(d155,d155_38,c,10,-0.125).
 2669atm(d155,d155_39,h,3,0.075).
 2670atm(d155,d155_40,h,3,0.075).
 2671atm(d155,d155_41,h,3,0.075).
 2672atm(d155,d155_42,o,45,-0.625).
 2673atm(d155,d155_43,c,10,0.115).
 2674atm(d155,d155_44,o,50,-0.205).
 2675atm(d155,d155_45,h,3,0.075).
 2676atm(d155,d155_46,h,3,0.075).
 2677atm(d155,d155_47,n,36,-0.275).
 2678atm(d155,d155_48,o,45,-0.625).
 2679atm(d155,d155_49,o,45,-0.625).
 2680atm(d155,d155_50,o,40,-0.525).
 2681atm(d155,d155_51,o,42,-0.555).
 2682atm(d155,d155_52,h,8,0.425).
 2683atm(d155,d155_53,h,8,0.425).
 2684atm(d155,d155_54,h,8,0.425).
 2685atm(d155,d155_55,h,8,0.425).
 2686atm(d155,d155_56,h,1,0.175).
 2687atm(d155,d155_57,h,1,0.175).
 2688atm(d155,d155_58,h,8,0.425).
 2689atm(d156,d156_1,c,22,-0.139).
 2690atm(d156,d156_2,c,22,0.172).
 2691atm(d156,d156_3,c,22,-0.139).
 2692atm(d156,d156_4,c,22,-0.139).
 2693atm(d156,d156_5,c,22,0.172).
 2694atm(d156,d156_6,c,22,0.172).
 2695atm(d156,d156_7,h,3,0.121).
 2696atm(d156,d156_8,h,3,0.121).
 2697atm(d156,d156_9,c,10,-0.009).
 2698atm(d156,d156_10,o,50,-0.238).
 2699atm(d156,d156_11,c,10,-0.109).
 2700atm(d156,d156_12,c,10,0.056).
 2701atm(d156,d156_13,h,3,0.041).
 2702atm(d156,d156_14,h,3,0.041).
 2703atm(d156,d156_15,h,3,0.091).
 2704atm(d156,d156_16,h,3,0.041).
 2705atm(d156,d156_17,c,14,0.542).
 2706atm(d156,d156_18,c,22,-0.009).
 2707atm(d156,d156_19,o,50,-0.238).
 2708atm(d156,d156_20,c,22,0.172).
 2709atm(d156,d156_21,c,22,-0.009).
 2710atm(d156,d156_22,c,22,0.172).
 2711atm(d156,d156_23,c,22,-0.139).
 2712atm(d156,d156_24,c,22,-0.139).
 2713atm(d156,d156_25,h,3,0.121).
 2714atm(d156,d156_26,h,3,0.121).
 2715atm(d156,d156_27,c,10,-0.109).
 2716atm(d156,d156_28,c,10,0.091).
 2717atm(d156,d156_29,o,50,-0.238).
 2718atm(d156,d156_30,h,3,0.041).
 2719atm(d156,d156_31,h,3,0.041).
 2720atm(d156,d156_32,c,16,-0.208).
 2721atm(d156,d156_33,c,16,-0.208).
 2722atm(d156,d156_34,h,3,0.091).
 2723atm(d156,d156_35,h,3,0.091).
 2724atm(d156,d156_36,c,10,0.081).
 2725atm(d156,d156_37,h,3,0.041).
 2726atm(d156,d156_38,h,3,0.041).
 2727atm(d156,d156_39,h,3,0.041).
 2728atm(d156,d156_40,o,50,-0.238).
 2729atm(d156,d156_41,c,10,0.081).
 2730atm(d156,d156_42,h,3,0.041).
 2731atm(d156,d156_43,h,3,0.041).
 2732atm(d156,d156_44,h,3,0.041).
 2733atm(d156,d156_45,o,50,-0.238).
 2734atm(d156,d156_46,c,10,0.081).
 2735atm(d156,d156_47,h,3,0.041).
 2736atm(d156,d156_48,h,3,0.041).
 2737atm(d156,d156_49,h,3,0.041).
 2738atm(d156,d156_50,o,42,-0.588).
 2739atm(d156,d156_51,h,3,0.011).
 2740atm(d157,d157_1,c,22,-0.122).
 2741atm(d157,d157_2,c,22,-0.122).
 2742atm(d157,d157_3,c,22,-0.122).
 2743atm(d157,d157_4,c,22,-0.121).
 2744atm(d157,d157_5,c,22,-0.121).
 2745atm(d157,d157_6,c,22,-0.121).
 2746atm(d157,d157_7,h,3,0.139).
 2747atm(d157,d157_8,h,3,0.139).
 2748atm(d157,d157_9,h,3,0.139).
 2749atm(d157,d157_10,h,3,0.139).
 2750atm(d157,d157_11,h,3,0.139).
 2751atm(d157,d157_12,c,22,-0.121).
 2752atm(d157,d157_13,c,22,-0.121).
 2753atm(d157,d157_14,c,22,-0.121).
 2754atm(d157,d157_15,c,22,-0.121).
 2755atm(d157,d157_16,c,22,-0.122).
 2756atm(d157,d157_17,c,22,-0.122).
 2757atm(d157,d157_18,h,3,0.139).
 2758atm(d157,d157_19,h,3,0.139).
 2759atm(d157,d157_20,h,3,0.139).
 2760atm(d157,d157_21,h,3,0.139).
 2761atm(d157,d157_22,h,3,0.139).
 2762atm(d157,d157_23,c,10,0.008).
 2763atm(d157,d157_24,o,50,-0.36).
 2764atm(d157,d157_25,h,3,0.058).
 2765atm(d157,d157_26,c,10,0.028).
 2766atm(d157,d157_27,c,10,0.008).
 2767atm(d157,d157_28,h,3,0.068).
 2768atm(d157,d157_29,h,3,0.068).
 2769atm(d157,d157_30,n,36,-0.291).
 2770atm(d157,d157_31,h,3,0.058).
 2771atm(d157,d157_32,h,3,0.058).
 2772atm(d157,d157_33,c,10,0.008).
 2773atm(d157,d157_34,h,3,0.058).
 2774atm(d157,d157_35,h,3,0.058).
 2775atm(d157,d157_36,h,3,0.058).
 2776atm(d157,d157_37,c,10,0.008).
 2777atm(d157,d157_38,h,3,0.058).
 2778atm(d157,d157_39,h,3,0.058).
 2779atm(d157,d157_40,h,3,0.058).
 2780atm(d158,d158_1,na,81,0.65).
 2781atm(d158,d158_2,f,92,-0.65).
 2782atm(d159,d159_1,c,22,0.007).
 2783atm(d159,d159_2,c,22,-0.123).
 2784atm(d159,d159_3,c,22,-0.122).
 2785atm(d159,d159_4,c,22,-0.123).
 2786atm(d159,d159_5,c,22,-0.123).
 2787atm(d159,d159_6,c,22,-0.123).
 2788atm(d159,d159_7,h,3,0.138).
 2789atm(d159,d159_8,h,3,0.138).
 2790atm(d159,d159_9,h,3,0.138).
 2791atm(d159,d159_10,h,3,0.138).
 2792atm(d159,d159_11,c,14,0.558).
 2793atm(d159,d159_12,c,10,0.007).
 2794atm(d159,d159_13,h,3,0.057).
 2795atm(d159,d159_14,h,3,0.057).
 2796atm(d159,d159_15,h,3,0.057).
 2797atm(d159,d159_16,o,42,-0.572).
 2798atm(d159,d159_17,s,77,0.358).
 2799atm(d159,d159_18,c,14,0.608).
 2800atm(d159,d159_19,n,32,-0.392).
 2801atm(d159,d159_20,c,10,-0.093).
 2802atm(d159,d159_21,c,10,-0.093).
 2803atm(d159,d159_22,c,10,-0.093).
 2804atm(d159,d159_23,c,10,-0.093).
 2805atm(d159,d159_24,c,10,-0.093).
 2806atm(d159,d159_25,c,10,-0.093).
 2807atm(d159,d159_26,h,3,0.107).
 2808atm(d159,d159_27,h,3,0.057).
 2809atm(d159,d159_28,h,3,0.057).
 2810atm(d159,d159_29,h,3,0.057).
 2811atm(d159,d159_30,h,3,0.057).
 2812atm(d159,d159_31,h,3,0.057).
 2813atm(d159,d159_32,h,3,0.057).
 2814atm(d159,d159_33,h,3,0.057).
 2815atm(d159,d159_34,h,3,0.057).
 2816atm(d159,d159_35,h,3,0.057).
 2817atm(d159,d159_36,h,3,0.057).
 2818atm(d159,d159_37,h,1,0.308).
 2819atm(d159,d159_38,o,40,-0.542).
 2820atm(d159,d159_39,o,40,-0.242).
 2821atm(d159,d159_40,o,40,-0.242).
 2822atm(d159,d159_41,n,32,-0.392).
 2823atm(d159,d159_42,h,1,0.308).
 2824atm(d16,d16_1,c,22,-0.124).
 2825atm(d16,d16_2,c,22,-0.124).
 2826atm(d16,d16_3,c,22,0.006).
 2827atm(d16,d16_4,c,22,0.006).
 2828atm(d16,d16_5,c,22,-0.124).
 2829atm(d16,d16_6,c,22,-0.124).
 2830atm(d16,d16_7,h,3,0.135).
 2831atm(d16,d16_8,h,3,0.135).
 2832atm(d16,d16_9,h,3,0.135).
 2833atm(d16,d16_10,h,3,0.135).
 2834atm(d16,d16_11,c,14,0.555).
 2835atm(d16,d16_12,c,22,0.006).
 2836atm(d16,d16_13,c,22,0.006).
 2837atm(d16,d16_14,c,14,0.555).
 2838atm(d16,d16_15,c,22,-0.124).
 2839atm(d16,d16_16,c,22,-0.124).
 2840atm(d16,d16_17,c,22,-0.175).
 2841atm(d16,d16_18,c,22,-0.124).
 2842atm(d16,d16_19,h,3,0.135).
 2843atm(d16,d16_20,h,3,0.135).
 2844atm(d16,d16_21,o,40,-0.545).
 2845atm(d16,d16_22,o,40,-0.545).
 2846atm(d16,d16_23,n,38,0.805).
 2847atm(d16,d16_24,c,10,0.006).
 2848atm(d16,d16_25,h,3,0.056).
 2849atm(d16,d16_26,h,3,0.056).
 2850atm(d16,d16_27,h,3,0.056).
 2851atm(d16,d16_28,o,40,-0.395).
 2852atm(d16,d16_29,o,40,-0.395).
 2853atm(d160,d160_1,c,10,0.158).
 2854atm(d160,d160_2,c,16,-0.042).
 2855atm(d160,d160_3,c,16,-0.142).
 2856atm(d160,d160_4,c,14,0.756).
 2857atm(d160,d160_5,o,49,-0.593).
 2858atm(d160,d160_6,o,45,-0.593).
 2859atm(d160,d160_7,o,45,-0.593).
 2860atm(d160,d160_8,c,10,0.248).
 2861atm(d160,d160_9,h,3,0.108).
 2862atm(d160,d160_10,o,45,-0.593).
 2863atm(d160,d160_11,c,10,0.228).
 2864atm(d160,d160_12,h,3,0.118).
 2865atm(d160,d160_13,o,45,-0.593).
 2866atm(d160,d160_14,h,3,0.098).
 2867atm(d160,d160_15,h,3,0.098).
 2868atm(d160,d160_16,o,51,-0.494).
 2869atm(d160,d160_17,h,8,0.458).
 2870atm(d160,d160_18,h,8,0.458).
 2871atm(d160,d160_19,h,8,0.458).
 2872atm(d160,d160_20,h,8,0.457).
 2873atm(d161,d161_1,c,22,-0.126).
 2874atm(d161,d161_2,c,22,0.254).
 2875atm(d161,d161_3,c,22,-0.126).
 2876atm(d161,d161_4,c,22,-0.126).
 2877atm(d161,d161_5,c,22,-0.176).
 2878atm(d161,d161_6,c,22,-0.126).
 2879atm(d161,d161_7,h,3,0.134).
 2880atm(d161,d161_8,h,3,0.134).
 2881atm(d161,d161_9,c,10,0.005).
 2882atm(d161,d161_10,h,3,0.055).
 2883atm(d161,d161_11,h,3,0.055).
 2884atm(d161,d161_12,h,3,0.055).
 2885atm(d161,d161_13,c,10,-0.095).
 2886atm(d161,d161_14,c,10,-0.095).
 2887atm(d161,d161_15,h,3,0.055).
 2888atm(d161,d161_16,h,3,0.055).
 2889atm(d161,d161_17,h,3,0.055).
 2890atm(d161,d161_18,c,10,-0.095).
 2891atm(d161,d161_19,h,3,0.055).
 2892atm(d161,d161_20,h,3,0.055).
 2893atm(d161,d161_21,h,3,0.055).
 2894atm(d161,d161_22,c,10,-0.095).
 2895atm(d161,d161_23,h,3,0.055).
 2896atm(d161,d161_24,h,3,0.055).
 2897atm(d161,d161_25,h,3,0.055).
 2898atm(d161,d161_26,o,45,-0.646).
 2899atm(d161,d161_27,c,10,-0.095).
 2900atm(d161,d161_28,c,10,-0.095).
 2901atm(d161,d161_29,h,3,0.055).
 2902atm(d161,d161_30,h,3,0.055).
 2903atm(d161,d161_31,h,3,0.055).
 2904atm(d161,d161_32,c,10,-0.095).
 2905atm(d161,d161_33,h,3,0.055).
 2906atm(d161,d161_34,h,3,0.055).
 2907atm(d161,d161_35,h,3,0.055).
 2908atm(d161,d161_36,c,10,-0.095).
 2909atm(d161,d161_37,h,3,0.055).
 2910atm(d161,d161_38,h,3,0.055).
 2911atm(d161,d161_39,h,3,0.055).
 2912atm(d161,d161_40,h,8,0.404).
 2913atm(d162,d162_1,c,22,-0.142).
 2914atm(d162,d162_2,c,22,-0.142).
 2915atm(d162,d162_3,c,22,0.168).
 2916atm(d162,d162_4,c,22,0.169).
 2917atm(d162,d162_5,c,22,-0.142).
 2918atm(d162,d162_6,c,22,-0.142).
 2919atm(d162,d162_7,h,3,0.118).
 2920atm(d162,d162_8,h,3,0.118).
 2921atm(d162,d162_9,h,3,0.118).
 2922atm(d162,d162_10,h,3,0.118).
 2923atm(d162,d162_11,c,22,0.169).
 2924atm(d162,d162_12,c,22,-0.142).
 2925atm(d162,d162_13,c,22,-0.142).
 2926atm(d162,d162_14,c,22,-0.142).
 2927atm(d162,d162_15,c,22,-0.142).
 2928atm(d162,d162_16,c,22,0.168).
 2929atm(d162,d162_17,h,3,0.118).
 2930atm(d162,d162_18,h,3,0.118).
 2931atm(d162,d162_19,h,3,0.118).
 2932atm(d162,d162_20,h,3,0.118).
 2933atm(d162,d162_21,o,50,-0.241).
 2934atm(d162,d162_22,o,50,-0.241).
 2935atm(d163,d163_1,c,10,-0.112).
 2936atm(d163,d163_2,c,10,-0.112).
 2937atm(d163,d163_3,n,32,-0.512).
 2938atm(d163,d163_4,h,3,-0.062).
 2939atm(d163,d163_5,h,3,-0.062).
 2940atm(d163,d163_6,c,14,0.488).
 2941atm(d163,d163_7,c,14,0.488).
 2942atm(d163,d163_8,o,50,-0.342).
 2943atm(d163,d163_9,o,51,-0.661).
 2944atm(d163,d163_10,na,81,0.889).
 2945atm(d163,d163_11,o,51,-0.661).
 2946atm(d163,d163_12,o,50,-0.342).
 2947atm(d163,d163_13,na,81,0.889).
 2948atm(d163,d163_14,n,32,-0.512).
 2949atm(d163,d163_15,h,3,-0.062).
 2950atm(d163,d163_16,h,3,-0.062).
 2951atm(d163,d163_17,c,14,0.488).
 2952atm(d163,d163_18,c,14,0.488).
 2953atm(d163,d163_19,o,51,-0.661).
 2954atm(d163,d163_20,o,50,-0.342).
 2955atm(d163,d163_21,na,81,0.889).
 2956atm(d163,d163_22,o,51,-0.661).
 2957atm(d163,d163_23,o,50,-0.342).
 2958atm(d163,d163_24,na,81,0.889).
 2959atm(d164,d164_1,c,10,0.15).
 2960atm(d164,d164_2,c,10,-0.09).
 2961atm(d164,d164_3,c,10,0.2).
 2962atm(d164,d164_4,c,10,0.03).
 2963atm(d164,d164_5,o,50,-0.36).
 2964atm(d164,d164_6,c,10,0.075).
 2965atm(d164,d164_7,o,50,-0.36).
 2966atm(d164,d164_8,c,10,0.2).
 2967atm(d164,d164_9,c,10,0.2).
 2968atm(d164,d164_10,c,10,0.2).
 2969atm(d164,d164_11,c,10,0.32).
 2970atm(d164,d164_12,o,50,-0.36).
 2971atm(d164,d164_13,c,10,0.15).
 2972atm(d164,d164_14,h,3,0.06).
 2973atm(d164,d164_15,h,3,0.045).
 2974atm(d164,d164_16,h,3,0.045).
 2975atm(d164,d164_17,h,3,0.07).
 2976atm(d164,d164_18,o,45,-0.64).
 2977atm(d164,d164_19,c,10,-0.09).
 2978atm(d164,d164_20,h,3,0.06).
 2979atm(d164,d164_21,h,3,0.06).
 2980atm(d164,d164_22,h,3,0.06).
 2981atm(d164,d164_23,h,3,0.07).
 2982atm(d164,d164_24,o,45,-0.64).
 2983atm(d164,d164_25,o,45,-0.64).
 2984atm(d164,d164_26,c,10,0.18).
 2985atm(d164,d164_27,h,3,0.07).
 2986atm(d164,d164_28,o,50,-0.36).
 2987atm(d164,d164_29,o,45,-0.64).
 2988atm(d164,d164_30,h,3,0.07).
 2989atm(d164,d164_31,h,3,0.07).
 2990atm(d164,d164_32,h,3,0.045).
 2991atm(d164,d164_33,c,10,0.03).
 2992atm(d164,d164_34,h,8,0.41).
 2993atm(d164,d164_35,h,8,0.41).
 2994atm(d164,d164_36,h,8,0.41).
 2995atm(d164,d164_37,h,8,0.41).
 2996atm(d164,d164_38,o,45,-0.64).
 2997atm(d164,d164_39,h,3,0.05).
 2998atm(d164,d164_40,h,3,0.05).
 2999atm(d164,d164_41,h,8,0.41).
 3000atm(d164,d164_42,h,3,0.07).
 3001atm(d164,d164_43,h,3,0.07).
 3002atm(d164,d164_44,h,3,0.07).
 3003atm(d165,d165_1,c,22,-0.117).
 3004atm(d165,d165_2,c,22,-0.117).
 3005atm(d165,d165_3,c,22,-0.117).
 3006atm(d165,d165_4,c,22,-0.117).
 3007atm(d165,d165_5,c,22,-0.117).
 3008atm(d165,d165_6,c,22,-0.117).
 3009atm(d165,d165_7,h,3,0.143).
 3010atm(d165,d165_8,h,3,0.143).
 3011atm(d165,d165_9,h,3,0.143).
 3012atm(d165,d165_10,h,3,0.143).
 3013atm(d165,d165_11,h,3,0.143).
 3014atm(d165,d165_12,c,10,0.013).
 3015atm(d165,d165_13,c,14,0.562).
 3016atm(d165,d165_14,c,22,0.013).
 3017atm(d165,d165_15,c,22,-0.117).
 3018atm(d165,d165_16,c,22,-0.117).
 3019atm(d165,d165_17,c,22,-0.117).
 3020atm(d165,d165_18,c,22,-0.117).
 3021atm(d165,d165_19,c,22,-0.117).
 3022atm(d165,d165_20,h,3,0.143).
 3023atm(d165,d165_21,h,3,0.143).
 3024atm(d165,d165_22,h,3,0.143).
 3025atm(d165,d165_23,h,3,0.143).
 3026atm(d165,d165_24,h,3,0.143).
 3027atm(d165,d165_25,o,45,-0.638).
 3028atm(d165,d165_26,h,3,0.063).
 3029atm(d165,d165_27,o,42,-0.568).
 3030atm(d165,d165_28,h,8,0.412).
 3031atm(d166,d166_1,c,10,-0.1).
 3032atm(d166,d166_2,c,10,-0.1).
 3033atm(d166,d166_3,c,10,-0.1).
 3034atm(d166,d166_4,h,3,0.05).
 3035atm(d166,d166_5,h,3,0.05).
 3036atm(d166,d166_6,c,10,0.0).
 3037atm(d166,d166_7,h,3,0.05).
 3038atm(d166,d166_8,h,3,0.05).
 3039atm(d166,d166_9,n,32,-0.4).
 3040atm(d166,d166_10,h,3,0.05).
 3041atm(d166,d166_11,h,3,0.05).
 3042atm(d166,d166_12,c,14,0.6).
 3043atm(d166,d166_13,c,10,-0.1).
 3044atm(d166,d166_14,h,3,0.05).
 3045atm(d166,d166_15,h,3,0.05).
 3046atm(d166,d166_16,h,3,0.05).
 3047atm(d166,d166_17,h,3,0.05).
 3048atm(d166,d166_18,o,40,-0.55).
 3049atm(d166,d166_19,h,1,0.25).
 3050atm(d167,d167_1,c,22,-0.123).
 3051atm(d167,d167_2,c,22,-0.123).
 3052atm(d167,d167_3,c,22,-0.123).
 3053atm(d167,d167_4,c,22,-0.123).
 3054atm(d167,d167_5,c,22,-0.123).
 3055atm(d167,d167_6,c,22,-0.123).
 3056atm(d167,d167_7,h,3,0.136).
 3057atm(d167,d167_8,h,3,0.136).
 3058atm(d167,d167_9,h,3,0.136).
 3059atm(d167,d167_10,h,3,0.136).
 3060atm(d167,d167_11,h,3,0.137).
 3061atm(d167,d167_12,c,10,0.007).
 3062atm(d167,d167_13,o,45,-0.644).
 3063atm(d167,d167_14,c,10,0.057).
 3064atm(d167,d167_15,h,3,0.057).
 3065atm(d167,d167_16,c,10,-0.144).
 3066atm(d167,d167_17,h,3,0.057).
 3067atm(d167,d167_18,h,3,0.057).
 3068atm(d167,d167_19,h,3,0.057).
 3069atm(d167,d167_20,n,36,-0.294).
 3070atm(d167,d167_21,h,3,0.107).
 3071atm(d167,d167_22,c,10,0.007).
 3072atm(d167,d167_23,h,8,0.406).
 3073atm(d167,d167_24,h,3,0.057).
 3074atm(d167,d167_25,h,3,0.057).
 3075atm(d167,d167_26,h,3,0.057).
 3076atm(d167,d167_27,h,1,0.156).
 3077atm(d168,d168_1,c,10,-0.082).
 3078atm(d168,d168_2,c,10,-0.132).
 3079atm(d168,d168_3,c,10,0.208).
 3080atm(d168,d168_4,c,10,-0.082).
 3081atm(d168,d168_5,c,10,-0.132).
 3082atm(d168,d168_6,c,10,-0.082).
 3083atm(d168,d168_7,h,3,0.067).
 3084atm(d168,d168_8,h,3,0.067).
 3085atm(d168,d168_9,h,3,0.067).
 3086atm(d168,d168_10,h,3,0.067).
 3087atm(d168,d168_11,h,3,0.067).
 3088atm(d168,d168_12,h,3,0.067).
 3089atm(d168,d168_13,c,10,-0.132).
 3090atm(d168,d168_14,h,3,-0.013).
 3091atm(d168,d168_15,h,3,0.067).
 3092atm(d168,d168_16,h,3,0.067).
 3093atm(d168,d168_17,h,3,0.067).
 3094atm(d168,d168_18,o,45,-0.632).
 3095atm(d168,d168_19,h,3,0.078).
 3096atm(d168,d168_20,c,10,-0.132).
 3097atm(d168,d168_21,h,3,-0.013).
 3098atm(d168,d168_22,c,10,-0.132).
 3099atm(d168,d168_23,h,3,0.067).
 3100atm(d168,d168_24,h,3,0.067).
 3101atm(d168,d168_25,h,3,0.067).
 3102atm(d168,d168_26,c,10,-0.132).
 3103atm(d168,d168_27,h,3,-0.013).
 3104atm(d168,d168_28,h,3,0.067).
 3105atm(d168,d168_29,h,3,0.067).
 3106atm(d168,d168_30,h,3,0.067).
 3107atm(d168,d168_31,h,8,0.418).
 3108atm(d169,d169_1,c,22,-0.13).
 3109atm(d169,d169_2,c,22,-0.13).
 3110atm(d169,d169_3,c,22,-0.13).
 3111atm(d169,d169_4,c,22,-0.13).
 3112atm(d169,d169_5,c,22,0.25).
 3113atm(d169,d169_6,c,22,-0.13).
 3114atm(d169,d169_7,h,3,0.13).
 3115atm(d169,d169_8,h,3,0.13).
 3116atm(d169,d169_9,h,3,0.13).
 3117atm(d169,d169_10,h,3,0.13).
 3118atm(d169,d169_11,h,3,0.13).
 3119atm(d169,d169_12,o,45,-0.65).
 3120atm(d169,d169_13,h,8,0.4).
 3121atm(d17,d17_1,c,22,-0.107).
 3122atm(d17,d17_2,c,22,-0.107).
 3123atm(d17,d17_3,c,27,0.023).
 3124atm(d17,d17_4,c,27,0.023).
 3125atm(d17,d17_5,c,22,-0.107).
 3126atm(d17,d17_6,c,22,-0.107).
 3127atm(d17,d17_7,h,3,0.153).
 3128atm(d17,d17_8,h,3,0.153).
 3129atm(d17,d17_9,h,3,0.153).
 3130atm(d17,d17_10,c,22,-0.107).
 3131atm(d17,d17_11,c,22,-0.107).
 3132atm(d17,d17_12,c,22,-0.107).
 3133atm(d17,d17_13,c,22,-0.107).
 3134atm(d17,d17_14,h,3,0.153).
 3135atm(d17,d17_15,h,3,0.153).
 3136atm(d17,d17_16,h,3,0.153).
 3137atm(d17,d17_17,n,32,-0.758).
 3138atm(d17,d17_18,n,32,-0.758).
 3139atm(d17,d17_19,h,1,0.352).
 3140atm(d17,d17_20,h,1,0.352).
 3141atm(d17,d17_21,h,1,0.352).
 3142atm(d17,d17_22,h,1,0.352).
 3143atm(d170,d170_1,c,22,-0.107).
 3144atm(d170,d170_2,c,22,-0.107).
 3145atm(d170,d170_3,c,22,0.023).
 3146atm(d170,d170_4,c,22,0.023).
 3147atm(d170,d170_5,c,22,-0.107).
 3148atm(d170,d170_6,c,22,-0.107).
 3149atm(d170,d170_7,h,3,0.153).
 3150atm(d170,d170_8,h,3,0.153).
 3151atm(d170,d170_9,h,3,0.153).
 3152atm(d170,d170_10,h,3,0.153).
 3153atm(d170,d170_11,c,14,0.724).
 3154atm(d170,d170_12,o,49,-0.626).
 3155atm(d170,d170_13,c,14,0.724).
 3156atm(d170,d170_14,o,51,-0.526).
 3157atm(d170,d170_15,o,51,-0.526).
 3158atm(d171,d171_1,c,22,-0.166).
 3159atm(d171,d171_2,c,22,-0.117).
 3160atm(d171,d171_3,c,22,-0.117).
 3161atm(d171,d171_4,c,22,-0.117).
 3162atm(d171,d171_5,c,22,-0.117).
 3163atm(d171,d171_6,c,22,-0.117).
 3164atm(d171,d171_7,h,3,0.143).
 3165atm(d171,d171_8,h,3,0.144).
 3166atm(d171,d171_9,h,3,0.144).
 3167atm(d171,d171_10,h,3,0.144).
 3168atm(d171,d171_11,c,10,0.013).
 3169atm(d171,d171_12,h,3,0.063).
 3170atm(d171,d171_13,h,3,0.063).
 3171atm(d171,d171_14,h,3,0.063).
 3172atm(d171,d171_15,s,77,0.364).
 3173atm(d171,d171_16,n,32,-0.386).
 3174atm(d171,d171_17,c,14,0.614).
 3175atm(d171,d171_18,n,32,-0.386).
 3176atm(d171,d171_19,o,40,-0.236).
 3177atm(d171,d171_20,o,40,-0.236).
 3178atm(d171,d171_21,h,1,0.314).
 3179atm(d171,d171_22,o,40,-0.536).
 3180atm(d171,d171_23,c,10,0.013).
 3181atm(d171,d171_24,c,10,-0.087).
 3182atm(d171,d171_25,c,10,-0.087).
 3183atm(d171,d171_26,c,10,-0.087).
 3184atm(d171,d171_27,c,10,-0.087).
 3185atm(d171,d171_28,c,10,0.013).
 3186atm(d171,d171_29,n,36,-0.286).
 3187atm(d171,d171_30,h,3,0.063).
 3188atm(d171,d171_31,h,3,0.063).
 3189atm(d171,d171_32,h,3,0.063).
 3190atm(d171,d171_33,h,3,0.063).
 3191atm(d171,d171_34,h,3,0.063).
 3192atm(d171,d171_35,h,3,0.063).
 3193atm(d171,d171_36,h,3,0.063).
 3194atm(d171,d171_37,h,3,0.063).
 3195atm(d171,d171_38,h,3,0.063).
 3196atm(d171,d171_39,h,3,0.063).
 3197atm(d171,d171_40,h,3,0.063).
 3198atm(d171,d171_41,h,3,0.063).
 3199atm(d171,d171_42,h,1,0.314).
 3200atm(d172,d172_1,sn,113,0.99).
 3201atm(d172,d172_2,o,45,-0.66).
 3202atm(d172,d172_3,c,22,-0.14).
 3203atm(d172,d172_4,c,22,-0.14).
 3204atm(d172,d172_5,c,22,-0.14).
 3205atm(d172,d172_6,c,22,-0.14).
 3206atm(d172,d172_7,c,22,-0.14).
 3207atm(d172,d172_8,c,22,-0.14).
 3208atm(d172,d172_9,c,22,-0.14).
 3209atm(d172,d172_10,c,22,-0.14).
 3210atm(d172,d172_11,h,3,0.12).
 3211atm(d172,d172_12,h,3,0.12).
 3212atm(d172,d172_13,h,3,0.12).
 3213atm(d172,d172_14,h,3,0.12).
 3214atm(d172,d172_15,h,3,0.12).
 3215atm(d172,d172_16,c,22,-0.14).
 3216atm(d172,d172_17,c,22,-0.14).
 3217atm(d172,d172_18,c,22,-0.14).
 3218atm(d172,d172_19,c,22,-0.14).
 3219atm(d172,d172_20,c,22,-0.14).
 3220atm(d172,d172_21,h,3,0.12).
 3221atm(d172,d172_22,h,3,0.12).
 3222atm(d172,d172_23,h,3,0.12).
 3223atm(d172,d172_24,h,3,0.12).
 3224atm(d172,d172_25,h,3,0.12).
 3225atm(d172,d172_26,c,22,-0.14).
 3226atm(d172,d172_27,c,22,-0.14).
 3227atm(d172,d172_28,c,22,-0.14).
 3228atm(d172,d172_29,c,22,-0.14).
 3229atm(d172,d172_30,c,22,-0.14).
 3230atm(d172,d172_31,h,3,0.12).
 3231atm(d172,d172_32,h,3,0.12).
 3232atm(d172,d172_33,h,3,0.12).
 3233atm(d172,d172_34,h,3,0.12).
 3234atm(d172,d172_35,h,3,0.12).
 3235atm(d172,d172_36,h,1,0.39).
 3236atm(d173,d173_1,c,10,0.217).
 3237atm(d173,d173_2,c,10,-0.073).
 3238atm(d173,d173_3,c,10,-0.123).
 3239atm(d173,d173_4,c,10,-0.273).
 3240atm(d173,d173_5,c,10,-0.073).
 3241atm(d173,d173_6,c,10,-0.073).
 3242atm(d173,d173_7,h,3,0.077).
 3243atm(d173,d173_8,h,3,0.077).
 3244atm(d173,d173_9,h,3,0.077).
 3245atm(d173,d173_10,h,3,0.077).
 3246atm(d173,d173_11,h,3,0.077).
 3247atm(d173,d173_12,h,3,0.077).
 3248atm(d173,d173_13,c,10,-0.073).
 3249atm(d173,d173_14,c,10,-0.073).
 3250atm(d173,d173_15,c,10,-0.123).
 3251atm(d173,d173_16,c,10,-0.123).
 3252atm(d173,d173_17,h,3,-0.003).
 3253atm(d173,d173_18,h,3,0.077).
 3254atm(d173,d173_19,h,3,0.077).
 3255atm(d173,d173_20,h,3,0.077).
 3256atm(d173,d173_21,h,3,0.077).
 3257atm(d173,d173_22,c,10,-0.123).
 3258atm(d173,d173_23,c,10,-0.273).
 3259atm(d173,d173_24,c,10,-0.073).
 3260atm(d173,d173_25,c,10,-0.073).
 3261atm(d173,d173_26,h,3,-0.003).
 3262atm(d173,d173_27,h,3,-0.003).
 3263atm(d173,d173_28,h,3,0.077).
 3264atm(d173,d173_29,h,3,0.077).
 3265atm(d173,d173_30,h,3,0.077).
 3266atm(d173,d173_31,h,3,0.077).
 3267atm(d173,d173_32,c,10,-0.123).
 3268atm(d173,d173_33,c,10,-0.073).
 3269atm(d173,d173_34,c,10,-0.073).
 3270atm(d173,d173_35,h,3,0.077).
 3271atm(d173,d173_36,h,3,0.077).
 3272atm(d173,d173_37,h,3,0.077).
 3273atm(d173,d173_38,h,3,0.077).
 3274atm(d173,d173_39,h,3,-0.003).
 3275atm(d173,d173_40,o,45,-0.623).
 3276atm(d173,d173_41,h,3,0.087).
 3277atm(d173,d173_42,c,10,-0.063).
 3278atm(d173,d173_43,h,3,0.077).
 3279atm(d173,d173_44,h,3,0.077).
 3280atm(d173,d173_45,h,3,0.077).
 3281atm(d173,d173_46,c,10,-0.063).
 3282atm(d173,d173_47,h,3,0.077).
 3283atm(d173,d173_48,h,3,0.077).
 3284atm(d173,d173_49,h,3,0.077).
 3285atm(d173,d173_50,c,10,-0.123).
 3286atm(d173,d173_51,h,3,-0.003).
 3287atm(d173,d173_52,c,10,-0.123).
 3288atm(d173,d173_53,h,3,0.077).
 3289atm(d173,d173_54,h,3,0.077).
 3290atm(d173,d173_55,h,3,0.077).
 3291atm(d173,d173_56,c,10,-0.073).
 3292atm(d173,d173_57,h,3,-0.003).
 3293atm(d173,d173_58,c,10,-0.073).
 3294atm(d173,d173_59,h,3,0.077).
 3295atm(d173,d173_60,h,3,0.077).
 3296atm(d173,d173_61,c,14,0.808).
 3297atm(d173,d173_62,h,3,0.077).
 3298atm(d173,d173_63,h,3,0.077).
 3299atm(d173,d173_64,o,45,-0.643).
 3300atm(d173,d173_65,o,51,-0.583).
 3301atm(d173,d173_66,h,8,0.427).
 3302atm(d173,d173_67,h,1,0.277).
 3303atm(d174,d174_1,o,45,-0.65).
 3304atm(d174,d174_2,c,10,0.17).
 3305atm(d174,d174_3,c,10,0.19).
 3306atm(d174,d174_4,h,3,0.04).
 3307atm(d174,d174_5,h,3,0.04).
 3308atm(d174,d174_6,o,45,-0.65).
 3309atm(d174,d174_7,c,10,0.19).
 3310atm(d174,d174_8,h,3,0.06).
 3311atm(d174,d174_9,o,45,-0.65).
 3312atm(d174,d174_10,c,10,0.19).
 3313atm(d174,d174_11,h,3,0.06).
 3314atm(d174,d174_12,o,45,-0.65).
 3315atm(d174,d174_13,c,10,0.19).
 3316atm(d174,d174_14,h,3,0.06).
 3317atm(d174,d174_15,o,45,-0.65).
 3318atm(d174,d174_16,c,10,0.17).
 3319atm(d174,d174_17,h,3,0.06).
 3320atm(d174,d174_18,o,45,-0.65).
 3321atm(d174,d174_19,h,3,0.04).
 3322atm(d174,d174_20,h,3,0.04).
 3323atm(d174,d174_21,h,8,0.4).
 3324atm(d174,d174_22,h,8,0.4).
 3325atm(d174,d174_23,h,8,0.4).
 3326atm(d174,d174_24,h,8,0.4).
 3327atm(d174,d174_25,h,8,0.4).
 3328atm(d174,d174_26,h,8,0.4).
 3329atm(d175,d175_1,c,22,-0.192).
 3330atm(d175,d175_2,c,22,-0.192).
 3331atm(d175,d175_3,c,22,-0.192).
 3332atm(d175,d175_4,c,22,-0.062).
 3333atm(d175,d175_5,c,22,-0.192).
 3334atm(d175,d175_6,c,22,-0.192).
 3335atm(d175,d175_7,h,3,0.068).
 3336atm(d175,d175_8,h,3,0.068).
 3337atm(d175,d175_9,h,3,0.068).
 3338atm(d175,d175_10,h,3,0.068).
 3339atm(d175,d175_11,h,3,0.068).
 3340atm(d175,d175_12,c,10,-0.162).
 3341atm(d175,d175_13,c,10,-0.062).
 3342atm(d175,d175_14,h,3,-0.012).
 3343atm(d175,d175_15,h,3,-0.012).
 3344atm(d175,d175_16,n,32,-0.461).
 3345atm(d175,d175_17,h,3,-0.012).
 3346atm(d175,d175_18,h,3,-0.012).
 3347atm(d175,d175_19,c,14,0.539).
 3348atm(d175,d175_20,n,37,-0.112).
 3349atm(d175,d175_21,n,32,-0.461).
 3350atm(d175,d175_22,c,14,0.539).
 3351atm(d175,d175_23,n,37,-0.112).
 3352atm(d175,d175_24,n,37,-0.511).
 3353atm(d175,d175_25,h,1,0.238).
 3354atm(d175,d175_26,h,1,0.239).
 3355atm(d175,d175_27,h,1,0.239).
 3356atm(d175,d175_28,h,1,0.239).
 3357atm(d175,d175_29,h,2,0.289).
 3358atm(d175,d175_30,h,2,0.289).
 3359atm(d176,d176_1,c,22,-0.13).
 3360atm(d176,d176_2,c,22,-0.13).
 3361atm(d176,d176_3,c,22,0.0).
 3362atm(d176,d176_4,c,22,0.0).
 3363atm(d176,d176_5,c,22,-0.13).
 3364atm(d176,d176_6,c,22,-0.13).
 3365atm(d176,d176_7,h,3,0.13).
 3366atm(d176,d176_8,h,3,0.13).
 3367atm(d176,d176_9,h,3,0.13).
 3368atm(d176,d176_10,h,3,0.13).
 3369atm(d176,d176_11,c,14,0.55).
 3370atm(d176,d176_12,o,40,-0.55).
 3371atm(d176,d176_13,n,32,-0.6).
 3372atm(d176,d176_14,c,14,0.55).
 3373atm(d176,d176_15,n,32,-0.6).
 3374atm(d176,d176_16,o,40,-0.55).
 3375atm(d176,d176_17,h,1,0.3).
 3376atm(d176,d176_18,h,1,0.3).
 3377atm(d176,d176_19,h,1,0.3).
 3378atm(d176,d176_20,h,1,0.3).
 3379atm(d177,d177_1,c,22,-0.124).
 3380atm(d177,d177_2,c,22,-0.124).
 3381atm(d177,d177_3,c,22,0.187).
 3382atm(d177,d177_4,c,22,0.186).
 3383atm(d177,d177_5,c,22,-0.124).
 3384atm(d177,d177_6,c,22,0.006).
 3385atm(d177,d177_7,h,3,0.136).
 3386atm(d177,d177_8,h,3,0.136).
 3387atm(d177,d177_9,o,50,-0.223).
 3388atm(d177,d177_10,c,10,0.096).
 3389atm(d177,d177_11,o,50,-0.223).
 3390atm(d177,d177_12,h,3,0.056).
 3391atm(d177,d177_13,h,3,0.056).
 3392atm(d177,d177_14,c,10,-0.094).
 3393atm(d177,d177_15,c,10,-0.094).
 3394atm(d177,d177_16,h,3,0.056).
 3395atm(d177,d177_17,h,3,0.056).
 3396atm(d177,d177_18,c,10,-0.144).
 3397atm(d177,d177_19,h,3,0.056).
 3398atm(d177,d177_20,h,3,0.056).
 3399atm(d177,d177_21,h,3,0.056).
 3400atm(d177,d177_22,h,3,0.056).
 3401atm(d177,d177_23,h,3,0.056).
 3402atm(d177,d177_24,c,10,0.026).
 3403atm(d177,d177_25,o,50,-0.363).
 3404atm(d177,d177_26,h,3,0.056).
 3405atm(d177,d177_27,h,3,0.056).
 3406atm(d177,d177_28,c,10,0.026).
 3407atm(d177,d177_29,c,10,0.026).
 3408atm(d177,d177_30,h,3,0.066).
 3409atm(d177,d177_31,h,3,0.066).
 3410atm(d177,d177_32,o,50,-0.363).
 3411atm(d177,d177_33,h,3,0.066).
 3412atm(d177,d177_34,h,3,0.066).
 3413atm(d177,d177_35,c,10,0.026).
 3414atm(d177,d177_36,c,10,0.026).
 3415atm(d177,d177_37,h,3,0.066).
 3416atm(d177,d177_38,h,3,0.066).
 3417atm(d177,d177_39,o,50,-0.363).
 3418atm(d177,d177_40,h,3,0.066).
 3419atm(d177,d177_41,h,3,0.066).
 3420atm(d177,d177_42,c,10,0.026).
 3421atm(d177,d177_43,c,10,-0.094).
 3422atm(d177,d177_44,h,3,0.066).
 3423atm(d177,d177_45,h,3,0.066).
 3424atm(d177,d177_46,c,10,-0.094).
 3425atm(d177,d177_47,h,3,0.056).
 3426atm(d177,d177_48,h,3,0.056).
 3427atm(d177,d177_49,c,10,-0.144).
 3428atm(d177,d177_50,h,3,0.056).
 3429atm(d177,d177_51,h,3,0.056).
 3430atm(d177,d177_52,h,3,0.056).
 3431atm(d177,d177_53,h,3,0.056).
 3432atm(d177,d177_54,h,3,0.056).
 3433atm(d178,d178_1,ti,134,1.034).
 3434atm(d178,d178_2,o,40,-0.517).
 3435atm(d178,d178_3,o,40,-0.517).
 3436atm(d179,d179_1,c,22,-0.12).
 3437atm(d179,d179_2,c,22,-0.12).
 3438atm(d179,d179_3,c,22,-0.12).
 3439atm(d179,d179_4,c,22,-0.17).
 3440atm(d179,d179_5,c,22,-0.12).
 3441atm(d179,d179_6,c,22,-0.12).
 3442atm(d179,d179_7,h,3,0.14).
 3443atm(d179,d179_8,h,3,0.14).
 3444atm(d179,d179_9,h,3,0.14).
 3445atm(d179,d179_10,h,3,0.14).
 3446atm(d179,d179_11,c,10,0.01).
 3447atm(d179,d179_12,h,3,0.06).
 3448atm(d179,d179_13,h,3,0.06).
 3449atm(d179,d179_14,h,3,0.06).
 3450atm(d179,d179_15,s,77,0.36).
 3451atm(d179,d179_16,o,40,-0.24).
 3452atm(d179,d179_17,o,40,-0.24).
 3453atm(d179,d179_18,n,32,-0.39).
 3454atm(d179,d179_19,c,14,0.61).
 3455atm(d179,d179_20,o,40,-0.54).
 3456atm(d179,d179_21,n,32,-0.39).
 3457atm(d179,d179_22,c,10,0.01).
 3458atm(d179,d179_23,c,10,-0.09).
 3459atm(d179,d179_24,h,3,0.06).
 3460atm(d179,d179_25,h,3,0.06).
 3461atm(d179,d179_26,c,10,-0.09).
 3462atm(d179,d179_27,h,3,0.06).
 3463atm(d179,d179_28,h,3,0.06).
 3464atm(d179,d179_29,c,10,-0.14).
 3465atm(d179,d179_30,h,3,0.06).
 3466atm(d179,d179_31,h,3,0.06).
 3467atm(d179,d179_32,h,3,0.06).
 3468atm(d179,d179_33,h,3,0.06).
 3469atm(d179,d179_34,h,3,0.06).
 3470atm(d179,d179_35,h,1,0.31).
 3471atm(d179,d179_36,h,1,0.31).
 3472atm(d18,d18_1,c,21,0.03).
 3473atm(d18,d18_2,c,21,0.03).
 3474atm(d18,d18_3,c,21,0.03).
 3475atm(d18,d18_4,s,72,-0.2).
 3476atm(d18,d18_5,n,38,0.831).
 3477atm(d18,d18_6,o,40,-0.369).
 3478atm(d18,d18_7,o,40,-0.369).
 3479atm(d18,d18_8,n,32,-0.369).
 3480atm(d18,d18_9,c,14,0.631).
 3481atm(d18,d18_10,n,32,-0.369).
 3482atm(d18,d18_11,o,40,-0.519).
 3483atm(d18,d18_12,c,10,0.03).
 3484atm(d18,d18_13,c,10,-0.07).
 3485atm(d18,d18_14,h,1,0.331).
 3486atm(d18,d18_15,h,1,0.331).
 3487atm(d18,d18_16,h,3,0.08).
 3488atm(d18,d18_17,h,3,0.08).
 3489atm(d18,d18_18,h,3,0.08).
 3490atm(d18,d18_19,h,3,0.08).
 3491atm(d18,d18_20,h,3,0.08).
 3492atm(d18,d18_21,n,34,-0.509).
 3493atm(d18,d18_22,h,3,0.13).
 3494atm(d180,d180_1,c,22,-0.119).
 3495atm(d180,d180_2,c,22,-0.119).
 3496atm(d180,d180_3,c,26,-0.029).
 3497atm(d180,d180_4,c,26,0.111).
 3498atm(d180,d180_5,c,22,-0.119).
 3499atm(d180,d180_6,c,22,-0.119).
 3500atm(d180,d180_7,c,21,-0.019).
 3501atm(d180,d180_8,c,21,-0.029).
 3502atm(d180,d180_9,n,34,-0.349).
 3503atm(d180,d180_10,h,3,0.141).
 3504atm(d180,d180_11,h,3,0.141).
 3505atm(d180,d180_12,h,3,0.111).
 3506atm(d180,d180_13,h,3,0.141).
 3507atm(d180,d180_14,h,1,0.311).
 3508atm(d180,d180_15,c,10,-0.089).
 3509atm(d180,d180_16,c,10,-0.089).
 3510atm(d180,d180_17,n,36,-0.289).
 3511atm(d180,d180_18,c,14,0.792).
 3512atm(d180,d180_19,o,45,-0.658).
 3513atm(d180,d180_20,o,51,-0.598).
 3514atm(d180,d180_21,h,1,0.261).
 3515atm(d180,d180_22,h,1,0.161).
 3516atm(d180,d180_23,h,1,0.161).
 3517atm(d180,d180_24,h,3,0.061).
 3518atm(d180,d180_25,h,3,0.061).
 3519atm(d180,d180_26,h,3,0.061).
 3520atm(d180,d180_27,h,3,0.111).
 3521atm(d181,d181_1,c,22,-0.118).
 3522atm(d181,d181_2,c,22,-0.118).
 3523atm(d181,d181_3,c,22,-0.118).
 3524atm(d181,d181_4,c,22,-0.118).
 3525atm(d181,d181_5,c,22,-0.118).
 3526atm(d181,d181_6,c,22,-0.118).
 3527atm(d181,d181_7,h,3,0.142).
 3528atm(d181,d181_8,h,3,0.142).
 3529atm(d181,d181_9,h,3,0.142).
 3530atm(d181,d181_10,h,3,0.142).
 3531atm(d181,d181_11,h,3,0.142).
 3532atm(d181,d181_12,c,10,0.102).
 3533atm(d181,d181_13,o,45,-0.639).
 3534atm(d181,d181_14,h,3,0.062).
 3535atm(d181,d181_15,h,3,0.062).
 3536atm(d181,d181_16,h,8,0.411).
 3537atm(d182,d182_1,c,22,-0.143).
 3538atm(d182,d182_2,c,22,-0.143).
 3539atm(d182,d182_3,c,22,-0.143).
 3540atm(d182,d182_4,c,22,0.167).
 3541atm(d182,d182_5,c,22,-0.143).
 3542atm(d182,d182_6,c,22,-0.143).
 3543atm(d182,d182_7,h,3,0.117).
 3544atm(d182,d182_8,h,3,0.117).
 3545atm(d182,d182_9,h,3,0.117).
 3546atm(d182,d182_10,h,3,0.117).
 3547atm(d182,d182_11,h,3,0.117).
 3548atm(d182,d182_12,o,50,-0.243).
 3549atm(d182,d182_13,c,10,0.077).
 3550atm(d182,d182_14,c,14,0.588).
 3551atm(d182,d182_15,h,3,0.037).
 3552atm(d182,d182_16,h,3,0.037).
 3553atm(d182,d182_17,o,40,-0.562).
 3554atm(d182,d182_18,n,32,-0.413).
 3555atm(d182,d182_19,c,193,-0.113).
 3556atm(d182,d182_20,h,1,0.237).
 3557atm(d182,d182_21,c,192,0.568).
 3558atm(d182,d182_22,c,193,-0.113).
 3559atm(d182,d182_23,h,3,0.037).
 3560atm(d182,d182_24,n,33,-0.263).
 3561atm(d182,d182_25,o,40,-0.562).
 3562atm(d182,d182_26,s,74,-0.113).
 3563atm(d182,d182_27,c,10,-0.113).
 3564atm(d182,d182_28,c,10,0.087).
 3565atm(d182,d182_29,h,3,0.037).
 3566atm(d182,d182_30,c,14,0.537).
 3567atm(d182,d182_31,h,3,0.037).
 3568atm(d182,d182_32,o,50,-0.243).
 3569atm(d182,d182_33,o,51,-0.562).
 3570atm(d182,d182_34,k,83,0.988).
 3571atm(d182,d182_35,c,10,-0.113).
 3572atm(d182,d182_36,h,3,0.037).
 3573atm(d182,d182_37,h,3,0.037).
 3574atm(d182,d182_38,h,3,0.037).
 3575atm(d182,d182_39,c,10,-0.113).
 3576atm(d182,d182_40,h,3,0.037).
 3577atm(d182,d182_41,h,3,0.037).
 3578atm(d182,d182_42,h,3,0.037).
 3579atm(d183,d183_1,c,22,-0.106).
 3580atm(d183,d183_2,c,27,0.024).
 3581atm(d183,d183_3,c,22,0.024).
 3582atm(d183,d183_4,c,22,0.024).
 3583atm(d183,d183_5,c,22,0.275).
 3584atm(d183,d183_6,c,22,-0.106).
 3585atm(d183,d183_7,h,3,0.154).
 3586atm(d183,d183_8,h,3,0.154).
 3587atm(d183,d183_9,c,10,-0.076).
 3588atm(d183,d183_10,c,10,0.124).
 3589atm(d183,d183_11,c,16,-0.176).
 3590atm(d183,d183_12,c,14,0.575).
 3591atm(d183,d183_13,h,3,0.074).
 3592atm(d183,d183_14,h,3,0.074).
 3593atm(d183,d183_15,c,10,-0.076).
 3594atm(d183,d183_16,c,10,-0.126).
 3595atm(d183,d183_17,c,10,0.124).
 3596atm(d183,d183_18,c,16,-0.076).
 3597atm(d183,d183_19,h,3,0.124).
 3598atm(d183,d183_20,h,3,0.074).
 3599atm(d183,d183_21,h,3,0.074).
 3600atm(d183,d183_22,c,10,0.124).
 3601atm(d183,d183_23,c,16,-0.076).
 3602atm(d183,d183_24,c,16,-0.175).
 3603atm(d183,d183_25,c,14,0.605).
 3604atm(d183,d183_26,c,10,0.114).
 3605atm(d183,d183_27,h,3,0.074).
 3606atm(d183,d183_28,h,3,0.074).
 3607atm(d183,d183_29,h,3,0.074).
 3608atm(d183,d183_30,o,45,-0.625).
 3609atm(d183,d183_31,h,8,0.425).
 3610atm(d183,d183_32,o,45,-0.625).
 3611atm(d183,d183_33,h,8,0.425).
 3612atm(d183,d183_34,o,40,-0.525).
 3613atm(d183,d183_35,o,42,-0.555).
 3614atm(d183,d183_36,o,45,-0.625).
 3615atm(d183,d183_37,h,8,0.425).
 3616atm(d183,d183_38,o,45,-0.625).
 3617atm(d183,d183_39,h,3,-0.006).
 3618atm(d183,d183_40,h,8,0.425).
 3619atm(d183,d183_41,n,36,-0.275).
 3620atm(d183,d183_42,h,3,0.074).
 3621atm(d183,d183_43,c,10,-0.126).
 3622atm(d183,d183_44,h,3,0.074).
 3623atm(d183,d183_45,h,3,0.074).
 3624atm(d183,d183_46,h,3,0.074).
 3625atm(d183,d183_47,c,10,-0.126).
 3626atm(d183,d183_48,h,3,0.074).
 3627atm(d183,d183_49,h,3,0.074).
 3628atm(d183,d183_50,h,3,0.074).
 3629atm(d183,d183_51,c,14,0.575).
 3630atm(d183,d183_52,n,32,-0.575).
 3631atm(d183,d183_53,o,40,-0.525).
 3632atm(d183,d183_54,h,1,0.325).
 3633atm(d183,d183_55,h,1,0.325).
 3634atm(d183,d183_56,o,45,-0.625).
 3635atm(d183,d183_57,h,8,0.425).
 3636atm(d184,d184_1,c,22,-0.136).
 3637atm(d184,d184_2,c,22,-0.136).
 3638atm(d184,d184_3,c,22,-0.136).
 3639atm(d184,d184_4,c,22,-0.007).
 3640atm(d184,d184_5,c,22,-0.136).
 3641atm(d184,d184_6,c,22,-0.136).
 3642atm(d184,d184_7,h,3,0.123).
 3643atm(d184,d184_8,h,3,0.123).
 3644atm(d184,d184_9,h,3,0.124).
 3645atm(d184,d184_10,h,3,0.124).
 3646atm(d184,d184_11,h,3,0.123).
 3647atm(d184,d184_12,c,10,-0.107).
 3648atm(d184,d184_13,c,10,0.043).
 3649atm(d184,d184_14,h,3,0.043).
 3650atm(d184,d184_15,h,3,0.043).
 3651atm(d184,d184_16,c,10,-0.156).
 3652atm(d184,d184_17,h,3,0.043).
 3653atm(d184,d184_18,h,3,0.043).
 3654atm(d184,d184_19,h,3,0.043).
 3655atm(d184,d184_20,n,36,-0.306).
 3656atm(d184,d184_21,h,3,0.093).
 3657atm(d184,d184_22,h,1,0.144).
 3658atm(d184,d184_23,h,1,0.144).
 3659atm(d185,d185_1,c,10,-0.068).
 3660atm(d185,d185_2,c,10,-0.068).
 3661atm(d185,d185_3,c,14,0.731).
 3662atm(d185,d185_4,h,3,0.082).
 3663atm(d185,d185_5,h,3,0.082).
 3664atm(d185,d185_6,c,14,0.731).
 3665atm(d185,d185_7,h,3,0.082).
 3666atm(d185,d185_8,h,3,0.082).
 3667atm(d185,d185_9,o,51,-0.518).
 3668atm(d185,d185_10,o,51,-0.518).
 3669atm(d185,d185_11,o,49,-0.618).
 3670atm(d186,d186a_1,c,10,0.191).
 3671atm(d186,d186a_2,c,10,0.171).
 3672atm(d186,d186a_3,h,3,0.06).
 3673atm(d186,d186a_4,o,45,-0.649).
 3674atm(d186,d186a_5,h,8,0.401).
 3675atm(d186,d186a_6,o,45,-0.649).
 3676atm(d186,d186a_7,c,10,-0.1).
 3677atm(d186,d186a_8,h,3,0.05).
 3678atm(d186,d186a_9,h,3,0.05).
 3679atm(d186,d186a_10,h,3,0.05).
 3680atm(d186,d186a_11,h,8,0.401).
 3681atm(d186,d186a_12,c,10,0.251).
 3682atm(d186,d186a_13,o,49,-0.649).
 3683atm(d186,d186a_14,c,14,0.701).
 3684atm(d186,d186a_15,h,3,0.181).
 3685atm(d186,d186a_16,c,10,-0.099).
 3686atm(d186,d186a_17,c,10,-0.149).
 3687atm(d186,d186a_18,h,3,0.05).
 3688atm(d186,d186a_19,h,3,0.05).
 3689atm(d186,d186a_20,h,3,0.05).
 3690atm(d186,d186a_21,h,3,0.05).
 3691atm(d186,d186a_22,h,3,0.05).
 3692atm(d186,d186a_23,o,51,-0.549).
 3693atm(d186,d186a_24,c,10,-0.1).
 3694atm(d186,d186a_25,c,10,0.141).
 3695atm(d186,d186a_26,c,10,-0.149).
 3696atm(d186,d186a_27,h,3,0.05).
 3697atm(d186,d186a_28,h,3,0.05).
 3698atm(d186,d186a_29,h,3,0.05).
 3699atm(d186,d186a_30,h,3,0.08).
 3700atm(d186,d186a_31,c,10,-0.149).
 3701atm(d186,d186a_32,c,10,0.141).
 3702atm(d186,d186a_33,h,3,0.035).
 3703atm(d186,d186a_34,o,50,-0.369).
 3704atm(d186,d186a_35,c,10,0.311).
 3705atm(d186,d186a_36,o,50,-0.369).
 3706atm(d186,d186a_37,c,10,0.141).
 3707atm(d186,d186a_38,c,10,0.191).
 3708atm(d186,d186a_39,c,10,-0.099).
 3709atm(d186,d186a_40,c,10,-0.1).
 3710atm(d186,d186a_41,h,3,0.05).
 3711atm(d186,d186a_42,h,3,0.05).
 3712atm(d186,d186a_43,c,10,-0.149).
 3713atm(d186,d186a_44,h,3,0.035).
 3714atm(d186,d186a_45,h,3,0.05).
 3715atm(d186,d186a_46,h,3,0.05).
 3716atm(d186,d186a_47,h,3,0.05).
 3717atm(d186,d186a_48,o,45,-0.649).
 3718atm(d186,d186a_49,h,3,0.06).
 3719atm(d186,d186a_50,h,8,0.401).
 3720atm(d186,d186a_51,o,50,-0.369).
 3721atm(d186,d186a_52,c,10,0.02).
 3722atm(d186,d186a_53,h,3,0.06).
 3723atm(d186,d186a_54,h,3,0.06).
 3724atm(d186,d186a_55,h,3,0.06).
 3725atm(d186,d186a_56,c,10,-0.1).
 3726atm(d186,d186a_57,h,3,0.05).
 3727atm(d186,d186a_58,h,3,0.05).
 3728atm(d186,d186a_59,h,3,0.05).
 3729atm(d186,d186a_60,h,3,0.05).
 3730atm(d186,d186a_61,c,10,-0.149).
 3731atm(d186,d186a_62,h,3,0.05).
 3732atm(d186,d186a_63,h,3,0.05).
 3733atm(d186,d186a_64,h,3,0.05).
 3734atm(d186,d186a_65,h,3,-0.03).
 3735atm(d186,d186a_66,c,10,0.171).
 3736atm(d186,d186a_67,c,10,-0.1).
 3737atm(d186,d186a_68,c,14,0.581).
 3738atm(d186,d186a_69,o,42,-0.579).
 3739atm(d186,d186a_70,c,10,-0.099).
 3740atm(d186,d186a_71,c,10,-0.099).
 3741atm(d186,d186a_72,h,3,0.05).
 3742atm(d186,d186a_73,h,3,0.05).
 3743atm(d186,d186a_74,c,10,-0.149).
 3744atm(d186,d186a_75,h,3,0.05).
 3745atm(d186,d186a_76,h,3,0.05).
 3746atm(d186,d186a_77,h,3,0.05).
 3747atm(d186,d186a_78,h,3,0.08).
 3748atm(d186,d186a_79,c,10,-0.149).
 3749atm(d186,d186a_80,h,3,0.05).
 3750atm(d186,d186a_81,h,3,0.05).
 3751atm(d186,d186a_82,h,3,0.05).
 3752atm(d186,d186a_83,h,3,0.08).
 3753atm(d186,d186a_84,c,10,-0.1).
 3754atm(d186,d186a_85,h,3,0.05).
 3755atm(d186,d186a_86,h,3,0.05).
 3756atm(d186,d186a_87,h,3,0.05).
 3757atm(d186,d186a_88,o,45,-0.649).
 3758atm(d186,d186a_89,h,8,0.401).
 3759atm(d186,d186a_90,h,3,0.035).
 3760atm(d186,d186a_91,o,50,-0.369).
 3761atm(d186,d186a_92,c,10,0.311).
 3762atm(d186,d186a_93,o,50,-0.369).
 3763atm(d186,d186a_94,c,10,0.141).
 3764atm(d186,d186a_95,c,10,-0.1).
 3765atm(d186,d186a_96,c,10,0.05).
 3766atm(d186,d186a_97,c,10,0.191).
 3767atm(d186,d186a_98,h,3,0.05).
 3768atm(d186,d186a_99,h,3,0.05).
 3769atm(d186,d186a_100,h,3,0.05).
 3770atm(d186,d186a_101,o,45,-0.649).
 3771atm(d186,d186a_102,h,3,0.06).
 3772atm(d186,d186a_103,h,8,0.401).
 3773atm(d186,d186a_104,n,36,-0.299).
 3774atm(d186,d186a_105,h,3,0.101).
 3775atm(d186,d186a_106,c,10,0.101).
 3776atm(d186,d186a_107,h,3,0.05).
 3777atm(d186,d186a_108,h,3,0.05).
 3778atm(d186,d186a_109,h,3,0.05).
 3779atm(d186,d186a_110,c,10,0.101).
 3780atm(d186,d186a_111,h,3,0.05).
 3781atm(d186,d186a_112,h,3,0.05).
 3782atm(d186,d186a_113,h,3,0.05).
 3783atm(d186,d186a_114,c,10,0.101).
 3784atm(d186,d186a_115,h,3,0.05).
 3785atm(d186,d186a_116,h,3,0.05).
 3786atm(d186,d186a_117,h,3,0.05).
 3787atm(d186,d186a_118,c,10,-0.149).
 3788atm(d186,d186a_119,h,3,0.035).
 3789atm(d186,d186a_120,h,3,0.05).
 3790atm(d186,d186a_121,h,3,0.05).
 3791atm(d186,d186a_122,h,3,0.05).
 3792atm(d186,d186b_1,c,10,-0.145).
 3793atm(d186,d186b_2,c,10,-0.095).
 3794atm(d186,d186b_3,h,3,0.054).
 3795atm(d186,d186b_4,h,3,0.055).
 3796atm(d186,d186b_5,h,3,0.055).
 3797atm(d186,d186b_6,c,10,-0.095).
 3798atm(d186,d186b_7,h,3,0.054).
 3799atm(d186,d186b_8,h,3,0.054).
 3800atm(d186,d186b_9,c,10,-0.095).
 3801atm(d186,d186b_10,h,3,0.054).
 3802atm(d186,d186b_11,h,3,0.054).
 3803atm(d186,d186b_12,c,10,-0.095).
 3804atm(d186,d186b_13,h,3,0.054).
 3805atm(d186,d186b_14,h,3,0.054).
 3806atm(d186,d186b_15,c,10,-0.095).
 3807atm(d186,d186b_16,h,3,0.054).
 3808atm(d186,d186b_17,h,3,0.054).
 3809atm(d186,d186b_18,c,10,-0.095).
 3810atm(d186,d186b_19,h,3,0.054).
 3811atm(d186,d186b_20,h,3,0.054).
 3812atm(d186,d186b_21,c,10,-0.095).
 3813atm(d186,d186b_22,h,3,0.054).
 3814atm(d186,d186b_23,h,3,0.055).
 3815atm(d186,d186b_24,c,10,-0.095).
 3816atm(d186,d186b_25,h,3,0.055).
 3817atm(d186,d186b_26,h,3,0.055).
 3818atm(d186,d186b_27,c,10,-0.095).
 3819atm(d186,d186b_28,h,3,0.054).
 3820atm(d186,d186b_29,h,3,0.054).
 3821atm(d186,d186b_30,c,10,-0.095).
 3822atm(d186,d186b_31,h,3,0.054).
 3823atm(d186,d186b_32,h,3,0.054).
 3824atm(d186,d186b_33,c,10,-0.095).
 3825atm(d186,d186b_34,h,3,0.054).
 3826atm(d186,d186b_35,h,3,0.054).
 3827atm(d186,d186b_36,c,10,-0.095).
 3828atm(d186,d186b_37,h,3,0.054).
 3829atm(d186,d186b_38,h,3,0.054).
 3830atm(d186,d186b_39,c,10,-0.095).
 3831atm(d186,d186b_40,h,3,0.054).
 3832atm(d186,d186b_41,h,3,0.054).
 3833atm(d186,d186b_42,c,10,-0.095).
 3834atm(d186,d186b_43,h,3,0.054).
 3835atm(d186,d186b_44,h,3,0.054).
 3836atm(d186,d186b_45,c,10,-0.095).
 3837atm(d186,d186b_46,h,3,0.054).
 3838atm(d186,d186b_47,h,3,0.054).
 3839atm(d186,d186b_48,c,10,-0.095).
 3840atm(d186,d186b_49,h,3,0.054).
 3841atm(d186,d186b_50,h,3,0.054).
 3842atm(d186,d186b_51,c,14,0.785).
 3843atm(d186,d186b_52,h,3,0.054).
 3844atm(d186,d186b_53,h,3,0.054).
 3845atm(d186,d186b_54,o,45,-0.665).
 3846atm(d186,d186b_55,o,51,-0.605).
 3847atm(d186,d186b_56,h,1,0.255).
 3848atm(d187,d187_1,c,22,-0.121).
 3849atm(d187,d187_2,c,22,-0.121).
 3850atm(d187,d187_3,c,22,-0.121).
 3851atm(d187,d187_4,c,22,-0.121).
 3852atm(d187,d187_5,c,22,-0.121).
 3853atm(d187,d187_6,c,22,0.259).
 3854atm(d187,d187_7,h,3,0.139).
 3855atm(d187,d187_8,h,3,0.139).
 3856atm(d187,d187_9,h,3,0.139).
 3857atm(d187,d187_10,h,3,0.139).
 3858atm(d187,d187_11,o,45,-0.64).
 3859atm(d187,d187_12,c,10,0.009).
 3860atm(d187,d187_13,o,45,-0.64).
 3861atm(d187,d187_14,c,10,0.009).
 3862atm(d187,d187_15,h,3,0.059).
 3863atm(d187,d187_16,n,36,-0.29).
 3864atm(d187,d187_17,h,3,0.059).
 3865atm(d187,d187_18,h,3,0.059).
 3866atm(d187,d187_19,c,10,0.009).
 3867atm(d187,d187_20,h,3,0.059).
 3868atm(d187,d187_21,h,3,0.059).
 3869atm(d187,d187_22,h,3,0.059).
 3870atm(d187,d187_23,h,8,0.41).
 3871atm(d187,d187_24,h,1,0.159).
 3872atm(d187,d187_25,h,8,0.41).
 3873atm(d188,d188a_1,c,22,-0.127).
 3874atm(d188,d188a_2,c,22,-0.127).
 3875atm(d188,d188a_3,c,22,-0.176).
 3876atm(d188,d188a_4,c,22,-0.127).
 3877atm(d188,d188a_5,c,22,-0.176).
 3878atm(d188,d188a_6,c,22,-0.127).
 3879atm(d188,d188a_7,h,3,0.134).
 3880atm(d188,d188a_8,h,3,0.134).
 3881atm(d188,d188a_9,h,3,0.134).
 3882atm(d188,d188a_10,h,3,0.134).
 3883atm(d188,d188a_11,c,10,0.003).
 3884atm(d188,d188a_12,h,3,0.053).
 3885atm(d188,d188a_13,h,3,0.053).
 3886atm(d188,d188a_14,h,3,0.053).
 3887atm(d188,d188a_15,c,10,0.003).
 3888atm(d188,d188a_16,h,3,0.053).
 3889atm(d188,d188a_17,h,3,0.053).
 3890atm(d188,d188a_18,h,3,0.053).
 3891atm(d188,d188b_1,c,22,-0.127).
 3892atm(d188,d188b_2,c,22,-0.176).
 3893atm(d188,d188b_3,c,22,-0.127).
 3894atm(d188,d188b_4,c,22,-0.127).
 3895atm(d188,d188b_5,c,22,-0.176).
 3896atm(d188,d188b_6,c,22,-0.127).
 3897atm(d188,d188b_7,h,3,0.134).
 3898atm(d188,d188b_8,h,3,0.134).
 3899atm(d188,d188b_9,h,3,0.134).
 3900atm(d188,d188b_10,c,10,0.003).
 3901atm(d188,d188b_11,h,3,0.053).
 3902atm(d188,d188b_12,h,3,0.053).
 3903atm(d188,d188b_13,h,3,0.053).
 3904atm(d188,d188b_14,h,3,0.134).
 3905atm(d188,d188b_15,c,10,0.003).
 3906atm(d188,d188b_16,h,3,0.053).
 3907atm(d188,d188b_17,h,3,0.053).
 3908atm(d188,d188b_18,h,3,0.053).
 3909atm(d188,d188c_1,c,22,-0.127).
 3910atm(d188,d188c_2,c,22,-0.127).
 3911atm(d188,d188c_3,c,22,-0.127).
 3912atm(d188,d188c_4,c,22,-0.176).
 3913atm(d188,d188c_5,c,22,-0.176).
 3914atm(d188,d188c_6,c,22,-0.127).
 3915atm(d188,d188c_7,h,3,0.134).
 3916atm(d188,d188c_8,h,3,0.134).
 3917atm(d188,d188c_9,h,3,0.134).
 3918atm(d188,d188c_10,h,3,0.134).
 3919atm(d188,d188c_11,c,10,0.003).
 3920atm(d188,d188c_12,h,3,0.053).
 3921atm(d188,d188c_13,h,3,0.053).
 3922atm(d188,d188c_14,h,3,0.053).
 3923atm(d188,d188c_15,c,10,0.003).
 3924atm(d188,d188c_16,h,3,0.053).
 3925atm(d188,d188c_17,h,3,0.053).
 3926atm(d188,d188c_18,h,3,0.053).
 3927atm(d188,d188d_1,c,22,-0.132).
 3928atm(d188,d188d_2,c,22,-0.132).
 3929atm(d188,d188d_3,c,22,-0.132).
 3930atm(d188,d188d_4,c,22,-0.133).
 3931atm(d188,d188d_5,c,22,-0.003).
 3932atm(d188,d188d_6,c,22,-0.132).
 3933atm(d188,d188d_7,h,3,0.127).
 3934atm(d188,d188d_8,h,3,0.127).
 3935atm(d188,d188d_9,h,3,0.127).
 3936atm(d188,d188d_10,h,3,0.127).
 3937atm(d188,d188d_11,h,3,0.127).
 3938atm(d188,d188d_12,c,10,-0.103).
 3939atm(d188,d188d_13,c,10,-0.103).
 3940atm(d188,d188d_14,h,3,0.047).
 3941atm(d188,d188d_15,h,3,0.047).
 3942atm(d188,d188d_16,h,3,0.047).
 3943atm(d188,d188d_17,h,3,0.047).
 3944atm(d188,d188d_18,h,3,0.047).
 3945atm(d189,d189_1,c,22,-0.12).
 3946atm(d189,d189_2,c,22,-0.12).
 3947atm(d189,d189_3,c,22,-0.12).
 3948atm(d189,d189_4,c,22,-0.12).
 3949atm(d189,d189_5,c,22,-0.121).
 3950atm(d189,d189_6,c,22,-0.12).
 3951atm(d189,d189_7,h,3,0.139).
 3952atm(d189,d189_8,h,3,0.139).
 3953atm(d189,d189_9,h,3,0.139).
 3954atm(d189,d189_10,h,3,0.139).
 3955atm(d189,d189_11,h,3,0.139).
 3956atm(d189,d189_12,c,10,0.01).
 3957atm(d189,d189_13,c,10,0.01).
 3958atm(d189,d189_14,n,36,-0.291).
 3959atm(d189,d189_15,h,3,0.06).
 3960atm(d189,d189_16,h,3,0.06).
 3961atm(d189,d189_17,c,10,0.01).
 3962atm(d189,d189_18,h,3,0.06).
 3963atm(d189,d189_19,h,3,0.06).
 3964atm(d189,d189_20,h,3,0.06).
 3965atm(d189,d189_21,o,45,-0.641).
 3966atm(d189,d189_22,h,3,0.06).
 3967atm(d189,d189_23,h,8,0.409).
 3968atm(d189,d189_24,h,1,0.159).
 3969atm(d19,d19_1,c,22,-0.125).
 3970atm(d19,d19_2,c,22,-0.125).
 3971atm(d19,d19_3,c,27,0.005).
 3972atm(d19,d19_4,c,27,0.005).
 3973atm(d19,d19_5,c,22,0.005).
 3974atm(d19,d19_6,c,22,-0.124).
 3975atm(d19,d19_7,h,3,0.136).
 3976atm(d19,d19_8,h,3,0.136).
 3977atm(d19,d19_9,h,3,0.136).
 3978atm(d19,d19_10,c,22,-0.125).
 3979atm(d19,d19_11,c,22,-0.124).
 3980atm(d19,d19_12,c,22,-0.125).
 3981atm(d19,d19_13,c,22,0.005).
 3982atm(d19,d19_14,h,3,0.136).
 3983atm(d19,d19_15,h,3,0.136).
 3984atm(d19,d19_16,c,10,-0.095).
 3985atm(d19,d19_17,c,10,-0.095).
 3986atm(d19,d19_18,h,3,0.055).
 3987atm(d19,d19_19,h,3,0.055).
 3988atm(d19,d19_20,h,3,0.055).
 3989atm(d19,d19_21,h,3,0.055).
 3990atm(d19,d19_22,n,38,0.806).
 3991atm(d19,d19_23,o,40,-0.394).
 3992atm(d19,d19_24,o,40,-0.394).
 3993atm(d190,d190_1,c,22,-0.128).
 3994atm(d190,d190_2,c,22,-0.128).
 3995atm(d190,d190_3,c,22,-0.128).
 3996atm(d190,d190_4,c,22,-0.128).
 3997atm(d190,d190_5,c,22,-0.178).
 3998atm(d190,d190_6,c,22,-0.128).
 3999atm(d190,d190_7,h,3,0.132).
 4000atm(d190,d190_8,h,3,0.132).
 4001atm(d190,d190_9,h,3,0.132).
 4002atm(d190,d190_10,h,3,0.132).
 4003atm(d190,d190_11,h,3,0.132).
 4004atm(d190,d190_12,c,10,0.002).
 4005atm(d190,d190_13,h,3,0.052).
 4006atm(d190,d190_14,h,3,0.052).
 4007atm(d190,d190_15,h,3,0.052).
 4008atm(d191,d191_1,c,10,-0.126).
 4009atm(d191,d191_2,c,10,-0.126).
 4010atm(d191,d191_3,h,3,0.075).
 4011atm(d191,d191_4,h,3,0.075).
 4012atm(d191,d191_5,h,3,0.075).
 4013atm(d191,d191_6,c,10,-0.126).
 4014atm(d191,d191_7,h,3,0.075).
 4015atm(d191,d191_8,h,3,0.075).
 4016atm(d191,d191_9,h,3,0.075).
 4017atm(d191,d191_10,c,10,-0.075).
 4018atm(d191,d191_11,h,3,-0.005).
 4019atm(d191,d191_12,c,14,0.724).
 4020atm(d191,d191_13,h,3,0.075).
 4021atm(d191,d191_14,h,3,0.075).
 4022atm(d191,d191_15,o,51,-0.526).
 4023atm(d191,d191_16,o,49,-0.626).
 4024atm(d191,d191_17,c,10,0.115).
 4025atm(d191,d191_18,c,16,-0.176).
 4026atm(d191,d191_19,h,3,0.075).
 4027atm(d191,d191_20,h,3,0.075).
 4028atm(d191,d191_21,c,16,-0.176).
 4029atm(d191,d191_22,h,3,0.124).
 4030atm(d191,d191_23,h,3,0.125).
 4031atm(d191,d191_24,h,3,0.124).
 4032atm(d192,d192_1,c,22,-0.12).
 4033atm(d192,d192_2,c,22,-0.12).
 4034atm(d192,d192_3,c,22,-0.12).
 4035atm(d192,d192_4,c,22,0.01).
 4036atm(d192,d192_5,c,22,0.209).
 4037atm(d192,d192_6,c,22,-0.12).
 4038atm(d192,d192_7,h,3,0.14).
 4039atm(d192,d192_8,h,3,0.14).
 4040atm(d192,d192_9,h,3,0.14).
 4041atm(d192,d192_10,h,3,0.139).
 4042atm(d192,d192_11,n,32,-0.771).
 4043atm(d192,d192_12,c,14,0.709).
 4044atm(d192,d192_13,o,49,-0.641).
 4045atm(d192,d192_14,c,10,0.1).
 4046atm(d192,d192_15,c,16,-0.191).
 4047atm(d192,d192_16,h,3,0.06).
 4048atm(d192,d192_17,h,3,0.06).
 4049atm(d192,d192_18,c,16,-0.191).
 4050atm(d192,d192_19,h,1,0.339).
 4051atm(d192,d192_20,h,1,0.339).
 4052atm(d192,d192_21,o,51,-0.541).
 4053atm(d192,d192_22,h,3,0.11).
 4054atm(d192,d192_23,c,22,0.11).
 4055atm(d192,d192_24,h,3,0.11).
 4056atm(d192,d192_25,c,22,-0.12).
 4057atm(d192,d192_26,c,22,-0.12).
 4058atm(d192,d192_27,c,22,-0.12).
 4059atm(d192,d192_28,c,22,-0.12).
 4060atm(d192,d192_29,c,22,-0.12).
 4061atm(d192,d192_30,h,3,0.14).
 4062atm(d192,d192_31,h,3,0.14).
 4063atm(d192,d192_32,h,3,0.14).
 4064atm(d192,d192_33,h,3,0.14).
 4065atm(d192,d192_34,h,3,0.14).
 4066atm(d193,d193_1,c,10,0.033).
 4067atm(d193,d193_2,o,50,-0.358).
 4068atm(d193,d193_3,c,10,0.033).
 4069atm(d193,d193_4,c,10,0.033).
 4070atm(d193,d193_5,o,50,-0.358).
 4071atm(d193,d193_6,c,10,0.033).
 4072atm(d193,d193_7,h,3,0.073).
 4073atm(d193,d193_8,h,3,0.073).
 4074atm(d193,d193_9,h,3,0.073).
 4075atm(d193,d193_10,h,3,0.073).
 4076atm(d193,d193_11,h,3,0.073).
 4077atm(d193,d193_12,h,3,0.073).
 4078atm(d193,d193_13,h,3,0.073).
 4079atm(d193,d193_14,h,3,0.073).
 4080atm(d194,d194_1,s,70,-0.65).
 4081atm(d194,d194_2,se,102,0.65).
 4082atm(d195,d195_1,c,22,-0.14).
 4083atm(d195,d195_2,c,22,-0.14).
 4084atm(d195,d195_3,c,26,0.091).
 4085atm(d195,d195_4,c,26,0.091).
 4086atm(d195,d195_5,c,22,-0.14).
 4087atm(d195,d195_6,c,22,-0.14).
 4088atm(d195,d195_7,c,21,-0.109).
 4089atm(d195,d195_8,c,21,-0.14).
 4090atm(d195,d195_9,o,52,-0.039).
 4091atm(d195,d195_10,h,3,0.121).
 4092atm(d195,d195_11,h,3,0.121).
 4093atm(d195,d195_12,h,3,0.091).
 4094atm(d195,d195_13,h,3,0.121).
 4095atm(d195,d195_14,h,3,0.091).
 4096atm(d195,d195_15,h,3,0.121).
 4097atm(d196,d196_1,c,21,0.184).
 4098atm(d196,d196_2,c,21,-0.145).
 4099atm(d196,d196_3,c,21,-0.146).
 4100atm(d196,d196_4,c,21,-0.145).
 4101atm(d196,d196_5,o,52,-0.045).
 4102atm(d196,d196_6,c,14,0.214).
 4103atm(d196,d196_7,o,41,-0.446).
 4104atm(d196,d196_8,h,3,0.184).
 4105atm(d196,d196_9,h,3,0.115).
 4106atm(d196,d196_10,h,3,0.115).
 4107atm(d196,d196_11,h,3,0.115).
 4108atm(d197,d197_1,c,22,-0.122).
 4109atm(d197,d197_2,c,22,0.208).
 4110atm(d197,d197_3,c,22,-0.122).
 4111atm(d197,d197_4,c,22,-0.122).
 4112atm(d197,d197_5,c,22,-0.122).
 4113atm(d197,d197_6,c,22,-0.122).
 4114atm(d197,d197_7,h,3,0.138).
 4115atm(d197,d197_8,h,3,0.138).
 4116atm(d197,d197_9,h,3,0.138).
 4117atm(d197,d197_10,h,3,0.138).
 4118atm(d197,d197_11,h,3,0.138).
 4119atm(d197,d197_12,c,22,-0.122).
 4120atm(d197,d197_13,c,22,-0.122).
 4121atm(d197,d197_14,c,22,-0.122).
 4122atm(d197,d197_15,c,22,0.208).
 4123atm(d197,d197_16,c,22,-0.122).
 4124atm(d197,d197_17,c,22,-0.122).
 4125atm(d197,d197_18,h,3,0.138).
 4126atm(d197,d197_19,h,3,0.138).
 4127atm(d197,d197_20,h,3,0.138).
 4128atm(d197,d197_21,h,3,0.138).
 4129atm(d197,d197_22,h,3,0.138).
 4130atm(d197,d197_23,n,32,-0.391).
 4131atm(d197,d197_24,n,32,-0.391).
 4132atm(d197,d197_25,c,14,0.609).
 4133atm(d197,d197_26,c,10,-0.092).
 4134atm(d197,d197_27,c,14,0.609).
 4135atm(d197,d197_28,c,10,-0.092).
 4136atm(d197,d197_29,h,3,0.058).
 4137atm(d197,d197_30,c,10,-0.092).
 4138atm(d197,d197_31,h,3,0.058).
 4139atm(d197,d197_32,h,3,0.058).
 4140atm(d197,d197_33,c,10,-0.092).
 4141atm(d197,d197_34,h,3,0.058).
 4142atm(d197,d197_35,h,3,0.058).
 4143atm(d197,d197_36,c,10,-0.142).
 4144atm(d197,d197_37,h,3,0.058).
 4145atm(d197,d197_38,h,3,0.058).
 4146atm(d197,d197_39,o,40,-0.541).
 4147atm(d197,d197_40,o,40,-0.541).
 4148atm(d197,d197_41,h,3,0.058).
 4149atm(d197,d197_42,h,3,0.058).
 4150atm(d197,d197_43,h,3,0.058).
 4151atm(d198,d198_1,c,10,-0.11).
 4152atm(d198,d198_2,c,10,-0.01).
 4153atm(d198,d198_3,h,3,0.04).
 4154atm(d198,d198_4,h,3,0.04).
 4155atm(d198,d198_5,h,3,0.04).
 4156atm(d198,d198_6,n,36,-0.41).
 4157atm(d198,d198_7,h,3,0.04).
 4158atm(d198,d198_8,h,3,0.04).
 4159atm(d198,d198_9,c,14,0.54).
 4160atm(d198,d198_10,n,36,-0.41).
 4161atm(d198,d198_11,h,1,0.14).
 4162atm(d198,d198_12,c,10,-0.01).
 4163atm(d198,d198_13,h,1,0.14).
 4164atm(d198,d198_14,c,10,-0.11).
 4165atm(d198,d198_15,h,3,0.04).
 4166atm(d198,d198_16,h,3,0.04).
 4167atm(d198,d198_17,h,3,0.04).
 4168atm(d198,d198_18,h,3,0.04).
 4169atm(d198,d198_19,h,3,0.04).
 4170atm(d198,d198_20,s,75,-0.16).
 4171atm(d199,d199_1,c,22,-0.092).
 4172atm(d199,d199_2,c,22,-0.092).
 4173atm(d199,d199_3,c,22,-0.092).
 4174atm(d199,d199_4,c,22,0.238).
 4175atm(d199,d199_5,c,22,-0.092).
 4176atm(d199,d199_6,c,22,-0.092).
 4177atm(d199,d199_7,h,3,0.168).
 4178atm(d199,d199_8,h,3,0.168).
 4179atm(d199,d199_9,h,3,0.168).
 4180atm(d199,d199_10,h,3,0.168).
 4181atm(d199,d199_11,h,3,0.168).
 4182atm(d199,d199_12,n,32,-0.362).
 4183atm(d199,d199_13,c,22,0.238).
 4184atm(d199,d199_14,c,22,-0.092).
 4185atm(d199,d199_15,c,22,-0.092).
 4186atm(d199,d199_16,c,22,-0.092).
 4187atm(d199,d199_17,c,22,-0.092).
 4188atm(d199,d199_18,c,22,-0.092).
 4189atm(d199,d199_19,h,3,0.168).
 4190atm(d199,d199_20,h,3,0.168).
 4191atm(d199,d199_21,h,3,0.168).
 4192atm(d199,d199_22,h,3,0.168).
 4193atm(d199,d199_23,h,3,0.168).
 4194atm(d199,d199_24,n,32,-0.362).
 4195atm(d199,d199_25,o,40,-0.512).
 4196atm(d2,d2_1,c,22,-0.151).
 4197atm(d2,d2_2,c,22,-0.151).
 4198atm(d2,d2_3,c,26,0.079).
 4199atm(d2,d2_4,c,26,0.279).
 4200atm(d2,d2_5,c,22,-0.151).
 4201atm(d2,d2_6,c,22,-0.151).
 4202atm(d2,d2_7,h,3,0.109).
 4203atm(d2,d2_8,h,3,0.109).
 4204atm(d2,d2_9,h,3,0.109).
 4205atm(d2,d2_10,h,3,0.109).
 4206atm(d2,d2_11,c,26,0.079).
 4207atm(d2,d2_12,c,26,0.279).
 4208atm(d2,d2_13,n,34,-0.421).
 4209atm(d2,d2_14,c,22,-0.151).
 4210atm(d2,d2_15,c,22,-0.151).
 4211atm(d2,d2_16,c,22,0.179).
 4212atm(d2,d2_17,c,22,-0.151).
 4213atm(d2,d2_18,h,3,0.109).
 4214atm(d2,d2_19,h,3,0.109).
 4215atm(d2,d2_20,h,3,0.109).
 4216atm(d2,d2_21,c,10,-0.021).
 4217atm(d2,d2_22,c,10,-0.121).
 4218atm(d2,d2_23,h,3,0.029).
 4219atm(d2,d2_24,h,3,0.029).
 4220atm(d2,d2_25,h,3,0.029).
 4221atm(d2,d2_26,h,3,0.029).
 4222atm(d2,d2_27,h,3,0.029).
 4223atm(d2,d2_28,n,32,-0.801).
 4224atm(d2,d2_29,h,1,0.309).
 4225atm(d2,d2_30,h,1,0.309).
 4226atm(d20,d20_1,c,22,-0.137).
 4227atm(d20,d20_2,c,22,-0.137).
 4228atm(d20,d20_3,c,22,-0.137).
 4229atm(d20,d20_4,c,22,0.173).
 4230atm(d20,d20_5,c,22,0.193).
 4231atm(d20,d20_6,c,22,-0.137).
 4232atm(d20,d20_7,h,3,0.123).
 4233atm(d20,d20_8,h,3,0.123).
 4234atm(d20,d20_9,h,3,0.123).
 4235atm(d20,d20_10,o,50,-0.237).
 4236atm(d20,d20_11,n,32,-0.787).
 4237atm(d20,d20_12,n,38,0.793).
 4238atm(d20,d20_13,c,10,0.083).
 4239atm(d20,d20_14,h,3,0.043).
 4240atm(d20,d20_15,h,3,0.043).
 4241atm(d20,d20_16,h,3,0.043).
 4242atm(d20,d20_17,o,40,-0.407).
 4243atm(d20,d20_18,o,40,-0.407).
 4244atm(d20,d20_19,h,1,0.323).
 4245atm(d20,d20_20,h,1,0.323).
 4246atm(d200,d200_1,c,22,-0.13).
 4247atm(d200,d200_2,c,22,-0.13).
 4248atm(d200,d200_3,c,22,-0.13).
 4249atm(d200,d200_4,c,22,-0.13).
 4250atm(d200,d200_5,c,22,0.0).
 4251atm(d200,d200_6,c,22,-0.13).
 4252atm(d200,d200_7,h,3,0.13).
 4253atm(d200,d200_8,h,3,0.13).
 4254atm(d200,d200_9,h,3,0.13).
 4255atm(d200,d200_10,h,3,0.13).
 4256atm(d200,d200_11,h,3,0.13).
 4257atm(d200,d200_12,c,14,0.23).
 4258atm(d200,d200_13,o,41,-0.43).
 4259atm(d200,d200_14,h,3,0.2).
 4260atm(d201,d201_1,c,29,-0.005).
 4261atm(d201,d201_2,c,27,-0.105).
 4262atm(d201,d201_3,c,27,-0.105).
 4263atm(d201,d201_4,c,22,0.095).
 4264atm(d201,d201_5,c,22,-0.136).
 4265atm(d201,d201_6,c,22,-0.136).
 4266atm(d201,d201_7,c,29,-0.005).
 4267atm(d201,d201_8,c,29,-0.005).
 4268atm(d201,d201_9,c,22,0.095).
 4269atm(d201,d201_10,c,14,0.544).
 4270atm(d201,d201_11,c,22,0.095).
 4271atm(d201,d201_12,c,22,-0.135).
 4272atm(d201,d201_13,c,22,-0.135).
 4273atm(d201,d201_14,c,22,-0.135).
 4274atm(d201,d201_15,c,22,-0.135).
 4275atm(d201,d201_16,c,22,-0.135).
 4276atm(d201,d201_17,c,22,-0.136).
 4277atm(d201,d201_18,o,40,-0.556).
 4278atm(d201,d201_19,c,29,-0.005).
 4279atm(d201,d201_20,c,22,0.095).
 4280atm(d201,d201_21,c,14,0.544).
 4281atm(d201,d201_22,c,22,-0.135).
 4282atm(d201,d201_23,c,22,-0.136).
 4283atm(d201,d201_24,c,22,-0.136).
 4284atm(d201,d201_25,c,22,-0.136).
 4285atm(d201,d201_26,h,3,0.125).
 4286atm(d201,d201_27,h,3,0.125).
 4287atm(d201,d201_28,h,3,0.125).
 4288atm(d201,d201_29,h,3,0.125).
 4289atm(d201,d201_30,h,3,0.125).
 4290atm(d201,d201_31,h,3,0.125).
 4291atm(d201,d201_32,h,3,0.125).
 4292atm(d201,d201_33,h,3,0.125).
 4293atm(d201,d201_34,h,3,0.125).
 4294atm(d201,d201_35,h,3,0.125).
 4295atm(d201,d201_36,h,3,0.125).
 4296atm(d201,d201_37,h,3,0.125).
 4297atm(d201,d201_38,o,40,-0.556).
 4298atm(d202,d202_1,c,10,-0.299).
 4299atm(d202,d202_2,c,10,0.101).
 4300atm(d202,d202_3,c,16,-0.199).
 4301atm(d202,d202_4,c,16,-0.199).
 4302atm(d202,d202_5,c,14,0.581).
 4303atm(d202,d202_6,c,10,-0.099).
 4304atm(d202,d202_7,h,3,0.052).
 4305atm(d202,d202_8,h,3,0.052).
 4306atm(d202,d202_9,h,3,0.052).
 4307atm(d202,d202_10,h,3,0.052).
 4308atm(d202,d202_11,c,10,-0.088).
 4309atm(d202,d202_12,h,3,0.052).
 4310atm(d202,d202_13,h,3,0.052).
 4311atm(d202,d202_14,h,3,0.052).
 4312atm(d202,d202_15,c,10,-0.088).
 4313atm(d202,d202_16,h,3,0.052).
 4314atm(d202,d202_17,h,3,0.052).
 4315atm(d202,d202_18,h,3,0.052).
 4316atm(d202,d202_19,c,10,0.092).
 4317atm(d202,d202_20,h,3,0.052).
 4318atm(d202,d202_21,h,3,0.052).
 4319atm(d202,d202_22,h,3,0.052).
 4320atm(d202,d202_23,o,42,-0.579).
 4321atm(d202,d202_24,h,3,0.101).
 4322atm(d203,d203_1,c,22,0.874).
 4323atm(d203,d203_2,n,35,-0.766).
 4324atm(d203,d203_3,c,22,0.874).
 4325atm(d203,d203_4,n,35,-0.766).
 4326atm(d203,d203_5,c,22,0.874).
 4327atm(d203,d203_6,n,35,-0.766).
 4328atm(d203,d203_7,n,32,-0.776).
 4329atm(d203,d203_8,n,32,-0.776).
 4330atm(d203,d203_9,n,32,-0.776).
 4331atm(d203,d203_10,h,1,0.334).
 4332atm(d203,d203_11,h,1,0.334).
 4333atm(d203,d203_12,h,1,0.334).
 4334atm(d203,d203_13,h,1,0.334).
 4335atm(d203,d203_14,h,1,0.334).
 4336atm(d203,d203_15,h,1,0.334).
 4337atm(d204,d204_1,n,36,-0.334).
 4338atm(d204,d204_2,c,10,0.055).
 4339atm(d204,d204_3,h,3,0.015).
 4340atm(d204,d204_4,h,3,0.015).
 4341atm(d204,d204_5,h,3,0.015).
 4342atm(d204,d204_6,c,14,0.516).
 4343atm(d204,d204_7,n,36,-0.334).
 4344atm(d204,d204_8,c,10,-0.035).
 4345atm(d204,d204_9,h,3,0.015).
 4346atm(d204,d204_10,h,3,0.015).
 4347atm(d204,d204_11,h,3,0.015).
 4348atm(d204,d204_12,c,10,-0.035).
 4349atm(d204,d204_13,h,3,0.015).
 4350atm(d204,d204_14,h,3,0.015).
 4351atm(d204,d204_15,h,3,0.015).
 4352atm(d204,d204_16,s,75,-0.184).
 4353atm(d204,d204_17,h,1,0.216).
 4354atm(d205,d205_1,s,74,-0.213).
 4355atm(d205,d205_2,zn,87,1.908).
 4356atm(d205,d205_3,s,70,-0.393).
 4357atm(d205,d205_4,s,70,-0.392).
 4358atm(d205,d205_5,s,74,-0.213).
 4359atm(d205,d205_6,c,192,0.488).
 4360atm(d205,d205_7,n,36,-0.393).
 4361atm(d205,d205_8,c,10,-0.093).
 4362atm(d205,d205_9,h,3,-0.043).
 4363atm(d205,d205_10,h,3,-0.043).
 4364atm(d205,d205_11,h,3,-0.043).
 4365atm(d205,d205_12,c,10,-0.093).
 4366atm(d205,d205_13,h,3,-0.043).
 4367atm(d205,d205_14,h,3,-0.043).
 4368atm(d205,d205_15,h,3,-0.043).
 4369atm(d205,d205_16,c,192,0.488).
 4370atm(d205,d205_17,n,36,-0.392).
 4371atm(d205,d205_18,c,10,-0.093).
 4372atm(d205,d205_19,h,3,-0.043).
 4373atm(d205,d205_20,h,3,-0.043).
 4374atm(d205,d205_21,h,3,-0.043).
 4375atm(d205,d205_22,c,10,-0.093).
 4376atm(d205,d205_23,h,3,-0.043).
 4377atm(d205,d205_24,h,3,-0.043).
 4378atm(d205,d205_25,h,3,-0.043).
 4379atm(d206,d206_1,c,10,-0.121).
 4380atm(d206,d206_2,c,10,0.079).
 4381atm(d206,d206_3,c,10,0.079).
 4382atm(d206,d206_4,c,16,-0.221).
 4383atm(d206,d206_5,c,16,-0.221).
 4384atm(d206,d206_6,c,10,0.079).
 4385atm(d206,d206_7,c,10,0.07).
 4386atm(d206,d206_8,c,16,-0.221).
 4387atm(d206,d206_9,c,10,0.07).
 4388atm(d206,d206_10,c,16,-0.221).
 4389atm(d206,d206_11,h,3,0.03).
 4390atm(d206,d206_12,h,3,0.03).
 4391atm(d206,d206_13,h,3,0.03).
 4392atm(d206,d206_14,h,3,0.03).
 4393atm(d206,d206_15,h,3,0.03).
 4394atm(d206,d206_16,h,3,0.03).
 4395atm(d206,d206_17,h,3,0.03).
 4396atm(d206,d206_18,h,3,0.03).
 4397atm(d206,d206_19,h,3,0.03).
 4398atm(d206,d206_20,h,3,0.03).
 4399atm(d206,d206_21,h,3,0.03).
 4400atm(d206,d206_22,h,3,0.03).
 4401atm(d206,d206_23,h,3,0.03).
 4402atm(d206,d206_24,h,3,0.079).
 4403atm(d206,d206_25,h,3,0.079).
 4404atm(d206,d206_26,h,3,0.08).
 4405atm(d207,d207_1,c,22,-0.104).
 4406atm(d207,d207_2,c,22,-0.104).
 4407atm(d207,d207_3,c,22,0.026).
 4408atm(d207,d207_4,c,22,0.026).
 4409atm(d207,d207_5,c,22,-0.104).
 4410atm(d207,d207_6,c,22,-0.104).
 4411atm(d207,d207_7,h,3,0.156).
 4412atm(d207,d207_8,h,3,0.155).
 4413atm(d207,d207_9,h,3,0.155).
 4414atm(d207,d207_10,h,3,0.156).
 4415atm(d207,d207_11,c,14,0.725).
 4416atm(d207,d207_12,o,49,-0.625).
 4417atm(d207,d207_13,c,10,0.116).
 4418atm(d207,d207_14,c,16,-0.175).
 4419atm(d207,d207_15,h,3,0.076).
 4420atm(d207,d207_16,h,3,0.076).
 4421atm(d207,d207_17,c,16,-0.175).
 4422atm(d207,d207_18,o,51,-0.525).
 4423atm(d207,d207_19,h,3,0.126).
 4424atm(d207,d207_20,h,3,0.126).
 4425atm(d207,d207_21,h,3,0.126).
 4426atm(d207,d207_22,c,14,0.725).
 4427atm(d207,d207_23,o,49,-0.625).
 4428atm(d207,d207_24,c,10,0.116).
 4429atm(d207,d207_25,c,16,-0.175).
 4430atm(d207,d207_26,h,3,0.076).
 4431atm(d207,d207_27,h,3,0.076).
 4432atm(d207,d207_28,c,16,-0.175).
 4433atm(d207,d207_29,o,51,-0.525).
 4434atm(d207,d207_30,h,3,0.126).
 4435atm(d207,d207_31,h,3,0.126).
 4436atm(d207,d207_32,h,3,0.126).
 4437atm(d208_1,d208_1_1,n,36,-0.335).
 4438atm(d208_1,d208_1_2,c,14,0.515).
 4439atm(d208_1,d208_1_3,n,36,-0.336).
 4440atm(d208_1,d208_1_4,s,75,-0.186).
 4441atm(d208_1,d208_1_5,n,36,-0.336).
 4442atm(d208_1,d208_1_6,c,14,0.515).
 4443atm(d208_1,d208_1_7,n,36,-0.335).
 4444atm(d208_1,d208_1_8,s,75,-0.186).
 4445atm(d208_1,d208_1_9,h,1,0.114).
 4446atm(d208_1,d208_1_10,h,1,0.114).
 4447atm(d208_1,d208_1_11,h,1,0.114).
 4448atm(d208_1,d208_1_12,h,1,0.114).
 4449atm(d208_1,d208_1_13,h,1,0.114).
 4450atm(d208_1,d208_1_14,h,1,0.114).
 4451atm(d208_2,d208_2_1,te,129,0.97).
 4452atm(d208_2,d208_2_2,s,74,-0.149).
 4453atm(d208_2,d208_2_3,s,74,-0.149).
 4454atm(d208_2,d208_2_4,s,74,-0.149).
 4455atm(d208_2,d208_2_5,s,74,-0.149).
 4456atm(d208_2,d208_2_6,c,14,0.521).
 4457atm(d208_2,d208_2_7,n,36,-0.329).
 4458atm(d208_2,d208_2_8,c,10,-0.029).
 4459atm(d208_2,d208_2_9,c,10,-0.129).
 4460atm(d208_2,d208_2_10,h,3,0.021).
 4461atm(d208_2,d208_2_11,h,3,0.021).
 4462atm(d208_2,d208_2_12,h,3,0.021).
 4463atm(d208_2,d208_2_13,h,3,0.021).
 4464atm(d208_2,d208_2_14,h,3,0.021).
 4465atm(d208_2,d208_2_15,c,10,-0.029).
 4466atm(d208_2,d208_2_16,c,10,-0.129).
 4467atm(d208_2,d208_2_17,h,3,0.021).
 4468atm(d208_2,d208_2_18,h,3,0.021).
 4469atm(d208_2,d208_2_19,h,3,0.021).
 4470atm(d208_2,d208_2_20,h,3,0.021).
 4471atm(d208_2,d208_2_21,h,3,0.021).
 4472atm(d208_2,d208_2_22,s,75,-0.179).
 4473atm(d208_2,d208_2_23,c,14,0.521).
 4474atm(d208_2,d208_2_24,n,36,-0.329).
 4475atm(d208_2,d208_2_25,c,10,-0.029).
 4476atm(d208_2,d208_2_26,c,10,-0.129).
 4477atm(d208_2,d208_2_27,h,3,0.021).
 4478atm(d208_2,d208_2_28,h,3,0.021).
 4479atm(d208_2,d208_2_29,h,3,0.021).
 4480atm(d208_2,d208_2_30,h,3,0.021).
 4481atm(d208_2,d208_2_31,h,3,0.021).
 4482atm(d208_2,d208_2_32,c,10,-0.029).
 4483atm(d208_2,d208_2_33,c,10,-0.129).
 4484atm(d208_2,d208_2_34,h,3,0.021).
 4485atm(d208_2,d208_2_35,h,3,0.021).
 4486atm(d208_2,d208_2_36,h,3,0.021).
 4487atm(d208_2,d208_2_37,h,3,0.021).
 4488atm(d208_2,d208_2_38,h,3,0.021).
 4489atm(d208_2,d208_2_39,c,14,0.52).
 4490atm(d208_2,d208_2_40,n,36,-0.329).
 4491atm(d208_2,d208_2_41,c,10,-0.029).
 4492atm(d208_2,d208_2_42,c,10,-0.129).
 4493atm(d208_2,d208_2_43,h,3,0.021).
 4494atm(d208_2,d208_2_44,h,3,0.021).
 4495atm(d208_2,d208_2_45,h,3,0.021).
 4496atm(d208_2,d208_2_46,h,3,0.021).
 4497atm(d208_2,d208_2_47,h,3,0.021).
 4498atm(d208_2,d208_2_48,c,10,-0.029).
 4499atm(d208_2,d208_2_49,c,10,-0.129).
 4500atm(d208_2,d208_2_50,h,3,0.021).
 4501atm(d208_2,d208_2_51,h,3,0.021).
 4502atm(d208_2,d208_2_52,h,3,