1:-use_module(library(pascal)).    2
    3:- if(current_predicate(use_rendering/1)).    4:- use_rendering(c3).    5:- use_rendering(pic).    6:- endif.    7
    8greaterAct(_,A,B):-
    9    activity(_,A),
   10    activity(_,B),
   11    A>=B.
   12
   13:-pascal.   14
   15:-set_pascal(examples,keys(active)).   16:-set_pascal(default_parameters,0).   17:-set_pascal(learning_algorithm,gradient_descent).   18:-set_pascal(learning_rate,fixed(0.5)).   19:-set_pascal(regularizing_constant,5).   20:-set_pascal(regularization,2).   21
   22:-set_pascal(gd_iter,1000).   23:-set_pascal(fixed_parameters,no).   24%:-set_pascal(fixed_parameters,[_3092,_3098,_3104,_3110,_3116,_3122,_3128,_3134,_3140,_3146]).
   25%:-set_pascal(fixed_parameters,[_3092,_3098,_3104,_3110,_3116,_3122]).
   26:-set_pascal(epsilon,0.0001).   27:-set_pascal(epsilon_fraction,0.0001).   28:-set_pascal(max_length,8).   29:-set_pascal(max_lengths,[1,1,1,1]).   30:-set_pascal(max_nodes,3). 
   31:-set_pascal(beamsize,2).   32:-set_pascal(max_rules,8).   33
   34:- begin_in.   35
   36%ic("
   37%    0.5 :: 	activity(A)
   38%/\\greaterAct(A,0.195)
   39%--->
   40%false.
   41%").
   42rule(([]:-[activity(_46), greaterAct(_46, 0.195)]), 0.5).
   43rule(([]:-[activity(_92), greaterAct(_92, 0.104)]), 0.5).
   44rule(([]:-[activity(_138), greaterAct(_138, 0.1)]), 0.5).
   45
   46:- end_in.   47
   48fold(train,[27,108,60,77,28,92,95,122,
   49    50,91,68,183,67,7,65,131,141,182,
   50    74,112,37,54,75,129,80,116,87,81,84,180]).
   51
   52
   53fold(test,[25,26,17,121,16,114,69,134,100,55]).
   54
   55
   56%modeb(1,greaterAct(+act,#act)).
   57%modeb(1,p1_flex(-flex)).
   58
   59modeb(*,activity(-#actf)).
   60
   61modeb(*,p1_polar(-#pol)).
   62modeb(*,p1_size(-#si)).
   63modeb(*,p1_flex(-#fl)).
   64modeb(*,p1_h_doner(-#h_d)).
   65modeb(*,p1_h_acceptor(-#h_a)).
   66modeb(*,p1_pi_doner(-#p_d)).
   67modeb(*,p1_pi_acceptor(-#p_a)).
   68modeb(*,p1_polarisable(-#polar)).
   69modeb(*,p1_sigma(-#s)).
   70modeb(*,p2_polar(-#pol)).
   71modeb(*,p2_size(-#si)).
   72modeb(*,p2_flex(-#fl)).
   73modeb(*,p2_h_doner(-#h_d)).
   74modeb(*,p2_h_acceptor(-#h_a)).
   75modeb(*,p2_pi_doner(-#p_d)).
   76modeb(*,p2_pi_acceptor(-#p_a)).
   77modeb(*,p2_polarisable(-#polar)).
   78modeb(*,p2_sigma(-#s)).
   79modeb(*,p3_polar(-#pol)).
   80modeb(*,p3_size(-#si)).
   81modeb(*,p3_flex(-#fl)).
   82modeb(*,p3_h_doner(-#h_d)).
   83modeb(*,p3_h_acceptor(-#h_a)).
   84modeb(*,p3_pi_doner(-#p_d)).
   85modeb(*,p3_pi_acceptor(-#p_a)).
   86modeb(*,p3_polarisable(-#polar)).
   87modeb(*,p3_sigma(-#s)).
   88modeb(*,p4_polar(-#pol)).
   89modeb(*,p4_size(-#si)).
   90modeb(*,p4_flex(-#fl)).
   91modeb(*,p4_h_doner(-#h_d)).
   92modeb(*,p4_h_acceptor(-#h_a)).
   93modeb(*,p4_pi_doner(-#p_d)).
   94modeb(*,p4_pi_acceptor(-#p_a)).
   95modeb(*,p4_polarisable(-#polar)).
   96modeb(*,p4_sigma(-#s)).
   97modeb(*,p5_polar(-#pol)).
   98modeb(*,p5_size(-#si)).
   99modeb(*,p5_flex(-#fl)).
  100modeb(*,p5_h_doner(-#h_d)).
  101modeb(*,p5_h_acceptor(-#h_a)).
  102modeb(*,p5_pi_doner(-#p_d)).
  103modeb(*,p5_pi_acceptor(-#p_a)).
  104modeb(*,p5_polarisable(-#polar)).
  105modeb(*,p5_sigma(-#s)).
  106modeb(*,p6_polar(-#pol)).
  107modeb(*,p6_size(-#si)).
  108modeb(*,p6_flex(-#fl)).
  109modeb(*,p6_h_doner(-#h_d)).
  110modeb(*,p6_h_acceptor(-#h_a)).
  111modeb(*,p6_pi_doner(-#p_d)).
  112modeb(*,p6_pi_acceptor(-#p_a)).
  113modeb(*,p6_polarisable(-#polar)).
  114modeb(*,p6_sigma(-#s)).
  115
  116modeh(*,activity(-#actf)).
  117
  118modeh(*,p1_polar(-#pol)).
  119modeh(*,p1_size(-#si)).
  120modeh(*,p1_flex(-#fl)).
  121modeh(*,p1_h_doner(-#h_d)).
  122modeh(*,p1_h_acceptor(-#h_a)).
  123modeh(*,p1_pi_doner(-#p_d)).
  124modeh(*,p1_pi_acceptor(-#p_a)).
  125modeh(*,p1_polarisable(-#polar)).
  126modeh(*,p1_sigma(-#s)).
  127modeh(*,p2_polar(-#pol)).
  128modeh(*,p2_size(-#si)).
  129modeh(*,p2_flex(-#fl)).
  130modeh(*,p2_h_doner(-#h_d)).
  131modeh(*,p2_h_acceptor(-#h_a)).
  132modeh(*,p2_pi_doner(-#p_d)).
  133modeh(*,p2_pi_acceptor(-#p_a)).
  134modeh(*,p2_polarisable(-#polar)).
  135modeh(*,p2_sigma(-#s)).
  136modeh(*,p3_polar(-#pol)).
  137modeh(*,p3_size(-#si)).
  138modeh(*,p3_flex(-#fl)).
  139modeh(*,p3_h_doner(-#h_d)).
  140modeh(*,p3_h_acceptor(-#h_a)).
  141modeh(*,p3_pi_doner(-#p_d)).
  142modeh(*,p3_pi_acceptor(-#p_a)).
  143modeh(*,p3_polarisable(-#polar)).
  144modeh(*,p3_sigma(-#s)).
  145modeh(*,p4_polar(-#pol)).
  146modeh(*,p4_size(-#si)).
  147modeh(*,p4_flex(-#fl)).
  148modeh(*,p4_h_doner(-#h_d)).
  149modeh(*,p4_h_acceptor(-#h_a)).
  150modeh(*,p4_pi_doner(-#p_d)).
  151modeh(*,p4_pi_acceptor(-#p_a)).
  152modeh(*,p4_polarisable(-#polar)).
  153modeh(*,p4_sigma(-#s)).
  154modeh(*,p5_polar(-#pol)).
  155modeh(*,p5_size(-#si)).
  156modeh(*,p5_flex(-#fl)).
  157modeh(*,p5_h_doner(-#h_d)).
  158modeh(*,p5_h_acceptor(-#h_a)).
  159modeh(*,p5_pi_doner(-#p_d)).
  160modeh(*,p5_pi_acceptor(-#p_a)).
  161modeh(*,p5_polarisable(-#polar)).
  162modeh(*,p5_sigma(-#s)).
  163modeh(*,p6_polar(-#pol)).
  164modeh(*,p6_size(-#si)).
  165modeh(*,p6_flex(-#fl)).
  166modeh(*,p6_h_doner(-#h_d)).
  167modeh(*,p6_h_acceptor(-#h_a)).
  168modeh(*,p6_pi_doner(-#p_d)).
  169modeh(*,p6_pi_acceptor(-#p_a)).
  170modeh(*,p6_polarisable(-#polar)).
  171modeh(*,p6_sigma(-#s)).
  172
  173
  174active(25,neg).
  175active(26,neg).
  176active(17,neg).
  177active(121,neg).
  178active(16,neg).
  179
  180active(27,neg).
  181active(108,neg).
  182active(60,neg).
  183active(77,neg).
  184active(28,neg).
  185active(92,neg).
  186active(95,neg).
  187active(122,neg).
  188active(50,neg).
  189active(91,neg).
  190active(68,neg).
  191active(183,neg).
  192active(67,neg).
  193active(7,neg).
  194active(65,neg).
  195
  196active(114,pos).
  197active(69,pos).
  198active(134,pos).
  199active(100,pos).
  200active(55,pos).
  201
  202active(131,pos).
  203active(141,pos).
  204active(182,pos).
  205active(74,pos).
  206active(112,pos).
  207active(37,pos).
  208active(54,pos).
  209active(75,pos).
  210active(129,pos).
  211active(80,pos).
  212active(116,pos).
  213active(87,pos).
  214active(81,pos).
  215active(84,pos).
  216active(180,pos).
  217
  218p1_flex(1,0.1).
  219p1_pi_doner(1,0.1).
  220p1_polar(1,0.1).
  221p1_h_doner(1,0.1).
  222p1_h_acceptor(1,0.1).
  223p1_size(1,0.1).
  224p1_pi_acceptor(1,0.1).
  225p1_branch(1,0.1).
  226p1_sigma(1,0.1).
  227p1_polarisable(1,0.1).
  228p1_flex(2,0.1).
  229p1_pi_doner(2,0.1).
  230p1_polar(2,0.1).
  231p1_h_doner(2,0.1).
  232p1_h_acceptor(2,0.1).
  233p1_size(2,0.1).
  234p1_pi_acceptor(2,0.1).
  235p1_branch(2,0.1).
  236p1_sigma(2,0.1).
  237p1_polarisable(2,0.1).
  238p1_flex(3,0.1).
  239p1_pi_doner(3,0.1).
  240p1_polar(3,0.1).
  241p1_h_doner(3,0.1).
  242p1_h_acceptor(3,0.1).
  243p1_size(3,0.1).
  244p1_pi_acceptor(3,0.1).
  245p1_branch(3,0.1).
  246p1_sigma(3,0.1).
  247p1_polarisable(3,0.1).
  248p1_flex(4,0.1).
  249p1_pi_doner(4,0.1).
  250p1_polar(4,0.1).
  251p1_h_doner(4,0.1).
  252p1_h_acceptor(4,0.1).
  253p1_size(4,0.1).
  254p1_pi_acceptor(4,0.1).
  255p1_branch(4,0.1).
  256p1_sigma(4,0.1).
  257p1_polarisable(4,0.1).
  258p1_flex(5,0.1).
  259p1_pi_doner(5,0.1).
  260p1_polar(5,0.1).
  261p1_h_doner(5,0.1).
  262p1_h_acceptor(5,0.1).
  263p1_size(5,0.1).
  264p1_pi_acceptor(5,0.1).
  265p1_branch(5,0.1).
  266p1_sigma(5,0.1).
  267p1_polarisable(5,0.1).
  268p1_flex(6,0.1).
  269p1_pi_doner(6,0.1).
  270p1_polar(6,0.1).
  271p1_h_doner(6,0.1).
  272p1_h_acceptor(6,0.1).
  273p1_size(6,0.1).
  274p1_pi_acceptor(6,0.1).
  275p1_branch(6,0.1).
  276p1_sigma(6,0.1).
  277p1_polarisable(6,0.1).
  278p1_flex(7,0.1).
  279p1_pi_doner(7,0.1).
  280p1_polar(7,0.1).
  281p1_h_doner(7,0.1).
  282p1_h_acceptor(7,0.1).
  283p1_size(7,0.1).
  284p1_pi_acceptor(7,0.1).
  285p1_branch(7,0.1).
  286p1_sigma(7,0.1).
  287p1_polarisable(7,0.1).
  288p1_flex(8,0.1).
  289p1_pi_doner(8,0.1).
  290p1_polar(8,0.1).
  291p1_h_doner(8,0.1).
  292p1_h_acceptor(8,0.1).
  293p1_size(8,0.1).
  294p1_pi_acceptor(8,0.1).
  295p1_branch(8,0.1).
  296p1_sigma(8,0.1).
  297p1_polarisable(8,0.1).
  298p1_flex(9,0.1).
  299p1_pi_doner(9,0.1).
  300p1_polar(9,0.1).
  301p1_h_doner(9,0.1).
  302p1_h_acceptor(9,0.1).
  303p1_size(9,0.1).
  304p1_pi_acceptor(9,0.1).
  305p1_branch(9,0.1).
  306p1_sigma(9,0.1).
  307p1_polarisable(9,0.1).
  308p1_flex(10,0.1).
  309p1_pi_doner(10,0.1).
  310p1_polar(10,0.1).
  311p1_h_doner(10,0.1).
  312p1_h_acceptor(10,0.1).
  313p1_size(10,0.1).
  314p1_pi_acceptor(10,0.1).
  315p1_branch(10,0.1).
  316p1_sigma(10,0.1).
  317p1_polarisable(10,0.1).
  318p1_flex(11,0.1).
  319p1_pi_doner(11,0.1).
  320p1_polar(11,0.1).
  321p1_h_doner(11,0.1).
  322p1_h_acceptor(11,0.1).
  323p1_size(11,0.1).
  324p1_pi_acceptor(11,0.1).
  325p1_branch(11,0.1).
  326p1_sigma(11,0.1).
  327p1_polarisable(11,0.1).
  328p1_flex(12,0.1).
  329p1_pi_doner(12,0.1).
  330p1_polar(12,0.1).
  331p1_h_doner(12,0.1).
  332p1_h_acceptor(12,0.1).
  333p1_size(12,0.1).
  334p1_pi_acceptor(12,0.1).
  335p1_branch(12,0.1).
  336p1_sigma(12,0.1).
  337p1_polarisable(12,0.1).
  338p1_flex(13,0.1).
  339p1_pi_doner(13,0.1).
  340p1_polar(13,0.1).
  341p1_h_doner(13,0.1).
  342p1_h_acceptor(13,0.1).
  343p1_size(13,0.1).
  344p1_pi_acceptor(13,0.1).
  345p1_branch(13,0.1).
  346p1_sigma(13,0.1).
  347p1_polarisable(13,0.1).
  348p1_flex(14,0.1).
  349p1_pi_doner(14,0.1).
  350p1_polar(14,0.1).
  351p1_h_doner(14,0.1).
  352p1_h_acceptor(14,0.1).
  353p1_size(14,0.1).
  354p1_pi_acceptor(14,0.1).
  355p1_branch(14,0.1).
  356p1_sigma(14,0.1).
  357p1_polarisable(14,0.1).
  358p1_flex(15,0.1).
  359p1_pi_doner(15,0.1).
  360p1_polar(15,0.1).
  361p1_h_doner(15,0.1).
  362p1_h_acceptor(15,0.1).
  363p1_size(15,0.1).
  364p1_pi_acceptor(15,0.1).
  365p1_branch(15,0.1).
  366p1_sigma(15,0.1).
  367p1_polarisable(15,0.1).
  368p1_flex(16,0.1).
  369p1_pi_doner(16,0.1).
  370p1_polar(16,0.1).
  371p1_h_doner(16,0.1).
  372p1_h_acceptor(16,0.1).
  373p1_size(16,0.1).
  374p1_pi_acceptor(16,0.1).
  375p1_branch(16,0.1).
  376p1_sigma(16,0.1).
  377p1_polarisable(16,0.1).
  378p1_flex(17,0.1).
  379p1_pi_doner(17,0.1).
  380p1_polar(17,0.26).
  381p1_h_doner(17,0.1).
  382p1_h_acceptor(17,0.1).
  383p1_size(17,0.1).
  384p1_pi_acceptor(17,0.1).
  385p1_branch(17,0.1).
  386p1_sigma(17,0.1).
  387p1_polarisable(17,0.1).
  388p1_flex(18,0.1).
  389p1_pi_doner(18,0.1).
  390p1_polar(18,0.26).
  391p1_h_doner(18,0.1).
  392p1_h_acceptor(18,0.1).
  393p1_size(18,0.1).
  394p1_pi_acceptor(18,0.1).
  395p1_branch(18,0.1).
  396p1_sigma(18,0.1).
  397p1_polarisable(18,0.1).
  398p1_flex(19,0.1).
  399p1_pi_doner(19,0.1).
  400p1_polar(19,0.26).
  401p1_h_doner(19,0.1).
  402p1_h_acceptor(19,0.1).
  403p1_size(19,0.1).
  404p1_pi_acceptor(19,0.1).
  405p1_branch(19,0.1).
  406p1_sigma(19,0.1).
  407p1_polarisable(19,0.1).
  408p1_flex(20,0.1).
  409p1_pi_doner(20,0.1).
  410p1_polar(20,0.26).
  411p1_h_doner(20,0.1).
  412p1_h_acceptor(20,0.1).
  413p1_size(20,0.1).
  414p1_pi_acceptor(20,0.1).
  415p1_branch(20,0.1).
  416p1_sigma(20,0.1).
  417p1_polarisable(20,0.1).
  418p1_flex(21,0.1).
  419p1_pi_doner(21,0.1).
  420p1_polar(21,0.26).
  421p1_h_doner(21,0.1).
  422p1_h_acceptor(21,0.1).
  423p1_size(21,0.1).
  424p1_pi_acceptor(21,0.1).
  425p1_branch(21,0.1).
  426p1_sigma(21,0.1).
  427p1_polarisable(21,0.1).
  428p1_flex(22,0.1).
  429p1_pi_doner(22,0.1).
  430p1_polar(22,0.26).
  431p1_h_doner(22,0.1).
  432p1_h_acceptor(22,0.1).
  433p1_size(22,0.1).
  434p1_pi_acceptor(22,0.1).
  435p1_branch(22,0.1).
  436p1_sigma(22,0.1).
  437p1_polarisable(22,0.1).
  438p1_flex(23,0.1).
  439p1_pi_doner(23,0.1).
  440p1_polar(23,0.26).
  441p1_h_doner(23,0.1).
  442p1_h_acceptor(23,0.1).
  443p1_size(23,0.1).
  444p1_pi_acceptor(23,0.1).
  445p1_branch(23,0.1).
  446p1_sigma(23,0.1).
  447p1_polarisable(23,0.1).
  448p1_flex(24,0.1).
  449p1_pi_doner(24,0.1).
  450p1_polar(24,0.26).
  451p1_h_doner(24,0.1).
  452p1_h_acceptor(24,0.1).
  453p1_size(24,0.1).
  454p1_pi_acceptor(24,0.1).
  455p1_branch(24,0.1).
  456p1_sigma(24,0.1).
  457p1_polarisable(24,0.1).
  458p1_flex(25,0.1).
  459p1_pi_doner(25,0.1).
  460p1_polar(25,0.26).
  461p1_h_doner(25,0.1).
  462p1_h_acceptor(25,0.1).
  463p1_size(25,0.1).
  464p1_pi_acceptor(25,0.1).
  465p1_branch(25,0.1).
  466p1_sigma(25,0.1).
  467p1_polarisable(25,0.1).
  468p1_flex(26,0.1).
  469p1_pi_doner(26,0.1).
  470p1_polar(26,0.26).
  471p1_h_doner(26,0.1).
  472p1_h_acceptor(26,0.1).
  473p1_size(26,0.1).
  474p1_pi_acceptor(26,0.1).
  475p1_branch(26,0.1).
  476p1_sigma(26,0.1).
  477p1_polarisable(26,0.1).
  478p1_flex(27,0.1).
  479p1_pi_doner(27,0.1).
  480p1_polar(27,0.26).
  481p1_h_doner(27,0.1).
  482p1_h_acceptor(27,0.1).
  483p1_size(27,0.1).
  484p1_pi_acceptor(27,0.1).
  485p1_branch(27,0.1).
  486p1_sigma(27,0.1).
  487p1_polarisable(27,0.1).
  488p1_flex(28,0.1).
  489p1_pi_doner(28,0.1).
  490p1_polar(28,0.26).
  491p1_h_doner(28,0.1).
  492p1_h_acceptor(28,0.1).
  493p1_size(28,0.1).
  494p1_pi_acceptor(28,0.1).
  495p1_branch(28,0.1).
  496p1_sigma(28,0.1).
  497p1_polarisable(28,0.1).
  498p1_flex(29,0.1).
  499p1_pi_doner(29,0.1).
  500p1_polar(29,0.26).
  501p1_h_doner(29,0.1).
  502p1_h_acceptor(29,0.1).
  503p1_size(29,0.1).
  504p1_pi_acceptor(29,0.1).
  505p1_branch(29,0.1).
  506p1_sigma(29,0.1).
  507p1_polarisable(29,0.1).
  508p1_flex(30,0.1).
  509p1_pi_doner(30,0.1).
  510p1_polar(30,0.26).
  511p1_h_doner(30,0.1).
  512p1_h_acceptor(30,0.1).
  513p1_size(30,0.1).
  514p1_pi_acceptor(30,0.1).
  515p1_branch(30,0.1).
  516p1_sigma(30,0.1).
  517p1_polarisable(30,0.1).
  518p1_flex(31,0.1).
  519p1_pi_doner(31,0.1).
  520p1_polar(31,0.26).
  521p1_h_doner(31,0.1).
  522p1_h_acceptor(31,0.1).
  523p1_size(31,0.1).
  524p1_pi_acceptor(31,0.1).
  525p1_branch(31,0.1).
  526p1_sigma(31,0.1).
  527p1_polarisable(31,0.1).
  528p1_flex(32,0.1).
  529p1_pi_doner(32,0.1).
  530p1_polar(32,0.26).
  531p1_h_doner(32,0.1).
  532p1_h_acceptor(32,0.1).
  533p1_size(32,0.1).
  534p1_pi_acceptor(32,0.1).
  535p1_branch(32,0.1).
  536p1_sigma(32,0.1).
  537p1_polarisable(32,0.1).
  538p1_flex(33,0.1).
  539p1_pi_doner(33,0.1).
  540p1_polar(33,0.26).
  541p1_h_doner(33,0.1).
  542p1_h_acceptor(33,0.1).
  543p1_size(33,0.1).
  544p1_pi_acceptor(33,0.1).
  545p1_branch(33,0.1).
  546p1_sigma(33,0.1).
  547p1_polarisable(33,0.1).
  548p1_flex(34,0.1).
  549p1_pi_doner(34,0.1).
  550p1_polar(34,0.26).
  551p1_h_doner(34,0.1).
  552p1_h_acceptor(34,0.1).
  553p1_size(34,0.1).
  554p1_pi_acceptor(34,0.1).
  555p1_branch(34,0.1).
  556p1_sigma(34,0.1).
  557p1_polarisable(34,0.1).
  558p1_flex(35,0.1).
  559p1_pi_doner(35,0.1).
  560p1_polar(35,0.26).
  561p1_h_doner(35,0.1).
  562p1_h_acceptor(35,0.1).
  563p1_size(35,0.1).
  564p1_pi_acceptor(35,0.1).
  565p1_branch(35,0.1).
  566p1_sigma(35,0.1).
  567p1_polarisable(35,0.1).
  568p1_flex(36,0.1).
  569p1_pi_doner(36,0.1).
  570p1_polar(36,0.26).
  571p1_h_doner(36,0.1).
  572p1_h_acceptor(36,0.1).
  573p1_size(36,0.1).
  574p1_pi_acceptor(36,0.1).
  575p1_branch(36,0.1).
  576p1_sigma(36,0.1).
  577p1_polarisable(36,0.1).
  578p1_flex(37,0.1).
  579p1_pi_doner(37,0.1).
  580p1_polar(37,0.26).
  581p1_h_doner(37,0.1).
  582p1_h_acceptor(37,0.1).
  583p1_size(37,0.1).
  584p1_pi_acceptor(37,0.1).
  585p1_branch(37,0.1).
  586p1_sigma(37,0.1).
  587p1_polarisable(37,0.1).
  588p1_flex(38,0.1).
  589p1_pi_doner(38,0.1).
  590p1_polar(38,0.26).
  591p1_h_doner(38,0.1).
  592p1_h_acceptor(38,0.1).
  593p1_size(38,0.1).
  594p1_pi_acceptor(38,0.1).
  595p1_branch(38,0.1).
  596p1_sigma(38,0.1).
  597p1_polarisable(38,0.1).
  598p1_flex(39,0.1).
  599p1_pi_doner(39,0.1).
  600p1_polar(39,0.26).
  601p1_h_doner(39,0.1).
  602p1_h_acceptor(39,0.1).
  603p1_size(39,0.1).
  604p1_pi_acceptor(39,0.1).
  605p1_branch(39,0.1).
  606p1_sigma(39,0.1).
  607p1_polarisable(39,0.1).
  608p1_flex(40,0.1).
  609p1_pi_doner(40,0.1).
  610p1_polar(40,0.26).
  611p1_h_doner(40,0.1).
  612p1_h_acceptor(40,0.1).
  613p1_size(40,0.1).
  614p1_pi_acceptor(40,0.1).
  615p1_branch(40,0.1).
  616p1_sigma(40,0.1).
  617p1_polarisable(40,0.1).
  618p1_flex(41,0.1).
  619p1_pi_doner(41,0.1).
  620p1_polar(41,0.26).
  621p1_h_doner(41,0.1).
  622p1_h_acceptor(41,0.1).
  623p1_size(41,0.1).
  624p1_pi_acceptor(41,0.1).
  625p1_branch(41,0.1).
  626p1_sigma(41,0.1).
  627p1_polarisable(41,0.1).
  628p1_flex(42,0.1).
  629p1_pi_doner(42,0.1).
  630p1_polar(42,0.26).
  631p1_h_doner(42,0.1).
  632p1_h_acceptor(42,0.1).
  633p1_size(42,0.1).
  634p1_pi_acceptor(42,0.1).
  635p1_branch(42,0.1).
  636p1_sigma(42,0.1).
  637p1_polarisable(42,0.1).
  638p1_flex(43,0.1).
  639p1_pi_doner(43,0.1).
  640p1_polar(43,0.26).
  641p1_h_doner(43,0.1).
  642p1_h_acceptor(43,0.1).
  643p1_size(43,0.1).
  644p1_pi_acceptor(43,0.1).
  645p1_branch(43,0.1).
  646p1_sigma(43,0.1).
  647p1_polarisable(43,0.1).
  648p1_flex(44,0.1).
  649p1_pi_doner(44,0.1).
  650p1_polar(44,0.26).
  651p1_h_doner(44,0.1).
  652p1_h_acceptor(44,0.1).
  653p1_size(44,0.1).
  654p1_pi_acceptor(44,0.1).
  655p1_branch(44,0.1).
  656p1_sigma(44,0.1).
  657p1_polarisable(44,0.1).
  658p1_flex(45,0.1).
  659p1_pi_doner(45,0.1).
  660p1_polar(45,0.26).
  661p1_h_doner(45,0.1).
  662p1_h_acceptor(45,0.1).
  663p1_size(45,0.1).
  664p1_pi_acceptor(45,0.1).
  665p1_branch(45,0.1).
  666p1_sigma(45,0.1).
  667p1_polarisable(45,0.1).
  668p1_flex(46,0.1).
  669p1_pi_doner(46,0.1).
  670p1_polar(46,0.26).
  671p1_h_doner(46,0.1).
  672p1_h_acceptor(46,0.1).
  673p1_size(46,0.1).
  674p1_pi_acceptor(46,0.1).
  675p1_branch(46,0.1).
  676p1_sigma(46,0.1).
  677p1_polarisable(46,0.1).
  678p1_flex(47,0.1).
  679p1_pi_doner(47,0.1).
  680p1_polar(47,0.26).
  681p1_h_doner(47,0.1).
  682p1_h_acceptor(47,0.1).
  683p1_size(47,0.1).
  684p1_pi_acceptor(47,0.1).
  685p1_branch(47,0.1).
  686p1_sigma(47,0.1).
  687p1_polarisable(47,0.1).
  688p1_flex(48,0.1).
  689p1_pi_doner(48,0.1).
  690p1_polar(48,0.26).
  691p1_h_doner(48,0.1).
  692p1_h_acceptor(48,0.1).
  693p1_size(48,0.1).
  694p1_pi_acceptor(48,0.1).
  695p1_branch(48,0.1).
  696p1_sigma(48,0.1).
  697p1_polarisable(48,0.1).
  698p1_flex(49,0.1).
  699p1_pi_doner(49,0.1).
  700p1_polar(49,0.26).
  701p1_h_doner(49,0.1).
  702p1_h_acceptor(49,0.1).
  703p1_size(49,0.1).
  704p1_pi_acceptor(49,0.1).
  705p1_branch(49,0.1).
  706p1_sigma(49,0.1).
  707p1_polarisable(49,0.1).
  708p1_flex(50,0.1).
  709p1_pi_doner(50,0.1).
  710p1_polar(50,0.26).
  711p1_h_doner(50,0.1).
  712p1_h_acceptor(50,0.1).
  713p1_size(50,0.1).
  714p1_pi_acceptor(50,0.1).
  715p1_branch(50,0.1).
  716p1_sigma(50,0.1).
  717p1_polarisable(50,0.1).
  718p1_flex(51,0.1).
  719p1_pi_doner(51,0.1).
  720p1_polar(51,0.26).
  721p1_h_doner(51,0.1).
  722p1_h_acceptor(51,0.1).
  723p1_size(51,0.1).
  724p1_pi_acceptor(51,0.1).
  725p1_branch(51,0.1).
  726p1_sigma(51,0.1).
  727p1_polarisable(51,0.1).
  728p1_flex(52,0.1).
  729p1_pi_doner(52,0.1).
  730p1_polar(52,0.26).
  731p1_h_doner(52,0.1).
  732p1_h_acceptor(52,0.1).
  733p1_size(52,0.1).
  734p1_pi_acceptor(52,0.1).
  735p1_branch(52,0.1).
  736p1_sigma(52,0.1).
  737p1_polarisable(52,0.1).
  738p1_flex(53,0.1).
  739p1_pi_doner(53,0.1).
  740p1_polar(53,0.26).
  741p1_h_doner(53,0.1).
  742p1_h_acceptor(53,0.1).
  743p1_size(53,0.1).
  744p1_pi_acceptor(53,0.1).
  745p1_branch(53,0.1).
  746p1_sigma(53,0.1).
  747p1_polarisable(53,0.1).
  748p1_flex(54,0.1).
  749p1_pi_doner(54,0.1).
  750p1_polar(54,0.26).
  751p1_h_doner(54,0.1).
  752p1_h_acceptor(54,0.1).
  753p1_size(54,0.1).
  754p1_pi_acceptor(54,0.1).
  755p1_branch(54,0.1).
  756p1_sigma(54,0.1).
  757p1_polarisable(54,0.1).
  758p1_flex(55,0.1).
  759p1_pi_doner(55,0.1).
  760p1_polar(55,0.26).
  761p1_h_doner(55,0.1).
  762p1_h_acceptor(55,0.1).
  763p1_size(55,0.1).
  764p1_pi_acceptor(55,0.1).
  765p1_branch(55,0.1).
  766p1_sigma(55,0.1).
  767p1_polarisable(55,0.1).
  768p1_flex(56,0.1).
  769p1_pi_doner(56,0.1).
  770p1_polar(56,0.26).
  771p1_h_doner(56,0.1).
  772p1_h_acceptor(56,0.1).
  773p1_size(56,0.1).
  774p1_pi_acceptor(56,0.1).
  775p1_branch(56,0.1).
  776p1_sigma(56,0.1).
  777p1_polarisable(56,0.1).
  778p1_flex(57,0.1).
  779p1_pi_doner(57,0.1).
  780p1_polar(57,0.26).
  781p1_h_doner(57,0.1).
  782p1_h_acceptor(57,0.1).
  783p1_size(57,0.1).
  784p1_pi_acceptor(57,0.1).
  785p1_branch(57,0.1).
  786p1_sigma(57,0.1).
  787p1_polarisable(57,0.1).
  788p1_flex(58,0.1).
  789p1_pi_doner(58,0.1).
  790p1_polar(58,0.26).
  791p1_h_doner(58,0.1).
  792p1_h_acceptor(58,0.1).
  793p1_size(58,0.1).
  794p1_pi_acceptor(58,0.1).
  795p1_branch(58,0.1).
  796p1_sigma(58,0.1).
  797p1_polarisable(58,0.1).
  798p1_flex(59,0.1).
  799p1_pi_doner(59,0.1).
  800p1_polar(59,0.26).
  801p1_h_doner(59,0.1).
  802p1_h_acceptor(59,0.1).
  803p1_size(59,0.1).
  804p1_pi_acceptor(59,0.1).
  805p1_branch(59,0.1).
  806p1_sigma(59,0.1).
  807p1_polarisable(59,0.1).
  808p1_flex(60,0.1).
  809p1_pi_doner(60,0.1).
  810p1_polar(60,0.26).
  811p1_h_doner(60,0.1).
  812p1_h_acceptor(60,0.1).
  813p1_size(60,0.1).
  814p1_pi_acceptor(60,0.1).
  815p1_branch(60,0.1).
  816p1_sigma(60,0.1).
  817p1_polarisable(60,0.1).
  818p1_flex(61,0.1).
  819p1_pi_doner(61,0.1).
  820p1_polar(61,0.26).
  821p1_h_doner(61,0.1).
  822p1_h_acceptor(61,0.1).
  823p1_size(61,0.1).
  824p1_pi_acceptor(61,0.1).
  825p1_branch(61,0.1).
  826p1_sigma(61,0.1).
  827p1_polarisable(61,0.1).
  828p1_flex(62,0.1).
  829p1_pi_doner(62,0.1).
  830p1_polar(62,0.26).
  831p1_h_doner(62,0.1).
  832p1_h_acceptor(62,0.1).
  833p1_size(62,0.1).
  834p1_pi_acceptor(62,0.1).
  835p1_branch(62,0.1).
  836p1_sigma(62,0.1).
  837p1_polarisable(62,0.1).
  838p1_flex(63,0.1).
  839p1_pi_doner(63,0.1).
  840p1_polar(63,0.26).
  841p1_h_doner(63,0.1).
  842p1_h_acceptor(63,0.1).
  843p1_size(63,0.1).
  844p1_pi_acceptor(63,0.1).
  845p1_branch(63,0.1).
  846p1_sigma(63,0.1).
  847p1_polarisable(63,0.1).
  848p1_flex(64,0.1).
  849p1_pi_doner(64,0.1).
  850p1_polar(64,0.26).
  851p1_h_doner(64,0.1).
  852p1_h_acceptor(64,0.1).
  853p1_size(64,0.1).
  854p1_pi_acceptor(64,0.1).
  855p1_branch(64,0.1).
  856p1_sigma(64,0.1).
  857p1_polarisable(64,0.1).
  858p1_flex(65,0.1).
  859p1_pi_doner(65,0.1).
  860p1_polar(65,0.26).
  861p1_h_doner(65,0.1).
  862p1_h_acceptor(65,0.1).
  863p1_size(65,0.1).
  864p1_pi_acceptor(65,0.1).
  865p1_branch(65,0.1).
  866p1_sigma(65,0.1).
  867p1_polarisable(65,0.1).
  868p1_flex(66,0.1).
  869p1_pi_doner(66,0.1).
  870p1_polar(66,0.26).
  871p1_h_doner(66,0.1).
  872p1_h_acceptor(66,0.1).
  873p1_size(66,0.1).
  874p1_pi_acceptor(66,0.1).
  875p1_branch(66,0.1).
  876p1_sigma(66,0.1).
  877p1_polarisable(66,0.1).
  878p1_flex(67,0.1).
  879p1_pi_doner(67,0.1).
  880p1_polar(67,0.26).
  881p1_h_doner(67,0.1).
  882p1_h_acceptor(67,0.1).
  883p1_size(67,0.1).
  884p1_pi_acceptor(67,0.1).
  885p1_branch(67,0.1).
  886p1_sigma(67,0.1).
  887p1_polarisable(67,0.1).
  888p1_flex(68,0.1).
  889p1_pi_doner(68,0.1).
  890p1_polar(68,0.26).
  891p1_h_doner(68,0.1).
  892p1_h_acceptor(68,0.1).
  893p1_size(68,0.1).
  894p1_pi_acceptor(68,0.1).
  895p1_branch(68,0.1).
  896p1_sigma(68,0.1).
  897p1_polarisable(68,0.1).
  898p1_flex(69,0.1).
  899p1_pi_doner(69,0.1).
  900p1_polar(69,0.26).
  901p1_h_doner(69,0.1).
  902p1_h_acceptor(69,0.1).
  903p1_size(69,0.1).
  904p1_pi_acceptor(69,0.1).
  905p1_branch(69,0.1).
  906p1_sigma(69,0.1).
  907p1_polarisable(69,0.1).
  908p1_flex(70,0.1).
  909p1_pi_doner(70,0.1).
  910p1_polar(70,0.26).
  911p1_h_doner(70,0.1).
  912p1_h_acceptor(70,0.1).
  913p1_size(70,0.1).
  914p1_pi_acceptor(70,0.1).
  915p1_branch(70,0.1).
  916p1_sigma(70,0.1).
  917p1_polarisable(70,0.1).
  918p1_flex(71,0.1).
  919p1_pi_doner(71,0.1).
  920p1_polar(71,0.26).
  921p1_h_doner(71,0.1).
  922p1_h_acceptor(71,0.1).
  923p1_size(71,0.1).
  924p1_pi_acceptor(71,0.1).
  925p1_branch(71,0.1).
  926p1_sigma(71,0.1).
  927p1_polarisable(71,0.1).
  928p1_flex(72,0.1).
  929p1_pi_doner(72,0.1).
  930p1_polar(72,0.26).
  931p1_h_doner(72,0.1).
  932p1_h_acceptor(72,0.1).
  933p1_size(72,0.1).
  934p1_pi_acceptor(72,0.1).
  935p1_branch(72,0.1).
  936p1_sigma(72,0.1).
  937p1_polarisable(72,0.1).
  938p1_flex(73,0.1).
  939p1_pi_doner(73,0.1).
  940p1_polar(73,0.26).
  941p1_h_doner(73,0.1).
  942p1_h_acceptor(73,0.1).
  943p1_size(73,0.233).
  944p1_pi_acceptor(73,0.1).
  945p1_branch(73,0.1).
  946p1_sigma(73,0.1).
  947p1_polarisable(73,0.5).
  948p1_flex(74,0.367).
  949p1_pi_doner(74,0.1).
  950p1_polar(74,0.26).
  951p1_h_doner(74,0.1).
  952p1_h_acceptor(74,0.1).
  953p1_size(74,0.367).
  954p1_pi_acceptor(74,0.1).
  955p1_branch(74,0.1).
  956p1_sigma(74,0.1).
  957p1_polarisable(74,0.5).
  958p1_flex(75,0.367).
  959p1_pi_doner(75,0.1).
  960p1_polar(75,0.26).
  961p1_h_doner(75,0.1).
  962p1_h_acceptor(75,0.1).
  963p1_size(75,0.367).
  964p1_pi_acceptor(75,0.1).
  965p1_branch(75,0.1).
  966p1_sigma(75,0.1).
  967p1_polarisable(75,0.5).
  968p1_flex(76,0.367).
  969p1_pi_doner(76,0.1).
  970p1_polar(76,0.26).
  971p1_h_doner(76,0.1).
  972p1_h_acceptor(76,0.1).
  973p1_size(76,0.367).
  974p1_pi_acceptor(76,0.1).
  975p1_branch(76,0.1).
  976p1_sigma(76,0.1).
  977p1_polarisable(76,0.5).
  978p1_flex(77,0.367).
  979p1_pi_doner(77,0.1).
  980p1_polar(77,0.26).
  981p1_h_doner(77,0.1).
  982p1_h_acceptor(77,0.1).
  983p1_size(77,0.367).
  984p1_pi_acceptor(77,0.1).
  985p1_branch(77,0.1).
  986p1_sigma(77,0.1).
  987p1_polarisable(77,0.5).
  988p1_flex(78,0.5).
  989p1_pi_doner(78,0.1).
  990p1_polar(78,0.26).
  991p1_h_doner(78,0.1).
  992p1_h_acceptor(78,0.367).
  993p1_size(78,0.5).
  994p1_pi_acceptor(78,0.1).
  995p1_branch(78,0.5).
  996p1_sigma(78,0.1).
  997p1_polarisable(78,0.5).
  998p1_flex(79,0.367).
  999p1_pi_doner(79,0.1).
 1000p1_polar(79,0.26).
 1001p1_h_doner(79,0.1).
 1002p1_h_acceptor(79,0.367).
 1003p1_size(79,0.633).
 1004p1_pi_acceptor(79,0.1).
 1005p1_branch(79,0.9).
 1006p1_sigma(79,0.1).
 1007p1_polarisable(79,0.5).
 1008p1_flex(80,0.633).
 1009p1_pi_doner(80,0.1).
 1010p1_polar(80,0.26).
 1011p1_h_doner(80,0.1).
 1012p1_h_acceptor(80,0.1).
 1013p1_size(80,0.633).
 1014p1_pi_acceptor(80,0.1).
 1015p1_branch(80,0.1).
 1016p1_sigma(80,0.1).
 1017p1_polarisable(80,0.5).
 1018p1_flex(81,0.633).
 1019p1_pi_doner(81,0.1).
 1020p1_polar(81,0.26).
 1021p1_h_doner(81,0.1).
 1022p1_h_acceptor(81,0.1).
 1023p1_size(81,0.633).
 1024p1_pi_acceptor(81,0.1).
 1025p1_branch(81,0.1).
 1026p1_sigma(81,0.1).
 1027p1_polarisable(81,0.5).
 1028p1_flex(82,0.633).
 1029p1_pi_doner(82,0.1).
 1030p1_polar(82,0.26).
 1031p1_h_doner(82,0.1).
 1032p1_h_acceptor(82,0.1).
 1033p1_size(82,0.633).
 1034p1_pi_acceptor(82,0.1).
 1035p1_branch(82,0.1).
 1036p1_sigma(82,0.1).
 1037p1_polarisable(82,0.5).
 1038p1_flex(83,0.633).
 1039p1_pi_doner(83,0.1).
 1040p1_polar(83,0.26).
 1041p1_h_doner(83,0.1).
 1042p1_h_acceptor(83,0.1).
 1043p1_size(83,0.633).
 1044p1_pi_acceptor(83,0.1).
 1045p1_branch(83,0.1).
 1046p1_sigma(83,0.1).
 1047p1_polarisable(83,0.5).
 1048p1_flex(84,0.633).
 1049p1_pi_doner(84,0.1).
 1050p1_polar(84,0.26).
 1051p1_h_doner(84,0.1).
 1052p1_h_acceptor(84,0.1).
 1053p1_size(84,0.633).
 1054p1_pi_acceptor(84,0.1).
 1055p1_branch(84,0.1).
 1056p1_sigma(84,0.1).
 1057p1_polarisable(84,0.5).
 1058p1_flex(85,0.633).
 1059p1_pi_doner(85,0.1).
 1060p1_polar(85,0.26).
 1061p1_h_doner(85,0.1).
 1062p1_h_acceptor(85,0.1).
 1063p1_size(85,0.633).
 1064p1_pi_acceptor(85,0.1).
 1065p1_branch(85,0.1).
 1066p1_sigma(85,0.1).
 1067p1_polarisable(85,0.5).
 1068p1_flex(86,0.633).
 1069p1_pi_doner(86,0.1).
 1070p1_polar(86,0.26).
 1071p1_h_doner(86,0.1).
 1072p1_h_acceptor(86,0.1).
 1073p1_size(86,0.633).
 1074p1_pi_acceptor(86,0.1).
 1075p1_branch(86,0.1).
 1076p1_sigma(86,0.1).
 1077p1_polarisable(86,0.5).
 1078p1_flex(87,0.633).
 1079p1_pi_doner(87,0.1).
 1080p1_polar(87,0.26).
 1081p1_h_doner(87,0.1).
 1082p1_h_acceptor(87,0.1).
 1083p1_size(87,0.633).
 1084p1_pi_acceptor(87,0.1).
 1085p1_branch(87,0.1).
 1086p1_sigma(87,0.1).
 1087p1_polarisable(87,0.5).
 1088p1_flex(88,0.767).
 1089p1_pi_doner(88,0.1).
 1090p1_polar(88,0.26).
 1091p1_h_doner(88,0.1).
 1092p1_h_acceptor(88,0.367).
 1093p1_size(88,0.767).
 1094p1_pi_acceptor(88,0.1).
 1095p1_branch(88,0.5).
 1096p1_sigma(88,0.1).
 1097p1_polarisable(88,0.5).
 1098p1_flex(89,0.9).
 1099p1_pi_doner(89,0.1).
 1100p1_polar(89,0.26).
 1101p1_h_doner(89,0.1).
 1102p1_h_acceptor(89,0.367).
 1103p1_size(89,0.9).
 1104p1_pi_acceptor(89,0.1).
 1105p1_branch(89,0.1).
 1106p1_sigma(89,0.1).
 1107p1_polarisable(89,0.5).
 1108p1_flex(90,0.1).
 1109p1_pi_doner(90,0.1).
 1110p1_polar(90,0.42).
 1111p1_h_doner(90,0.1).
 1112p1_h_acceptor(90,0.367).
 1113p1_size(90,0.233).
 1114p1_pi_acceptor(90,0.1).
 1115p1_branch(90,0.1).
 1116p1_sigma(90,0.367).
 1117p1_polarisable(90,0.9).
 1118p1_flex(91,0.1).
 1119p1_pi_doner(91,0.1).
 1120p1_polar(91,0.42).
 1121p1_h_doner(91,0.1).
 1122p1_h_acceptor(91,0.367).
 1123p1_size(91,0.367).
 1124p1_pi_acceptor(91,0.1).
 1125p1_branch(91,0.1).
 1126p1_sigma(91,0.367).
 1127p1_polarisable(91,0.5).
 1128p1_flex(92,0.1).
 1129p1_pi_doner(92,0.5).
 1130p1_polar(92,0.42).
 1131p1_h_doner(92,0.5).
 1132p1_h_acceptor(92,0.367).
 1133p1_size(92,0.367).
 1134p1_pi_acceptor(92,0.1).
 1135p1_branch(92,0.9).
 1136p1_sigma(92,0.367).
 1137p1_polarisable(92,0.5).
 1138p1_flex(93,0.1).
 1139p1_pi_doner(93,0.5).
 1140p1_polar(93,0.42).
 1141p1_h_doner(93,0.5).
 1142p1_h_acceptor(93,0.367).
 1143p1_size(93,0.367).
 1144p1_pi_acceptor(93,0.1).
 1145p1_branch(93,0.9).
 1146p1_sigma(93,0.367).
 1147p1_polarisable(93,0.5).
 1148p1_flex(94,0.367).
 1149p1_pi_doner(94,0.1).
 1150p1_polar(94,0.42).
 1151p1_h_doner(94,0.1).
 1152p1_h_acceptor(94,0.367).
 1153p1_size(94,0.367).
 1154p1_pi_acceptor(94,0.1).
 1155p1_branch(94,0.1).
 1156p1_sigma(94,0.1).
 1157p1_polarisable(94,0.5).
 1158p1_flex(95,0.233).
 1159p1_pi_doner(95,0.5).
 1160p1_polar(95,0.42).
 1161p1_h_doner(95,0.5).
 1162p1_h_acceptor(95,0.367).
 1163p1_size(95,0.5).
 1164p1_pi_acceptor(95,0.1).
 1165p1_branch(95,0.5).
 1166p1_sigma(95,0.367).
 1167p1_polarisable(95,0.5).
 1168p1_flex(96,0.233).
 1169p1_pi_doner(96,0.5).
 1170p1_polar(96,0.42).
 1171p1_h_doner(96,0.5).
 1172p1_h_acceptor(96,0.367).
 1173p1_size(96,0.5).
 1174p1_pi_acceptor(96,0.1).
 1175p1_branch(96,0.5).
 1176p1_sigma(96,0.367).
 1177p1_polarisable(96,0.5).
 1178p1_flex(97,0.367).
 1179p1_pi_doner(97,0.5).
 1180p1_polar(97,0.42).
 1181p1_h_doner(97,0.5).
 1182p1_h_acceptor(97,0.367).
 1183p1_size(97,0.5).
 1184p1_pi_acceptor(97,0.1).
 1185p1_branch(97,0.5).
 1186p1_sigma(97,0.367).
 1187p1_polarisable(97,0.5).
 1188p1_flex(98,0.367).
 1189p1_pi_doner(98,0.5).
 1190p1_polar(98,0.42).
 1191p1_h_doner(98,0.5).
 1192p1_h_acceptor(98,0.633).
 1193p1_size(98,0.5).
 1194p1_pi_acceptor(98,0.1).
 1195p1_branch(98,0.5).
 1196p1_sigma(98,0.367).
 1197p1_polarisable(98,0.5).
 1198p1_flex(99,0.367).
 1199p1_pi_doner(99,0.5).
 1200p1_polar(99,0.42).
 1201p1_h_doner(99,0.5).
 1202p1_h_acceptor(99,0.633).
 1203p1_size(99,0.5).
 1204p1_pi_acceptor(99,0.1).
 1205p1_branch(99,0.5).
 1206p1_sigma(99,0.367).
 1207p1_polarisable(99,0.5).
 1208p1_flex(100,0.5).
 1209p1_pi_doner(100,0.1).
 1210p1_polar(100,0.42).
 1211p1_h_doner(100,0.1).
 1212p1_h_acceptor(100,0.633).
 1213p1_size(100,0.5).
 1214p1_pi_acceptor(100,0.1).
 1215p1_branch(100,0.1).
 1216p1_sigma(100,0.367).
 1217p1_polarisable(100,0.5).
 1218p1_flex(101,0.5).
 1219p1_pi_doner(101,0.1).
 1220p1_polar(101,0.42).
 1221p1_h_doner(101,0.1).
 1222p1_h_acceptor(101,0.633).
 1223p1_size(101,0.5).
 1224p1_pi_acceptor(101,0.1).
 1225p1_branch(101,0.1).
 1226p1_sigma(101,0.367).
 1227p1_polarisable(101,0.5).
 1228p1_flex(102,0.5).
 1229p1_pi_doner(102,0.1).
 1230p1_polar(102,0.42).
 1231p1_h_doner(102,0.1).
 1232p1_h_acceptor(102,0.633).
 1233p1_size(102,0.5).
 1234p1_pi_acceptor(102,0.1).
 1235p1_branch(102,0.1).
 1236p1_sigma(102,0.367).
 1237p1_polarisable(102,0.5).
 1238p1_flex(103,0.5).
 1239p1_pi_doner(103,0.1).
 1240p1_polar(103,0.42).
 1241p1_h_doner(103,0.1).
 1242p1_h_acceptor(103,0.633).
 1243p1_size(103,0.5).
 1244p1_pi_acceptor(103,0.1).
 1245p1_branch(103,0.1).
 1246p1_sigma(103,0.367).
 1247p1_polarisable(103,0.5).
 1248p1_flex(104,0.633).
 1249p1_pi_doner(104,0.1).
 1250p1_polar(104,0.42).
 1251p1_h_doner(104,0.1).
 1252p1_h_acceptor(104,0.633).
 1253p1_size(104,0.5).
 1254p1_pi_acceptor(104,0.1).
 1255p1_branch(104,0.1).
 1256p1_sigma(104,0.367).
 1257p1_polarisable(104,0.5).
 1258p1_flex(105,0.633).
 1259p1_pi_doner(105,0.1).
 1260p1_polar(105,0.42).
 1261p1_h_doner(105,0.1).
 1262p1_h_acceptor(105,0.633).
 1263p1_size(105,0.5).
 1264p1_pi_acceptor(105,0.1).
 1265p1_branch(105,0.1).
 1266p1_sigma(105,0.367).
 1267p1_polarisable(105,0.5).
 1268p1_flex(106,0.633).
 1269p1_pi_doner(106,0.1).
 1270p1_polar(106,0.42).
 1271p1_h_doner(106,0.1).
 1272p1_h_acceptor(106,0.633).
 1273p1_size(106,0.5).
 1274p1_pi_acceptor(106,0.1).
 1275p1_branch(106,0.1).
 1276p1_sigma(106,0.367).
 1277p1_polarisable(106,0.5).
 1278p1_flex(107,0.633).
 1279p1_pi_doner(107,0.1).
 1280p1_polar(107,0.42).
 1281p1_h_doner(107,0.1).
 1282p1_h_acceptor(107,0.633).
 1283p1_size(107,0.5).
 1284p1_pi_acceptor(107,0.1).
 1285p1_branch(107,0.1).
 1286p1_sigma(107,0.367).
 1287p1_polarisable(107,0.5).
 1288p1_flex(108,0.233).
 1289p1_pi_doner(108,0.1).
 1290p1_polar(108,0.42).
 1291p1_h_doner(108,0.1).
 1292p1_h_acceptor(108,0.633).
 1293p1_size(108,0.633).
 1294p1_pi_acceptor(108,0.1).
 1295p1_branch(108,0.5).
 1296p1_sigma(108,0.367).
 1297p1_polarisable(108,0.1).
 1298p1_flex(109,0.233).
 1299p1_pi_doner(109,0.9).
 1300p1_polar(109,0.42).
 1301p1_h_doner(109,0.9).
 1302p1_h_acceptor(109,0.633).
 1303p1_size(109,0.633).
 1304p1_pi_acceptor(109,0.1).
 1305p1_branch(109,0.5).
 1306p1_sigma(109,0.367).
 1307p1_polarisable(109,0.5).
 1308p1_flex(110,0.233).
 1309p1_pi_doner(110,0.9).
 1310p1_polar(110,0.42).
 1311p1_h_doner(110,0.9).
 1312p1_h_acceptor(110,0.633).
 1313p1_size(110,0.633).
 1314p1_pi_acceptor(110,0.1).
 1315p1_branch(110,0.5).
 1316p1_sigma(110,0.367).
 1317p1_polarisable(110,0.5).
 1318p1_flex(111,0.233).
 1319p1_pi_doner(111,0.9).
 1320p1_polar(111,0.42).
 1321p1_h_doner(111,0.9).
 1322p1_h_acceptor(111,0.633).
 1323p1_size(111,0.633).
 1324p1_pi_acceptor(111,0.1).
 1325p1_branch(111,0.5).
 1326p1_sigma(111,0.367).
 1327p1_polarisable(111,0.5).
 1328p1_flex(112,0.233).
 1329p1_pi_doner(112,0.9).
 1330p1_polar(112,0.42).
 1331p1_h_doner(112,0.9).
 1332p1_h_acceptor(112,0.633).
 1333p1_size(112,0.633).
 1334p1_pi_acceptor(112,0.1).
 1335p1_branch(112,0.5).
 1336p1_sigma(112,0.367).
 1337p1_polarisable(112,0.5).
 1338p1_flex(113,0.233).
 1339p1_pi_doner(113,0.9).
 1340p1_polar(113,0.42).
 1341p1_h_doner(113,0.9).
 1342p1_h_acceptor(113,0.633).
 1343p1_size(113,0.633).
 1344p1_pi_acceptor(113,0.1).
 1345p1_branch(113,0.5).
 1346p1_sigma(113,0.367).
 1347p1_polarisable(113,0.5).
 1348p1_flex(114,0.233).
 1349p1_pi_doner(114,0.9).
 1350p1_polar(114,0.42).
 1351p1_h_doner(114,0.9).
 1352p1_h_acceptor(114,0.633).
 1353p1_size(114,0.633).
 1354p1_pi_acceptor(114,0.1).
 1355p1_branch(114,0.5).
 1356p1_sigma(114,0.367).
 1357p1_polarisable(114,0.5).
 1358p1_flex(115,0.5).
 1359p1_pi_doner(115,0.5).
 1360p1_polar(115,0.42).
 1361p1_h_doner(115,0.5).
 1362p1_h_acceptor(115,0.367).
 1363p1_size(115,0.633).
 1364p1_pi_acceptor(115,0.1).
 1365p1_branch(115,0.5).
 1366p1_sigma(115,0.1).
 1367p1_polarisable(115,0.5).
 1368p1_flex(116,0.633).
 1369p1_pi_doner(116,0.1).
 1370p1_polar(116,0.42).
 1371p1_h_doner(116,0.1).
 1372p1_h_acceptor(116,0.367).
 1373p1_size(116,0.633).
 1374p1_pi_acceptor(116,0.1).
 1375p1_branch(116,0.1).
 1376p1_sigma(116,0.367).
 1377p1_polarisable(116,0.5).
 1378p1_flex(117,0.767).
 1379p1_pi_doner(117,0.1).
 1380p1_polar(117,0.42).
 1381p1_h_doner(117,0.1).
 1382p1_h_acceptor(117,0.633).
 1383p1_size(117,0.633).
 1384p1_pi_acceptor(117,0.1).
 1385p1_branch(117,0.1).
 1386p1_sigma(117,0.367).
 1387p1_polarisable(117,0.5).
 1388p1_flex(118,0.767).
 1389p1_pi_doner(118,0.1).
 1390p1_polar(118,0.42).
 1391p1_h_doner(118,0.1).
 1392p1_h_acceptor(118,0.633).
 1393p1_size(118,0.633).
 1394p1_pi_acceptor(118,0.1).
 1395p1_branch(118,0.1).
 1396p1_sigma(118,0.367).
 1397p1_polarisable(118,0.5).
 1398p1_flex(119,0.233).
 1399p1_pi_doner(119,0.5).
 1400p1_polar(119,0.42).
 1401p1_h_doner(119,0.5).
 1402p1_h_acceptor(119,0.9).
 1403p1_size(119,0.767).
 1404p1_pi_acceptor(119,0.1).
 1405p1_branch(119,0.9).
 1406p1_sigma(119,0.1).
 1407p1_polarisable(119,0.5).
 1408p1_flex(120,0.367).
 1409p1_pi_doner(120,0.1).
 1410p1_polar(120,0.42).
 1411p1_h_doner(120,0.1).
 1412p1_h_acceptor(120,0.367).
 1413p1_size(120,0.767).
 1414p1_pi_acceptor(120,0.1).
 1415p1_branch(120,0.9).
 1416p1_sigma(120,0.1).
 1417p1_polarisable(120,0.5).
 1418p1_flex(121,0.367).
 1419p1_pi_doner(121,0.1).
 1420p1_polar(121,0.42).
 1421p1_h_doner(121,0.1).
 1422p1_h_acceptor(121,0.9).
 1423p1_size(121,0.767).
 1424p1_pi_acceptor(121,0.1).
 1425p1_branch(121,0.9).
 1426p1_sigma(121,0.367).
 1427p1_polarisable(121,0.1).
 1428p1_flex(122,0.5).
 1429p1_pi_doner(122,0.5).
 1430p1_polar(122,0.42).
 1431p1_h_doner(122,0.5).
 1432p1_h_acceptor(122,0.633).
 1433p1_size(122,0.767).
 1434p1_pi_acceptor(122,0.1).
 1435p1_branch(122,0.9).
 1436p1_sigma(122,0.1).
 1437p1_polarisable(122,0.5).
 1438p1_flex(123,0.9).
 1439p1_pi_doner(123,0.1).
 1440p1_polar(123,0.42).
 1441p1_h_doner(123,0.1).
 1442p1_h_acceptor(123,0.633).
 1443p1_size(123,0.767).
 1444p1_pi_acceptor(123,0.1).
 1445p1_branch(123,0.1).
 1446p1_sigma(123,0.367).
 1447p1_polarisable(123,0.5).
 1448p1_flex(124,0.233).
 1449p1_pi_doner(124,0.1).
 1450p1_polar(124,0.42).
 1451p1_h_doner(124,0.1).
 1452p1_h_acceptor(124,0.633).
 1453p1_size(124,0.9).
 1454p1_pi_acceptor(124,0.1).
 1455p1_branch(124,0.5).
 1456p1_sigma(124,0.367).
 1457p1_polarisable(124,0.1).
 1458p1_flex(125,0.1).
 1459p1_pi_doner(125,0.1).
 1460p1_polar(125,0.58).
 1461p1_h_doner(125,0.1).
 1462p1_h_acceptor(125,0.1).
 1463p1_size(125,0.233).
 1464p1_pi_acceptor(125,0.5).
 1465p1_branch(125,0.5).
 1466p1_sigma(125,0.9).
 1467p1_polarisable(125,0.1).
 1468p1_flex(126,0.1).
 1469p1_pi_doner(126,0.1).
 1470p1_polar(126,0.58).
 1471p1_h_doner(126,0.1).
 1472p1_h_acceptor(126,0.1).
 1473p1_size(126,0.233).
 1474p1_pi_acceptor(126,0.1).
 1475p1_branch(126,0.1).
 1476p1_sigma(126,0.9).
 1477p1_polarisable(126,0.5).
 1478p1_flex(127,0.1).
 1479p1_pi_doner(127,0.1).
 1480p1_polar(127,0.58).
 1481p1_h_doner(127,0.1).
 1482p1_h_acceptor(127,0.1).
 1483p1_size(127,0.233).
 1484p1_pi_acceptor(127,0.1).
 1485p1_branch(127,0.1).
 1486p1_sigma(127,0.9).
 1487p1_polarisable(127,0.5).
 1488p1_flex(128,0.1).
 1489p1_pi_doner(128,0.1).
 1490p1_polar(128,0.58).
 1491p1_h_doner(128,0.1).
 1492p1_h_acceptor(128,0.1).
 1493p1_size(128,0.233).
 1494p1_pi_acceptor(128,0.1).
 1495p1_branch(128,0.1).
 1496p1_sigma(128,0.9).
 1497p1_polarisable(128,0.5).
 1498p1_flex(129,0.1).
 1499p1_pi_doner(129,0.1).
 1500p1_polar(129,0.58).
 1501p1_h_doner(129,0.1).
 1502p1_h_acceptor(129,0.1).
 1503p1_size(129,0.233).
 1504p1_pi_acceptor(129,0.1).
 1505p1_branch(129,0.1).
 1506p1_sigma(129,0.9).
 1507p1_polarisable(129,0.5).
 1508p1_flex(130,0.1).
 1509p1_pi_doner(130,0.1).
 1510p1_polar(130,0.58).
 1511p1_h_doner(130,0.1).
 1512p1_h_acceptor(130,0.1).
 1513p1_size(130,0.233).
 1514p1_pi_acceptor(130,0.1).
 1515p1_branch(130,0.1).
 1516p1_sigma(130,0.9).
 1517p1_polarisable(130,0.5).
 1518p1_flex(131,0.1).
 1519p1_pi_doner(131,0.1).
 1520p1_polar(131,0.58).
 1521p1_h_doner(131,0.1).
 1522p1_h_acceptor(131,0.1).
 1523p1_size(131,0.233).
 1524p1_pi_acceptor(131,0.1).
 1525p1_branch(131,0.1).
 1526p1_sigma(131,0.9).
 1527p1_polarisable(131,0.5).
 1528p1_flex(132,0.1).
 1529p1_pi_doner(132,0.1).
 1530p1_polar(132,0.58).
 1531p1_h_doner(132,0.1).
 1532p1_h_acceptor(132,0.1).
 1533p1_size(132,0.233).
 1534p1_pi_acceptor(132,0.1).
 1535p1_branch(132,0.1).
 1536p1_sigma(132,0.9).
 1537p1_polarisable(132,0.5).
 1538p1_flex(133,0.1).
 1539p1_pi_doner(133,0.1).
 1540p1_polar(133,0.58).
 1541p1_h_doner(133,0.1).
 1542p1_h_acceptor(133,0.1).
 1543p1_size(133,0.233).
 1544p1_pi_acceptor(133,0.1).
 1545p1_branch(133,0.1).
 1546p1_sigma(133,0.9).
 1547p1_polarisable(133,0.5).
 1548p1_flex(134,0.1).
 1549p1_pi_doner(134,0.1).
 1550p1_polar(134,0.58).
 1551p1_h_doner(134,0.1).
 1552p1_h_acceptor(134,0.1).
 1553p1_size(134,0.233).
 1554p1_pi_acceptor(134,0.1).
 1555p1_branch(134,0.1).
 1556p1_sigma(134,0.9).
 1557p1_polarisable(134,0.5).
 1558p1_flex(135,0.1).
 1559p1_pi_doner(135,0.1).
 1560p1_polar(135,0.58).
 1561p1_h_doner(135,0.1).
 1562p1_h_acceptor(135,0.1).
 1563p1_size(135,0.233).
 1564p1_pi_acceptor(135,0.1).
 1565p1_branch(135,0.1).
 1566p1_sigma(135,0.9).
 1567p1_polarisable(135,0.5).
 1568p1_flex(136,0.1).
 1569p1_pi_doner(136,0.1).
 1570p1_polar(136,0.58).
 1571p1_h_doner(136,0.1).
 1572p1_h_acceptor(136,0.1).
 1573p1_size(136,0.233).
 1574p1_pi_acceptor(136,0.1).
 1575p1_branch(136,0.1).
 1576p1_sigma(136,0.9).
 1577p1_polarisable(136,0.5).
 1578p1_flex(137,0.1).
 1579p1_pi_doner(137,0.1).
 1580p1_polar(137,0.58).
 1581p1_h_doner(137,0.1).
 1582p1_h_acceptor(137,0.1).
 1583p1_size(137,0.233).
 1584p1_pi_acceptor(137,0.1).
 1585p1_branch(137,0.1).
 1586p1_sigma(137,0.9).
 1587p1_polarisable(137,0.5).
 1588p1_flex(138,0.1).
 1589p1_pi_doner(138,0.1).
 1590p1_polar(138,0.58).
 1591p1_h_doner(138,0.1).
 1592p1_h_acceptor(138,0.1).
 1593p1_size(138,0.233).
 1594p1_pi_acceptor(138,0.1).
 1595p1_branch(138,0.1).
 1596p1_sigma(138,0.9).
 1597p1_polarisable(138,0.5).
 1598p1_flex(139,0.1).
 1599p1_pi_doner(139,0.1).
 1600p1_polar(139,0.58).
 1601p1_h_doner(139,0.1).
 1602p1_h_acceptor(139,0.1).
 1603p1_size(139,0.233).
 1604p1_pi_acceptor(139,0.1).
 1605p1_branch(139,0.1).
 1606p1_sigma(139,0.9).
 1607p1_polarisable(139,0.5).
 1608p1_flex(140,0.1).
 1609p1_pi_doner(140,0.1).
 1610p1_polar(140,0.58).
 1611p1_h_doner(140,0.1).
 1612p1_h_acceptor(140,0.1).
 1613p1_size(140,0.233).
 1614p1_pi_acceptor(140,0.1).
 1615p1_branch(140,0.1).
 1616p1_sigma(140,0.9).
 1617p1_polarisable(140,0.5).
 1618p1_flex(141,0.1).
 1619p1_pi_doner(141,0.1).
 1620p1_polar(141,0.58).
 1621p1_h_doner(141,0.1).
 1622p1_h_acceptor(141,0.1).
 1623p1_size(141,0.233).
 1624p1_pi_acceptor(141,0.1).
 1625p1_branch(141,0.1).
 1626p1_sigma(141,0.9).
 1627p1_polarisable(141,0.5).
 1628p1_flex(142,0.1).
 1629p1_pi_doner(142,0.1).
 1630p1_polar(142,0.58).
 1631p1_h_doner(142,0.1).
 1632p1_h_acceptor(142,0.1).
 1633p1_size(142,0.233).
 1634p1_pi_acceptor(142,0.1).
 1635p1_branch(142,0.1).
 1636p1_sigma(142,0.9).
 1637p1_polarisable(142,0.5).
 1638p1_flex(143,0.1).
 1639p1_pi_doner(143,0.1).
 1640p1_polar(143,0.58).
 1641p1_h_doner(143,0.1).
 1642p1_h_acceptor(143,0.1).
 1643p1_size(143,0.233).
 1644p1_pi_acceptor(143,0.1).
 1645p1_branch(143,0.1).
 1646p1_sigma(143,0.9).
 1647p1_polarisable(143,0.5).
 1648p1_flex(144,0.1).
 1649p1_pi_doner(144,0.1).
 1650p1_polar(144,0.58).
 1651p1_h_doner(144,0.1).
 1652p1_h_acceptor(144,0.1).
 1653p1_size(144,0.233).
 1654p1_pi_acceptor(144,0.1).
 1655p1_branch(144,0.1).
 1656p1_sigma(144,0.9).
 1657p1_polarisable(144,0.5).
 1658p1_flex(145,0.1).
 1659p1_pi_doner(145,0.1).
 1660p1_polar(145,0.58).
 1661p1_h_doner(145,0.1).
 1662p1_h_acceptor(145,0.1).
 1663p1_size(145,0.233).
 1664p1_pi_acceptor(145,0.1).
 1665p1_branch(145,0.1).
 1666p1_sigma(145,0.9).
 1667p1_polarisable(145,0.5).
 1668p1_flex(146,0.1).
 1669p1_pi_doner(146,0.1).
 1670p1_polar(146,0.58).
 1671p1_h_doner(146,0.1).
 1672p1_h_acceptor(146,0.1).
 1673p1_size(146,0.233).
 1674p1_pi_acceptor(146,0.1).
 1675p1_branch(146,0.1).
 1676p1_sigma(146,0.9).
 1677p1_polarisable(146,0.5).
 1678p1_flex(147,0.1).
 1679p1_pi_doner(147,0.1).
 1680p1_polar(147,0.58).
 1681p1_h_doner(147,0.1).
 1682p1_h_acceptor(147,0.1).
 1683p1_size(147,0.233).
 1684p1_pi_acceptor(147,0.1).
 1685p1_branch(147,0.1).
 1686p1_sigma(147,0.9).
 1687p1_polarisable(147,0.5).
 1688p1_flex(148,0.1).
 1689p1_pi_doner(148,0.1).
 1690p1_polar(148,0.58).
 1691p1_h_doner(148,0.1).
 1692p1_h_acceptor(148,0.1).
 1693p1_size(148,0.233).
 1694p1_pi_acceptor(148,0.1).
 1695p1_branch(148,0.1).
 1696p1_sigma(148,0.9).
 1697p1_polarisable(148,0.5).
 1698p1_flex(149,0.1).
 1699p1_pi_doner(149,0.1).
 1700p1_polar(149,0.58).
 1701p1_h_doner(149,0.1).
 1702p1_h_acceptor(149,0.1).
 1703p1_size(149,0.233).
 1704p1_pi_acceptor(149,0.1).
 1705p1_branch(149,0.1).
 1706p1_sigma(149,0.9).
 1707p1_polarisable(149,0.5).
 1708p1_flex(150,0.1).
 1709p1_pi_doner(150,0.1).
 1710p1_polar(150,0.58).
 1711p1_h_doner(150,0.1).
 1712p1_h_acceptor(150,0.1).
 1713p1_size(150,0.233).
 1714p1_pi_acceptor(150,0.1).
 1715p1_branch(150,0.1).
 1716p1_sigma(150,0.9).
 1717p1_polarisable(150,0.5).
 1718p1_flex(151,0.1).
 1719p1_pi_doner(151,0.1).
 1720p1_polar(151,0.58).
 1721p1_h_doner(151,0.1).
 1722p1_h_acceptor(151,0.1).
 1723p1_size(151,0.233).
 1724p1_pi_acceptor(151,0.1).
 1725p1_branch(151,0.1).
 1726p1_sigma(151,0.9).
 1727p1_polarisable(151,0.5).
 1728p1_flex(152,0.1).
 1729p1_pi_doner(152,0.1).
 1730p1_polar(152,0.58).
 1731p1_h_doner(152,0.1).
 1732p1_h_acceptor(152,0.1).
 1733p1_size(152,0.233).
 1734p1_pi_acceptor(152,0.1).
 1735p1_branch(152,0.1).
 1736p1_sigma(152,0.9).
 1737p1_polarisable(152,0.5).
 1738p1_flex(153,0.1).
 1739p1_pi_doner(153,0.1).
 1740p1_polar(153,0.58).
 1741p1_h_doner(153,0.1).
 1742p1_h_acceptor(153,0.1).
 1743p1_size(153,0.233).
 1744p1_pi_acceptor(153,0.1).
 1745p1_branch(153,0.1).
 1746p1_sigma(153,0.9).
 1747p1_polarisable(153,0.5).
 1748p1_flex(154,0.1).
 1749p1_pi_doner(154,0.1).
 1750p1_polar(154,0.58).
 1751p1_h_doner(154,0.1).
 1752p1_h_acceptor(154,0.1).
 1753p1_size(154,0.233).
 1754p1_pi_acceptor(154,0.1).
 1755p1_branch(154,0.1).
 1756p1_sigma(154,0.9).
 1757p1_polarisable(154,0.5).
 1758p1_flex(155,0.1).
 1759p1_pi_doner(155,0.1).
 1760p1_polar(155,0.58).
 1761p1_h_doner(155,0.1).
 1762p1_h_acceptor(155,0.1).
 1763p1_size(155,0.233).
 1764p1_pi_acceptor(155,0.1).
 1765p1_branch(155,0.1).
 1766p1_sigma(155,0.9).
 1767p1_polarisable(155,0.5).
 1768p1_flex(156,0.1).
 1769p1_pi_doner(156,0.1).
 1770p1_polar(156,0.58).
 1771p1_h_doner(156,0.1).
 1772p1_h_acceptor(156,0.1).
 1773p1_size(156,0.233).
 1774p1_pi_acceptor(156,0.1).
 1775p1_branch(156,0.1).
 1776p1_sigma(156,0.9).
 1777p1_polarisable(156,0.5).
 1778p1_flex(157,0.1).
 1779p1_pi_doner(157,0.1).
 1780p1_polar(157,0.58).
 1781p1_h_doner(157,0.1).
 1782p1_h_acceptor(157,0.1).
 1783p1_size(157,0.233).
 1784p1_pi_acceptor(157,0.1).
 1785p1_branch(157,0.1).
 1786p1_sigma(157,0.9).
 1787p1_polarisable(157,0.5).
 1788p1_flex(158,0.1).
 1789p1_pi_doner(158,0.1).
 1790p1_polar(158,0.58).
 1791p1_h_doner(158,0.1).
 1792p1_h_acceptor(158,0.1).
 1793p1_size(158,0.233).
 1794p1_pi_acceptor(158,0.1).
 1795p1_branch(158,0.1).
 1796p1_sigma(158,0.9).
 1797p1_polarisable(158,0.5).
 1798p1_flex(159,0.1).
 1799p1_pi_doner(159,0.1).
 1800p1_polar(159,0.58).
 1801p1_h_doner(159,0.1).
 1802p1_h_acceptor(159,0.1).
 1803p1_size(159,0.233).
 1804p1_pi_acceptor(159,0.1).
 1805p1_branch(159,0.1).
 1806p1_sigma(159,0.9).
 1807p1_polarisable(159,0.5).
 1808p1_flex(160,0.1).
 1809p1_pi_doner(160,0.1).
 1810p1_polar(160,0.58).
 1811p1_h_doner(160,0.1).
 1812p1_h_acceptor(160,0.1).
 1813p1_size(160,0.233).
 1814p1_pi_acceptor(160,0.1).
 1815p1_branch(160,0.1).
 1816p1_sigma(160,0.9).
 1817p1_polarisable(160,0.5).
 1818p1_flex(161,0.1).
 1819p1_pi_doner(161,0.1).
 1820p1_polar(161,0.58).
 1821p1_h_doner(161,0.1).
 1822p1_h_acceptor(161,0.1).
 1823p1_size(161,0.233).
 1824p1_pi_acceptor(161,0.1).
 1825p1_branch(161,0.1).
 1826p1_sigma(161,0.9).
 1827p1_polarisable(161,0.5).
 1828p1_flex(162,0.1).
 1829p1_pi_doner(162,0.1).
 1830p1_polar(162,0.58).
 1831p1_h_doner(162,0.1).
 1832p1_h_acceptor(162,0.1).
 1833p1_size(162,0.233).
 1834p1_pi_acceptor(162,0.1).
 1835p1_branch(162,0.1).
 1836p1_sigma(162,0.9).
 1837p1_polarisable(162,0.5).
 1838p1_flex(163,0.1).
 1839p1_pi_doner(163,0.1).
 1840p1_polar(163,0.58).
 1841p1_h_doner(163,0.1).
 1842p1_h_acceptor(163,0.1).
 1843p1_size(163,0.233).
 1844p1_pi_acceptor(163,0.1).
 1845p1_branch(163,0.1).
 1846p1_sigma(163,0.9).
 1847p1_polarisable(163,0.5).
 1848p1_flex(164,0.1).
 1849p1_pi_doner(164,0.1).
 1850p1_polar(164,0.58).
 1851p1_h_doner(164,0.1).
 1852p1_h_acceptor(164,0.1).
 1853p1_size(164,0.233).
 1854p1_pi_acceptor(164,0.1).
 1855p1_branch(164,0.1).
 1856p1_sigma(164,0.9).
 1857p1_polarisable(164,0.5).
 1858p1_flex(165,0.1).
 1859p1_pi_doner(165,0.1).
 1860p1_polar(165,0.58).
 1861p1_h_doner(165,0.1).
 1862p1_h_acceptor(165,0.1).
 1863p1_size(165,0.233).
 1864p1_pi_acceptor(165,0.1).
 1865p1_branch(165,0.1).
 1866p1_sigma(165,0.9).
 1867p1_polarisable(165,0.5).
 1868p1_flex(166,0.1).
 1869p1_pi_doner(166,0.1).
 1870p1_polar(166,0.58).
 1871p1_h_doner(166,0.1).
 1872p1_h_acceptor(166,0.1).
 1873p1_size(166,0.233).
 1874p1_pi_acceptor(166,0.1).
 1875p1_branch(166,0.1).
 1876p1_sigma(166,0.9).
 1877p1_polarisable(166,0.5).
 1878p1_flex(167,0.1).
 1879p1_pi_doner(167,0.1).
 1880p1_polar(167,0.58).
 1881p1_h_doner(167,0.1).
 1882p1_h_acceptor(167,0.1).
 1883p1_size(167,0.233).
 1884p1_pi_acceptor(167,0.1).
 1885p1_branch(167,0.1).
 1886p1_sigma(167,0.9).
 1887p1_polarisable(167,0.5).
 1888p1_flex(168,0.1).
 1889p1_pi_doner(168,0.1).
 1890p1_polar(168,0.58).
 1891p1_h_doner(168,0.1).
 1892p1_h_acceptor(168,0.1).
 1893p1_size(168,0.233).
 1894p1_pi_acceptor(168,0.1).
 1895p1_branch(168,0.1).
 1896p1_sigma(168,0.9).
 1897p1_polarisable(168,0.5).
 1898p1_flex(169,0.1).
 1899p1_pi_doner(169,0.1).
 1900p1_polar(169,0.58).
 1901p1_h_doner(169,0.1).
 1902p1_h_acceptor(169,0.1).
 1903p1_size(169,0.233).
 1904p1_pi_acceptor(169,0.1).
 1905p1_branch(169,0.1).
 1906p1_sigma(169,0.9).
 1907p1_polarisable(169,0.5).
 1908p1_flex(170,0.1).
 1909p1_pi_doner(170,0.1).
 1910p1_polar(170,0.58).
 1911p1_h_doner(170,0.1).
 1912p1_h_acceptor(170,0.1).
 1913p1_size(170,0.233).
 1914p1_pi_acceptor(170,0.1).
 1915p1_branch(170,0.1).
 1916p1_sigma(170,0.9).
 1917p1_polarisable(170,0.5).
 1918p1_flex(171,0.1).
 1919p1_pi_doner(171,0.1).
 1920p1_polar(171,0.58).
 1921p1_h_doner(171,0.1).
 1922p1_h_acceptor(171,0.1).
 1923p1_size(171,0.233).
 1924p1_pi_acceptor(171,0.1).
 1925p1_branch(171,0.1).
 1926p1_sigma(171,0.9).
 1927p1_polarisable(171,0.5).
 1928p1_flex(172,0.1).
 1929p1_pi_doner(172,0.1).
 1930p1_polar(172,0.58).
 1931p1_h_doner(172,0.1).
 1932p1_h_acceptor(172,0.1).
 1933p1_size(172,0.233).
 1934p1_pi_acceptor(172,0.1).
 1935p1_branch(172,0.1).
 1936p1_sigma(172,0.9).
 1937p1_polarisable(172,0.5).
 1938p1_flex(173,0.1).
 1939p1_pi_doner(173,0.1).
 1940p1_polar(173,0.58).
 1941p1_h_doner(173,0.1).
 1942p1_h_acceptor(173,0.1).
 1943p1_size(173,0.233).
 1944p1_pi_acceptor(173,0.1).
 1945p1_branch(173,0.1).
 1946p1_sigma(173,0.9).
 1947p1_polarisable(173,0.5).
 1948p1_flex(174,0.1).
 1949p1_pi_doner(174,0.1).
 1950p1_polar(174,0.58).
 1951p1_h_doner(174,0.1).
 1952p1_h_acceptor(174,0.1).
 1953p1_size(174,0.233).
 1954p1_pi_acceptor(174,0.1).
 1955p1_branch(174,0.1).
 1956p1_sigma(174,0.9).
 1957p1_polarisable(174,0.5).
 1958p1_flex(175,0.1).
 1959p1_pi_doner(175,0.1).
 1960p1_polar(175,0.58).
 1961p1_h_doner(175,0.1).
 1962p1_h_acceptor(175,0.1).
 1963p1_size(175,0.233).
 1964p1_pi_acceptor(175,0.1).
 1965p1_branch(175,0.1).
 1966p1_sigma(175,0.9).
 1967p1_polarisable(175,0.5).
 1968p1_flex(176,0.1).
 1969p1_pi_doner(176,0.1).
 1970p1_polar(176,0.58).
 1971p1_h_doner(176,0.1).
 1972p1_h_acceptor(176,0.1).
 1973p1_size(176,0.233).
 1974p1_pi_acceptor(176,0.1).
 1975p1_branch(176,0.1).
 1976p1_sigma(176,0.9).
 1977p1_polarisable(176,0.5).
 1978p1_flex(177,0.1).
 1979p1_pi_doner(177,0.1).
 1980p1_polar(177,0.58).
 1981p1_h_doner(177,0.1).
 1982p1_h_acceptor(177,0.1).
 1983p1_size(177,0.233).
 1984p1_pi_acceptor(177,0.1).
 1985p1_branch(177,0.1).
 1986p1_sigma(177,0.9).
 1987p1_polarisable(177,0.5).
 1988p1_flex(178,0.1).
 1989p1_pi_doner(178,0.1).
 1990p1_polar(178,0.58).
 1991p1_h_doner(178,0.1).
 1992p1_h_acceptor(178,0.1).
 1993p1_size(178,0.233).
 1994p1_pi_acceptor(178,0.1).
 1995p1_branch(178,0.1).
 1996p1_sigma(178,0.9).
 1997p1_polarisable(178,0.5).
 1998p1_flex(179,0.1).
 1999p1_pi_doner(179,0.1).
 2000p1_polar(179,0.58).
 2001p1_h_doner(179,0.1).
 2002p1_h_acceptor(179,0.1).
 2003p1_size(179,0.233).
 2004p1_pi_acceptor(179,0.1).
 2005p1_branch(179,0.1).
 2006p1_sigma(179,0.9).
 2007p1_polarisable(179,0.5).
 2008p1_flex(180,0.1).
 2009p1_pi_doner(180,0.1).
 2010p1_polar(180,0.58).
 2011p1_h_doner(180,0.1).
 2012p1_h_acceptor(180,0.1).
 2013p1_size(180,0.233).
 2014p1_pi_acceptor(180,0.1).
 2015p1_branch(180,0.1).
 2016p1_sigma(180,0.9).
 2017p1_polarisable(180,0.5).
 2018p1_flex(181,0.1).
 2019p1_pi_doner(181,0.1).
 2020p1_polar(181,0.58).
 2021p1_h_doner(181,0.1).
 2022p1_h_acceptor(181,0.1).
 2023p1_size(181,0.233).
 2024p1_pi_acceptor(181,0.1).
 2025p1_branch(181,0.1).
 2026p1_sigma(181,0.9).
 2027p1_polarisable(181,0.5).
 2028p1_flex(182,0.1).
 2029p1_pi_doner(182,0.1).
 2030p1_polar(182,0.58).
 2031p1_h_doner(182,0.1).
 2032p1_h_acceptor(182,0.1).
 2033p1_size(182,0.233).
 2034p1_pi_acceptor(182,0.1).
 2035p1_branch(182,0.1).
 2036p1_sigma(182,0.633).
 2037p1_polarisable(182,0.9).
 2038p1_flex(183,0.233).
 2039p1_pi_doner(183,0.1).
 2040p1_polar(183,0.58).
 2041p1_h_doner(183,0.1).
 2042p1_h_acceptor(183,0.367).
 2043p1_size(183,0.367).
 2044p1_pi_acceptor(183,0.5).
 2045p1_branch(183,0.5).
 2046p1_sigma(183,0.1).
 2047p1_polarisable(183,0.5).
 2048p1_flex(184,0.233).
 2049p1_pi_doner(184,0.5).
 2050p1_polar(184,0.58).
 2051p1_h_doner(184,0.5).
 2052p1_h_acceptor(184,0.367).
 2053p1_size(184,0.367).
 2054p1_pi_acceptor(184,0.5).
 2055p1_branch(184,0.5).
 2056p1_sigma(184,0.1).
 2057p1_polarisable(184,0.5).
 2058p1_flex(185,0.1).
 2059p1_pi_doner(185,0.1).
 2060p1_polar(185,0.74).
 2061p1_h_doner(185,0.1).
 2062p1_h_acceptor(185,0.1).
 2063p1_size(185,0.367).
 2064p1_pi_acceptor(185,0.5).
 2065p1_branch(185,0.9).
 2066p1_sigma(185,0.633).
 2067p1_polarisable(185,0.9).
 2068p1_flex(186,0.1).
 2069p1_pi_doner(186,0.1).
 2070p1_polar(186,0.9).
 2071p1_h_doner(186,0.1).
 2072p1_h_acceptor(186,0.1).
 2073p1_size(186,0.367).
 2074p1_pi_acceptor(186,0.9).
 2075p1_branch(186,0.5).
 2076p1_sigma(186,0.9).
 2077p1_polarisable(186,0.1).
 2078p2_flex(1,0.1).
 2079p2_pi_doner(1,0.1).
 2080p2_polar(1,0.1).
 2081p2_h_doner(1,0.1).
 2082p2_h_acceptor(1,0.1).
 2083p2_size(1,0.1).
 2084p2_pi_acceptor(1,0.1).
 2085p2_branch(1,0.1).
 2086p2_sigma(1,0.1).
 2087p2_polarisable(1,0.1).
 2088p2_flex(2,0.1).
 2089p2_pi_doner(2,0.1).
 2090p2_polar(2,0.1).
 2091p2_h_doner(2,0.1).
 2092p2_h_acceptor(2,0.1).
 2093p2_size(2,0.1).
 2094p2_pi_acceptor(2,0.1).
 2095p2_branch(2,0.1).
 2096p2_sigma(2,0.1).
 2097p2_polarisable(2,0.1).
 2098p2_flex(3,0.1).
 2099p2_pi_doner(3,0.1).
 2100p2_polar(3,0.1).
 2101p2_h_doner(3,0.1).
 2102p2_h_acceptor(3,0.1).
 2103p2_size(3,0.1).
 2104p2_pi_acceptor(3,0.1).
 2105p2_branch(3,0.1).
 2106p2_sigma(3,0.1).
 2107p2_polarisable(3,0.1).
 2108p2_flex(4,0.1).
 2109p2_pi_doner(4,0.1).
 2110p2_polar(4,0.1).
 2111p2_h_doner(4,0.1).
 2112p2_h_acceptor(4,0.1).
 2113p2_size(4,0.1).
 2114p2_pi_acceptor(4,0.1).
 2115p2_branch(4,0.1).
 2116p2_sigma(4,0.1).
 2117p2_polarisable(4,0.1).
 2118p2_flex(5,0.1).
 2119p2_pi_doner(5,0.1).
 2120p2_polar(5,0.1).
 2121p2_h_doner(5,0.1).
 2122p2_h_acceptor(5,0.1).
 2123p2_size(5,0.1).
 2124p2_pi_acceptor(5,0.1).
 2125p2_branch(5,0.1).
 2126p2_sigma(5,0.1).
 2127p2_polarisable(5,0.1).
 2128p2_flex(6,0.1).
 2129p2_pi_doner(6,0.1).
 2130p2_polar(6,0.1).
 2131p2_h_doner(6,0.1).
 2132p2_h_acceptor(6,0.1).
 2133p2_size(6,0.1).
 2134p2_pi_acceptor(6,0.1).
 2135p2_branch(6,0.1).
 2136p2_sigma(6,0.1).
 2137p2_polarisable(6,0.1).
 2138p2_flex(7,0.1).
 2139p2_pi_doner(7,0.1).
 2140p2_polar(7,0.1).
 2141p2_h_doner(7,0.1).
 2142p2_h_acceptor(7,0.1).
 2143p2_size(7,0.1).
 2144p2_pi_acceptor(7,0.1).
 2145p2_branch(7,0.1).
 2146p2_sigma(7,0.1).
 2147p2_polarisable(7,0.1).
 2148p2_flex(8,0.1).
 2149p2_pi_doner(8,0.1).
 2150p2_polar(8,0.1).
 2151p2_h_doner(8,0.1).
 2152p2_h_acceptor(8,0.1).
 2153p2_size(8,0.1).
 2154p2_pi_acceptor(8,0.1).
 2155p2_branch(8,0.1).
 2156p2_sigma(8,0.1).
 2157p2_polarisable(8,0.1).
 2158p2_flex(9,0.1).
 2159p2_pi_doner(9,0.1).
 2160p2_polar(9,0.1).
 2161p2_h_doner(9,0.1).
 2162p2_h_acceptor(9,0.1).
 2163p2_size(9,0.1).
 2164p2_pi_acceptor(9,0.1).
 2165p2_branch(9,0.1).
 2166p2_sigma(9,0.1).
 2167p2_polarisable(9,0.1).
 2168p2_flex(10,0.1).
 2169p2_pi_doner(10,0.1).
 2170p2_polar(10,0.1).
 2171p2_h_doner(10,0.1).
 2172p2_h_acceptor(10,0.1).
 2173p2_size(10,0.1).
 2174p2_pi_acceptor(10,0.1).
 2175p2_branch(10,0.1).
 2176p2_sigma(10,0.1).
 2177p2_polarisable(10,0.1).
 2178p2_flex(11,0.1).
 2179p2_pi_doner(11,0.1).
 2180p2_polar(11,0.1).
 2181p2_h_doner(11,0.1).
 2182p2_h_acceptor(11,0.1).
 2183p2_size(11,0.1).
 2184p2_pi_acceptor(11,0.1).
 2185p2_branch(11,0.1).
 2186p2_sigma(11,0.1).
 2187p2_polarisable(11,0.1).
 2188p2_flex(12,0.1).
 2189p2_pi_doner(12,0.1).
 2190p2_polar(12,0.1).
 2191p2_h_doner(12,0.1).
 2192p2_h_acceptor(12,0.1).
 2193p2_size(12,0.1).
 2194p2_pi_acceptor(12,0.1).
 2195p2_branch(12,0.1).
 2196p2_sigma(12,0.1).
 2197p2_polarisable(12,0.1).
 2198p2_flex(13,0.1).
 2199p2_pi_doner(13,0.1).
 2200p2_polar(13,0.1).
 2201p2_h_doner(13,0.1).
 2202p2_h_acceptor(13,0.1).
 2203p2_size(13,0.1).
 2204p2_pi_acceptor(13,0.1).
 2205p2_branch(13,0.1).
 2206p2_sigma(13,0.1).
 2207p2_polarisable(13,0.1).
 2208p2_flex(14,0.1).
 2209p2_pi_doner(14,0.1).
 2210p2_polar(14,0.1).
 2211p2_h_doner(14,0.1).
 2212p2_h_acceptor(14,0.1).
 2213p2_size(14,0.1).
 2214p2_pi_acceptor(14,0.1).
 2215p2_branch(14,0.1).
 2216p2_sigma(14,0.1).
 2217p2_polarisable(14,0.1).
 2218p2_flex(15,0.1).
 2219p2_pi_doner(15,0.1).
 2220p2_polar(15,0.1).
 2221p2_h_doner(15,0.1).
 2222p2_h_acceptor(15,0.1).
 2223p2_size(15,0.1).
 2224p2_pi_acceptor(15,0.1).
 2225p2_branch(15,0.1).
 2226p2_sigma(15,0.1).
 2227p2_polarisable(15,0.1).
 2228p2_flex(16,0.1).
 2229p2_pi_doner(16,0.1).
 2230p2_polar(16,0.1).
 2231p2_h_doner(16,0.1).
 2232p2_h_acceptor(16,0.1).
 2233p2_size(16,0.1).
 2234p2_pi_acceptor(16,0.1).
 2235p2_branch(16,0.1).
 2236p2_sigma(16,0.1).
 2237p2_polarisable(16,0.1).
 2238p2_flex(17,0.1).
 2239p2_pi_doner(17,0.1).
 2240p2_polar(17,0.1).
 2241p2_h_doner(17,0.1).
 2242p2_h_acceptor(17,0.1).
 2243p2_size(17,0.1).
 2244p2_pi_acceptor(17,0.1).
 2245p2_branch(17,0.1).
 2246p2_sigma(17,0.1).
 2247p2_polarisable(17,0.1).
 2248p2_flex(18,0.1).
 2249p2_pi_doner(18,0.1).
 2250p2_polar(18,0.1).
 2251p2_h_doner(18,0.1).
 2252p2_h_acceptor(18,0.1).
 2253p2_size(18,0.1).
 2254p2_pi_acceptor(18,0.1).
 2255p2_branch(18,0.1).
 2256p2_sigma(18,0.1).
 2257p2_polarisable(18,0.1).
 2258p2_flex(19,0.1).
 2259p2_pi_doner(19,0.1).
 2260p2_polar(19,0.1).
 2261p2_h_doner(19,0.1).
 2262p2_h_acceptor(19,0.1).
 2263p2_size(19,0.1).
 2264p2_pi_acceptor(19,0.1).
 2265p2_branch(19,0.1).
 2266p2_sigma(19,0.1).
 2267p2_polarisable(19,0.1).
 2268p2_flex(20,0.1).
 2269p2_pi_doner(20,0.1).
 2270p2_polar(20,0.1).
 2271p2_h_doner(20,0.1).
 2272p2_h_acceptor(20,0.1).
 2273p2_size(20,0.1).
 2274p2_pi_acceptor(20,0.1).
 2275p2_branch(20,0.1).
 2276p2_sigma(20,0.1).
 2277p2_polarisable(20,0.1).
 2278p2_flex(21,0.1).
 2279p2_pi_doner(21,0.1).
 2280p2_polar(21,0.1).
 2281p2_h_doner(21,0.1).
 2282p2_h_acceptor(21,0.1).
 2283p2_size(21,0.1).
 2284p2_pi_acceptor(21,0.1).
 2285p2_branch(21,0.1).
 2286p2_sigma(21,0.1).
 2287p2_polarisable(21,0.1).
 2288p2_flex(22,0.1).
 2289p2_pi_doner(22,0.1).
 2290p2_polar(22,0.1).
 2291p2_h_doner(22,0.1).
 2292p2_h_acceptor(22,0.1).
 2293p2_size(22,0.1).
 2294p2_pi_acceptor(22,0.1).
 2295p2_branch(22,0.1).
 2296p2_sigma(22,0.1).
 2297p2_polarisable(22,0.1).
 2298p2_flex(23,0.1).
 2299p2_pi_doner(23,0.1).
 2300p2_polar(23,0.1).
 2301p2_h_doner(23,0.1).
 2302p2_h_acceptor(23,0.1).
 2303p2_size(23,0.1).
 2304p2_pi_acceptor(23,0.1).
 2305p2_branch(23,0.1).
 2306p2_sigma(23,0.1).
 2307p2_polarisable(23,0.1).
 2308p2_flex(24,0.1).
 2309p2_pi_doner(24,0.1).
 2310p2_polar(24,0.1).
 2311p2_h_doner(24,0.1).
 2312p2_h_acceptor(24,0.1).
 2313p2_size(24,0.1).
 2314p2_pi_acceptor(24,0.1).
 2315p2_branch(24,0.1).
 2316p2_sigma(24,0.1).
 2317p2_polarisable(24,0.1).
 2318p2_flex(25,0.1).
 2319p2_pi_doner(25,0.1).
 2320p2_polar(25,0.1).
 2321p2_h_doner(25,0.1).
 2322p2_h_acceptor(25,0.1).
 2323p2_size(25,0.1).
 2324p2_pi_acceptor(25,0.1).
 2325p2_branch(25,0.1).
 2326p2_sigma(25,0.1).
 2327p2_polarisable(25,0.1).
 2328p2_flex(26,0.1).
 2329p2_pi_doner(26,0.1).
 2330p2_polar(26,0.1).
 2331p2_h_doner(26,0.1).
 2332p2_h_acceptor(26,0.1).
 2333p2_size(26,0.1).
 2334p2_pi_acceptor(26,0.1).
 2335p2_branch(26,0.1).
 2336p2_sigma(26,0.1).
 2337p2_polarisable(26,0.1).
 2338p2_flex(27,0.1).
 2339p2_pi_doner(27,0.1).
 2340p2_polar(27,0.1).
 2341p2_h_doner(27,0.1).
 2342p2_h_acceptor(27,0.1).
 2343p2_size(27,0.1).
 2344p2_pi_acceptor(27,0.1).
 2345p2_branch(27,0.1).
 2346p2_sigma(27,0.1).
 2347p2_polarisable(27,0.1).
 2348p2_flex(28,0.1).
 2349p2_pi_doner(28,0.1).
 2350p2_polar(28,0.1).
 2351p2_h_doner(28,0.1).
 2352p2_h_acceptor(28,0.1).
 2353p2_size(28,0.1).
 2354p2_pi_acceptor(28,0.1).
 2355p2_branch(28,0.1).
 2356p2_sigma(28,0.1).
 2357p2_polarisable(28,0.1).
 2358p2_flex(29,0.1).
 2359p2_pi_doner(29,0.1).
 2360p2_polar(29,0.1).
 2361p2_h_doner(29,0.1).
 2362p2_h_acceptor(29,0.1).
 2363p2_size(29,0.1).
 2364p2_pi_acceptor(29,0.1).
 2365p2_branch(29,0.1).
 2366p2_sigma(29,0.1).
 2367p2_polarisable(29,0.1).
 2368p2_flex(30,0.1).
 2369p2_pi_doner(30,0.1).
 2370p2_polar(30,0.1).
 2371p2_h_doner(30,0.1).
 2372p2_h_acceptor(30,0.1).
 2373p2_size(30,0.1).
 2374p2_pi_acceptor(30,0.1).
 2375p2_branch(30,0.1).
 2376p2_sigma(30,0.1).
 2377p2_polarisable(30,0.1).
 2378p2_flex(31,0.1).
 2379p2_pi_doner(31,0.1).
 2380p2_polar(31,0.1).
 2381p2_h_doner(31,0.1).
 2382p2_h_acceptor(31,0.1).
 2383p2_size(31,0.1).
 2384p2_pi_acceptor(31,0.1).
 2385p2_branch(31,0.1).
 2386p2_sigma(31,0.1).
 2387p2_polarisable(31,0.1).
 2388p2_flex(32,0.1).
 2389p2_pi_doner(32,0.1).
 2390p2_polar(32,0.1).
 2391p2_h_doner(32,0.1).
 2392p2_h_acceptor(32,0.1).
 2393p2_size(32,0.1).
 2394p2_pi_acceptor(32,0.1).
 2395p2_branch(32,0.1).
 2396p2_sigma(32,0.1).
 2397p2_polarisable(32,0.1).
 2398p2_flex(33,0.1).
 2399p2_pi_doner(33,0.1).
 2400p2_polar(33,0.1).
 2401p2_h_doner(33,0.1).
 2402p2_h_acceptor(33,0.1).
 2403p2_size(33,0.1).
 2404p2_pi_acceptor(33,0.1).
 2405p2_branch(33,0.1).
 2406p2_sigma(33,0.1).
 2407p2_polarisable(33,0.1).
 2408p2_flex(34,0.1).
 2409p2_pi_doner(34,0.1).
 2410p2_polar(34,0.1).
 2411p2_h_doner(34,0.1).
 2412p2_h_acceptor(34,0.1).
 2413p2_size(34,0.1).
 2414p2_pi_acceptor(34,0.1).
 2415p2_branch(34,0.1).
 2416p2_sigma(34,0.1).
 2417p2_polarisable(34,0.1).
 2418p2_flex(35,0.1).
 2419p2_pi_doner(35,0.1).
 2420p2_polar(35,0.1).
 2421p2_h_doner(35,0.1).
 2422p2_h_acceptor(35,0.1).
 2423p2_size(35,0.1).
 2424p2_pi_acceptor(35,0.1).
 2425p2_branch(35,0.1).
 2426p2_sigma(35,0.1).
 2427p2_polarisable(35,0.1).
 2428p2_flex(36,0.1).
 2429p2_pi_doner(36,0.1).
 2430p2_polar(36,0.1).
 2431p2_h_doner(36,0.1).
 2432p2_h_acceptor(36,0.1).
 2433p2_size(36,0.1).
 2434p2_pi_acceptor(36,0.1).
 2435p2_branch(36,0.1).
 2436p2_sigma(36,0.1).
 2437p2_polarisable(36,0.1).
 2438p2_flex(37,0.1).
 2439p2_pi_doner(37,0.1).
 2440p2_polar(37,0.1).
 2441p2_h_doner(37,0.1).
 2442p2_h_acceptor(37,0.1).
 2443p2_size(37,0.1).
 2444p2_pi_acceptor(37,0.1).
 2445p2_branch(37,0.1).
 2446p2_sigma(37,0.1).
 2447p2_polarisable(37,0.1).
 2448p2_flex(38,0.1).
 2449p2_pi_doner(38,0.1).
 2450p2_polar(38,0.1).
 2451p2_h_doner(38,0.1).
 2452p2_h_acceptor(38,0.1).
 2453p2_size(38,0.1).
 2454p2_pi_acceptor(38,0.1).
 2455p2_branch(38,0.1).
 2456p2_sigma(38,0.1).
 2457p2_polarisable(38,0.1).
 2458p2_flex(39,0.1).
 2459p2_pi_doner(39,0.1).
 2460p2_polar(39,0.1).
 2461p2_h_doner(39,0.1).
 2462p2_h_acceptor(39,0.1).
 2463p2_size(39,0.1).
 2464p2_pi_acceptor(39,0.1).
 2465p2_branch(39,0.1).
 2466p2_sigma(39,0.1).
 2467p2_polarisable(39,0.1).
 2468p2_flex(40,0.1).
 2469p2_pi_doner(40,0.1).
 2470p2_polar(40,0.1).
 2471p2_h_doner(40,0.1).
 2472p2_h_acceptor(40,0.1).
 2473p2_size(40,0.1).
 2474p2_pi_acceptor(40,0.1).
 2475p2_branch(40,0.1).
 2476p2_sigma(40,0.1).
 2477p2_polarisable(40,0.1).
 2478p2_flex(41,0.1).
 2479p2_pi_doner(41,0.1).
 2480p2_polar(41,0.1).
 2481p2_h_doner(41,0.1).
 2482p2_h_acceptor(41,0.1).
 2483p2_size(41,0.1).
 2484p2_pi_acceptor(41,0.1).
 2485p2_branch(41,0.1).
 2486p2_sigma(41,0.1).
 2487p2_polarisable(41,0.1).
 2488p2_flex(42,0.1).
 2489p2_pi_doner(42,0.1).
 2490p2_polar(42,0.1).
 2491p2_h_doner(42,0.1).
 2492p2_h_acceptor(42,0.1).
 2493p2_size(42,0.1).
 2494p2_pi_acceptor(42,0.1).
 2495p2_branch(42,0.1).
 2496p2_sigma(42,0.1).
 2497p2_polarisable(42,0.1).
 2498p2_flex(43,0.1).
 2499p2_pi_doner(43,0.1).
 2500p2_polar(43,0.1).
 2501p2_h_doner(43,0.1).
 2502p2_h_acceptor(43,0.1).
 2503p2_size(43,0.1).
 2504p2_pi_acceptor(43,0.1).
 2505p2_branch(43,0.1).
 2506p2_sigma(43,0.1).
 2507p2_polarisable(43,0.1).
 2508p2_flex(44,0.1).
 2509p2_pi_doner(44,0.1).
 2510p2_polar(44,0.1).
 2511p2_h_doner(44,0.1).
 2512p2_h_acceptor(44,0.1).
 2513p2_size(44,0.1).
 2514p2_pi_acceptor(44,0.1).
 2515p2_branch(44,0.1).
 2516p2_sigma(44,0.1).
 2517p2_polarisable(44,0.1).
 2518p2_flex(45,0.1).
 2519p2_pi_doner(45,0.1).
 2520p2_polar(45,0.1).
 2521p2_h_doner(45,0.1).
 2522p2_h_acceptor(45,0.1).
 2523p2_size(45,0.1).
 2524p2_pi_acceptor(45,0.1).
 2525p2_branch(45,0.1).
 2526p2_sigma(45,0.1).
 2527p2_polarisable(45,0.1).
 2528p2_flex(46,0.1).
 2529p2_pi_doner(46,0.1).
 2530p2_polar(46,0.1).
 2531p2_h_doner(46,0.1).
 2532p2_h_acceptor(46,0.1).
 2533p2_size(46,0.1).
 2534p2_pi_acceptor(46,0.1).
 2535p2_branch(46,0.1).
 2536p2_sigma(46,0.1).
 2537p2_polarisable(46,0.1).
 2538p2_flex(47,0.1).
 2539p2_pi_doner(47,0.1).
 2540p2_polar(47,0.1).
 2541p2_h_doner(47,0.1).
 2542p2_h_acceptor(47,0.1).
 2543p2_size(47,0.1).
 2544p2_pi_acceptor(47,0.1).
 2545p2_branch(47,0.1).
 2546p2_sigma(47,0.1).
 2547p2_polarisable(47,0.1).
 2548p2_flex(48,0.1).
 2549p2_pi_doner(48,0.1).
 2550p2_polar(48,0.1).
 2551p2_h_doner(48,0.1).
 2552p2_h_acceptor(48,0.1).
 2553p2_size(48,0.1).
 2554p2_pi_acceptor(48,0.1).
 2555p2_branch(48,0.1).
 2556p2_sigma(48,0.1).
 2557p2_polarisable(48,0.1).
 2558p2_flex(49,0.1).
 2559p2_pi_doner(49,0.1).
 2560p2_polar(49,0.1).
 2561p2_h_doner(49,0.1).
 2562p2_h_acceptor(49,0.1).
 2563p2_size(49,0.1).
 2564p2_pi_acceptor(49,0.1).
 2565p2_branch(49,0.1).
 2566p2_sigma(49,0.1).
 2567p2_polarisable(49,0.1).
 2568p2_flex(50,0.1).
 2569p2_pi_doner(50,0.1).
 2570p2_polar(50,0.1).
 2571p2_h_doner(50,0.1).
 2572p2_h_acceptor(50,0.1).
 2573p2_size(50,0.1).
 2574p2_pi_acceptor(50,0.1).
 2575p2_branch(50,0.1).
 2576p2_sigma(50,0.1).
 2577p2_polarisable(50,0.1).
 2578p2_flex(51,0.1).
 2579p2_pi_doner(51,0.1).
 2580p2_polar(51,0.1).
 2581p2_h_doner(51,0.1).
 2582p2_h_acceptor(51,0.1).
 2583p2_size(51,0.1).
 2584p2_pi_acceptor(51,0.1).
 2585p2_branch(51,0.1).
 2586p2_sigma(51,0.1).
 2587p2_polarisable(51,0.1).
 2588p2_flex(52,0.1).
 2589p2_pi_doner(52,0.1).
 2590p2_polar(52,0.1).
 2591p2_h_doner(52,0.1).
 2592p2_h_acceptor(52,0.1).
 2593p2_size(52,0.1).
 2594p2_pi_acceptor(52,0.1).
 2595p2_branch(52,0.1).
 2596p2_sigma(52,0.1).
 2597p2_polarisable(52,0.1).
 2598p2_flex(53,0.1).
 2599p2_pi_doner(53,0.1).
 2600p2_polar(53,0.1).
 2601p2_h_doner(53,0.1).
 2602p2_h_acceptor(53,0.1).
 2603p2_size(53,0.1).
 2604p2_pi_acceptor(53,0.1).
 2605p2_branch(53,0.1).
 2606p2_sigma(53,0.1).
 2607p2_polarisable(53,0.1).
 2608p2_flex(54,0.1).
 2609p2_pi_doner(54,0.1).
 2610p2_polar(54,0.1).
 2611p2_h_doner(54,0.1).
 2612p2_h_acceptor(54,0.1).
 2613p2_size(54,0.1).
 2614p2_pi_acceptor(54,0.1).
 2615p2_branch(54,0.1).
 2616p2_sigma(54,0.1).
 2617p2_polarisable(54,0.1).
 2618p2_flex(55,0.1).
 2619p2_pi_doner(55,0.1).
 2620p2_polar(55,0.1).
 2621p2_h_doner(55,0.1).
 2622p2_h_acceptor(55,0.1).
 2623p2_size(55,0.1).
 2624p2_pi_acceptor(55,0.1).
 2625p2_branch(55,0.1).
 2626p2_sigma(55,0.1).
 2627p2_polarisable(55,0.1).
 2628p2_flex(56,0.1).
 2629p2_pi_doner(56,0.1).
 2630p2_polar(56,0.1).
 2631p2_h_doner(56,0.1).
 2632p2_h_acceptor(56,0.1).
 2633p2_size(56,0.1).
 2634p2_pi_acceptor(56,0.1).
 2635p2_branch(56,0.1).
 2636p2_sigma(56,0.1).
 2637p2_polarisable(56,0.1).
 2638p2_flex(57,0.1).
 2639p2_pi_doner(57,0.1).
 2640p2_polar(57,0.1).
 2641p2_h_doner(57,0.1).
 2642p2_h_acceptor(57,0.1).
 2643p2_size(57,0.1).
 2644p2_pi_acceptor(57,0.1).
 2645p2_branch(57,0.1).
 2646p2_sigma(57,0.1).
 2647p2_polarisable(57,0.1).
 2648p2_flex(58,0.1).
 2649p2_pi_doner(58,0.1).
 2650p2_polar(58,0.1).
 2651p2_h_doner(58,0.1).
 2652p2_h_acceptor(58,0.1).
 2653p2_size(58,0.1).
 2654p2_pi_acceptor(58,0.1).
 2655p2_branch(58,0.1).
 2656p2_sigma(58,0.1).
 2657p2_polarisable(58,0.1).
 2658p2_flex(59,0.1).
 2659p2_pi_doner(59,0.1).
 2660p2_polar(59,0.1).
 2661p2_h_doner(59,0.1).
 2662p2_h_acceptor(59,0.1).
 2663p2_size(59,0.1).
 2664p2_pi_acceptor(59,0.1).
 2665p2_branch(59,0.1).
 2666p2_sigma(59,0.1).
 2667p2_polarisable(59,0.1).
 2668p2_flex(60,0.1).
 2669p2_pi_doner(60,0.1).
 2670p2_polar(60,0.1).
 2671p2_h_doner(60,0.1).
 2672p2_h_acceptor(60,0.1).
 2673p2_size(60,0.1).
 2674p2_pi_acceptor(60,0.1).
 2675p2_branch(60,0.1).
 2676p2_sigma(60,0.1).
 2677p2_polarisable(60,0.1).
 2678p2_flex(61,0.1).
 2679p2_pi_doner(61,0.1).
 2680p2_polar(61,0.1).
 2681p2_h_doner(61,0.1).
 2682p2_h_acceptor(61,0.1).
 2683p2_size(61,0.1).
 2684p2_pi_acceptor(61,0.1).
 2685p2_branch(61,0.1).
 2686p2_sigma(61,0.1).
 2687p2_polarisable(61,0.1).
 2688p2_flex(62,0.1).
 2689p2_pi_doner(62,0.1).
 2690p2_polar(62,0.1).
 2691p2_h_doner(62,0.1).
 2692p2_h_acceptor(62,0.1).
 2693p2_size(62,0.1).
 2694p2_pi_acceptor(62,0.1).
 2695p2_branch(62,0.1).
 2696p2_sigma(62,0.1).
 2697p2_polarisable(62,0.1).
 2698p2_flex(63,0.1).
 2699p2_pi_doner(63,0.1).
 2700p2_polar(63,0.1).
 2701p2_h_doner(63,0.1).
 2702p2_h_acceptor(63,0.1).
 2703p2_size(63,0.1).
 2704p2_pi_acceptor(63,0.1).
 2705p2_branch(63,0.1).
 2706p2_sigma(63,0.1).
 2707p2_polarisable(63,0.1).
 2708p2_flex(64,0.1).
 2709p2_pi_doner(64,0.1).
 2710p2_polar(64,0.1).
 2711p2_h_doner(64,0.1).
 2712p2_h_acceptor(64,0.1).
 2713p2_size(64,0.1).
 2714p2_pi_acceptor(64,0.1).
 2715p2_branch(64,0.1).
 2716p2_sigma(64,0.1).
 2717p2_polarisable(64,0.1).
 2718p2_flex(65,0.1).
 2719p2_pi_doner(65,0.1).
 2720p2_polar(65,0.1).
 2721p2_h_doner(65,0.1).
 2722p2_h_acceptor(65,0.1).
 2723p2_size(65,0.1).
 2724p2_pi_acceptor(65,0.1).
 2725p2_branch(65,0.1).
 2726p2_sigma(65,0.1).
 2727p2_polarisable(65,0.1).
 2728p2_flex(66,0.1).
 2729p2_pi_doner(66,0.1).
 2730p2_polar(66,0.1).
 2731p2_h_doner(66,0.1).
 2732p2_h_acceptor(66,0.1).
 2733p2_size(66,0.1).
 2734p2_pi_acceptor(66,0.1).
 2735p2_branch(66,0.1).
 2736p2_sigma(66,0.1).
 2737p2_polarisable(66,0.1).
 2738p2_flex(67,0.1).
 2739p2_pi_doner(67,0.1).
 2740p2_polar(67,0.1).
 2741p2_h_doner(67,0.1).
 2742p2_h_acceptor(67,0.1).
 2743p2_size(67,0.1).
 2744p2_pi_acceptor(67,0.1).
 2745p2_branch(67,0.1).
 2746p2_sigma(67,0.1).
 2747p2_polarisable(67,0.1).
 2748p2_flex(68,0.1).
 2749p2_pi_doner(68,0.1).
 2750p2_polar(68,0.1).
 2751p2_h_doner(68,0.1).
 2752p2_h_acceptor(68,0.1).
 2753p2_size(68,0.1).
 2754p2_pi_acceptor(68,0.1).
 2755p2_branch(68,0.1).
 2756p2_sigma(68,0.1).
 2757p2_polarisable(68,0.1).
 2758p2_flex(69,0.1).
 2759p2_pi_doner(69,0.1).
 2760p2_polar(69,0.1).
 2761p2_h_doner(69,0.1).
 2762p2_h_acceptor(69,0.1).
 2763p2_size(69,0.1).
 2764p2_pi_acceptor(69,0.1).
 2765p2_branch(69,0.1).
 2766p2_sigma(69,0.1).
 2767p2_polarisable(69,0.1).
 2768p2_flex(70,0.1).
 2769p2_pi_doner(70,0.1).
 2770p2_polar(70,0.1).
 2771p2_h_doner(70,0.1).
 2772p2_h_acceptor(70,0.1).
 2773p2_size(70,0.1).
 2774p2_pi_acceptor(70,0.1).
 2775p2_branch(70,0.1).
 2776p2_sigma(70,0.1).
 2777p2_polarisable(70,0.1).
 2778p2_flex(71,0.1).
 2779p2_pi_doner(71,0.1).
 2780p2_polar(71,0.1).
 2781p2_h_doner(71,0.1).
 2782p2_h_acceptor(71,0.1).
 2783p2_size(71,0.1).
 2784p2_pi_acceptor(71,0.1).
 2785p2_branch(71,0.1).
 2786p2_sigma(71,0.1).
 2787p2_polarisable(71,0.1).
 2788p2_flex(72,0.1).
 2789p2_pi_doner(72,0.1).
 2790p2_polar(72,0.26).
 2791p2_h_doner(72,0.1).
 2792p2_h_acceptor(72,0.1).
 2793p2_size(72,0.1).
 2794p2_pi_acceptor(72,0.1).
 2795p2_branch(72,0.1).
 2796p2_sigma(72,0.1).
 2797p2_polarisable(72,0.1).
 2798p2_flex(73,0.1).
 2799p2_pi_doner(73,0.1).
 2800p2_polar(73,0.26).
 2801p2_h_doner(73,0.1).
 2802p2_h_acceptor(73,0.1).
 2803p2_size(73,0.1).
 2804p2_pi_acceptor(73,0.1).
 2805p2_branch(73,0.1).
 2806p2_sigma(73,0.1).
 2807p2_polarisable(73,0.1).
 2808p2_flex(74,0.1).
 2809p2_pi_doner(74,0.1).
 2810p2_polar(74,0.26).
 2811p2_h_doner(74,0.1).
 2812p2_h_acceptor(74,0.1).
 2813p2_size(74,0.1).
 2814p2_pi_acceptor(74,0.1).
 2815p2_branch(74,0.1).
 2816p2_sigma(74,0.1).
 2817p2_polarisable(74,0.1).
 2818p2_flex(75,0.1).
 2819p2_pi_doner(75,0.1).
 2820p2_polar(75,0.26).
 2821p2_h_doner(75,0.1).
 2822p2_h_acceptor(75,0.1).
 2823p2_size(75,0.1).
 2824p2_pi_acceptor(75,0.1).
 2825p2_branch(75,0.1).
 2826p2_sigma(75,0.1).
 2827p2_polarisable(75,0.1).
 2828p2_flex(76,0.1).
 2829p2_pi_doner(76,0.1).
 2830p2_polar(76,0.26).
 2831p2_h_doner(76,0.1).
 2832p2_h_acceptor(76,0.1).
 2833p2_size(76,0.1).
 2834p2_pi_acceptor(76,0.1).
 2835p2_branch(76,0.1).
 2836p2_sigma(76,0.1).
 2837p2_polarisable(76,0.1).
 2838p2_flex(77,0.1).
 2839p2_pi_doner(77,0.1).
 2840p2_polar(77,0.26).
 2841p2_h_doner(77,0.1).
 2842p2_h_acceptor(77,0.1).
 2843p2_size(77,0.1).
 2844p2_pi_acceptor(77,0.1).
 2845p2_branch(77,0.1).
 2846p2_sigma(77,0.1).
 2847p2_polarisable(77,0.1).
 2848p2_flex(78,0.1).
 2849p2_pi_doner(78,0.1).
 2850p2_polar(78,0.1).
 2851p2_h_doner(78,0.1).
 2852p2_h_acceptor(78,0.1).
 2853p2_size(78,0.1).
 2854p2_pi_acceptor(78,0.1).
 2855p2_branch(78,0.1).
 2856p2_sigma(78,0.1).
 2857p2_polarisable(78,0.1).
 2858p2_flex(79,0.1).
 2859p2_pi_doner(79,0.1).
 2860p2_polar(79,0.1).
 2861p2_h_doner(79,0.1).
 2862p2_h_acceptor(79,0.1).
 2863p2_size(79,0.1).
 2864p2_pi_acceptor(79,0.1).
 2865p2_branch(79,0.1).
 2866p2_sigma(79,0.1).
 2867p2_polarisable(79,0.1).
 2868p2_flex(80,0.1).
 2869p2_pi_doner(80,0.1).
 2870p2_polar(80,0.26).
 2871p2_h_doner(80,0.1).
 2872p2_h_acceptor(80,0.1).
 2873p2_size(80,0.1).
 2874p2_pi_acceptor(80,0.1).
 2875p2_branch(80,0.1).
 2876p2_sigma(80,0.1).
 2877p2_polarisable(80,0.1).
 2878p2_flex(81,0.1).
 2879p2_pi_doner(81,0.1).
 2880p2_polar(81,0.26).
 2881p2_h_doner(81,0.1).
 2882p2_h_acceptor(81,0.1).
 2883p2_size(81,0.1).
 2884p2_pi_acceptor(81,0.1).
 2885p2_branch(81,0.1).
 2886p2_sigma(81,0.1).
 2887p2_polarisable(81,0.1).
 2888p2_flex(82,0.1).
 2889p2_pi_doner(82,0.1).
 2890p2_polar(82,0.26).
 2891p2_h_doner(82,0.1).
 2892p2_h_acceptor(82,0.1).
 2893p2_size(82,0.1).
 2894p2_pi_acceptor(82,0.1).
 2895p2_branch(82,0.1).
 2896p2_sigma(82,0.1).
 2897p2_polarisable(82,0.1).
 2898p2_flex(83,0.1).
 2899p2_pi_doner(83,0.1).
 2900p2_polar(83,0.26).
 2901p2_h_doner(83,0.1).
 2902p2_h_acceptor(83,0.1).
 2903p2_size(83,0.1).
 2904p2_pi_acceptor(83,0.1).
 2905p2_branch(83,0.1).
 2906p2_sigma(83,0.1).
 2907p2_polarisable(83,0.1).
 2908p2_flex(84,0.9).
 2909p2_pi_doner(84,0.9).
 2910p2_polar(84,0.42).
 2911p2_h_doner(84,0.9).
 2912p2_h_acceptor(84,0.9).
 2913p2_size(84,0.9).
 2914p2_pi_acceptor(84,0.1).
 2915p2_branch(84,0.5).
 2916p2_sigma(84,0.367).
 2917p2_polarisable(84,0.5).
 2918p2_flex(85,0.1).
 2919p2_pi_doner(85,0.1).
 2920p2_polar(85,0.58).
 2921p2_h_doner(85,0.1).
 2922p2_h_acceptor(85,0.1).
 2923p2_size(85,0.367).
 2924p2_pi_acceptor(85,0.1).
 2925p2_branch(85,0.1).
 2926p2_sigma(85,0.9).
 2927p2_polarisable(85,0.5).
 2928p2_flex(86,0.1).
 2929p2_pi_doner(86,0.1).
 2930p2_polar(86,0.74).
 2931p2_h_doner(86,0.1).
 2932p2_h_acceptor(86,0.1).
 2933p2_size(86,0.633).
 2934p2_pi_acceptor(86,0.5).
 2935p2_branch(86,0.9).
 2936p2_sigma(86,0.633).
 2937p2_polarisable(86,0.9).
 2938p2_flex(87,0.1).
 2939p2_pi_doner(87,0.1).
 2940p2_polar(87,0.74).
 2941p2_h_doner(87,0.1).
 2942p2_h_acceptor(87,0.1).
 2943p2_size(87,0.633).
 2944p2_pi_acceptor(87,0.5).
 2945p2_branch(87,0.9).
 2946p2_sigma(87,0.633).
 2947p2_polarisable(87,0.9).
 2948p2_flex(88,0.1).
 2949p2_pi_doner(88,0.1).
 2950p2_polar(88,0.1).
 2951p2_h_doner(88,0.1).
 2952p2_h_acceptor(88,0.1).
 2953p2_size(88,0.1).
 2954p2_pi_acceptor(88,0.1).
 2955p2_branch(88,0.1).
 2956p2_sigma(88,0.1).
 2957p2_polarisable(88,0.1).
 2958p2_flex(89,0.1).
 2959p2_pi_doner(89,0.1).
 2960p2_polar(89,0.26).
 2961p2_h_doner(89,0.1).
 2962p2_h_acceptor(89,0.1).
 2963p2_size(89,0.1).
 2964p2_pi_acceptor(89,0.1).
 2965p2_branch(89,0.1).
 2966p2_sigma(89,0.1).
 2967p2_polarisable(89,0.1).
 2968p2_flex(90,0.1).
 2969p2_pi_doner(90,0.1).
 2970p2_polar(90,0.26).
 2971p2_h_doner(90,0.1).
 2972p2_h_acceptor(90,0.1).
 2973p2_size(90,0.1).
 2974p2_pi_acceptor(90,0.1).
 2975p2_branch(90,0.1).
 2976p2_sigma(90,0.1).
 2977p2_polarisable(90,0.1).
 2978p2_flex(91,0.1).
 2979p2_pi_doner(91,0.1).
 2980p2_polar(91,0.1).
 2981p2_h_doner(91,0.1).
 2982p2_h_acceptor(91,0.1).
 2983p2_size(91,0.1).
 2984p2_pi_acceptor(91,0.1).
 2985p2_branch(91,0.1).
 2986p2_sigma(91,0.1).
 2987p2_polarisable(91,0.1).
 2988p2_flex(92,0.1).
 2989p2_pi_doner(92,0.1).
 2990p2_polar(92,0.26).
 2991p2_h_doner(92,0.1).
 2992p2_h_acceptor(92,0.1).
 2993p2_size(92,0.1).
 2994p2_pi_acceptor(92,0.1).
 2995p2_branch(92,0.1).
 2996p2_sigma(92,0.1).
 2997p2_polarisable(92,0.1).
 2998p2_flex(93,0.1).
 2999p2_pi_doner(93,0.1).
 3000p2_polar(93,0.74).
 3001p2_h_doner(93,0.1).
 3002p2_h_acceptor(93,0.1).
 3003p2_size(93,0.633).
 3004p2_pi_acceptor(93,0.5).
 3005p2_branch(93,0.9).
 3006p2_sigma(93,0.633).
 3007p2_polarisable(93,0.9).
 3008p2_flex(94,0.9).
 3009p2_pi_doner(94,0.9).
 3010p2_polar(94,0.42).
 3011p2_h_doner(94,0.9).
 3012p2_h_acceptor(94,0.9).
 3013p2_size(94,0.9).
 3014p2_pi_acceptor(94,0.1).
 3015p2_branch(94,0.5).
 3016p2_sigma(94,0.367).
 3017p2_polarisable(94,0.5).
 3018p2_flex(95,0.1).
 3019p2_pi_doner(95,0.1).
 3020p2_polar(95,0.1).
 3021p2_h_doner(95,0.1).
 3022p2_h_acceptor(95,0.1).
 3023p2_size(95,0.1).
 3024p2_pi_acceptor(95,0.1).
 3025p2_branch(95,0.1).
 3026p2_sigma(95,0.1).
 3027p2_polarisable(95,0.1).
 3028p2_flex(96,0.1).
 3029p2_pi_doner(96,0.1).
 3030p2_polar(96,0.26).
 3031p2_h_doner(96,0.1).
 3032p2_h_acceptor(96,0.1).
 3033p2_size(96,0.1).
 3034p2_pi_acceptor(96,0.1).
 3035p2_branch(96,0.1).
 3036p2_sigma(96,0.1).
 3037p2_polarisable(96,0.1).
 3038p2_flex(97,0.1).
 3039p2_pi_doner(97,0.1).
 3040p2_polar(97,0.26).
 3041p2_h_doner(97,0.1).
 3042p2_h_acceptor(97,0.1).
 3043p2_size(97,0.1).
 3044p2_pi_acceptor(97,0.1).
 3045p2_branch(97,0.1).
 3046p2_sigma(97,0.1).
 3047p2_polarisable(97,0.1).
 3048p2_flex(98,0.1).
 3049p2_pi_doner(98,0.1).
 3050p2_polar(98,0.26).
 3051p2_h_doner(98,0.1).
 3052p2_h_acceptor(98,0.1).
 3053p2_size(98,0.1).
 3054p2_pi_acceptor(98,0.1).
 3055p2_branch(98,0.1).
 3056p2_sigma(98,0.1).
 3057p2_polarisable(98,0.1).
 3058p2_flex(99,0.1).
 3059p2_pi_doner(99,0.1).
 3060p2_polar(99,0.26).
 3061p2_h_doner(99,0.1).
 3062p2_h_acceptor(99,0.1).
 3063p2_size(99,0.1).
 3064p2_pi_acceptor(99,0.1).
 3065p2_branch(99,0.1).
 3066p2_sigma(99,0.1).
 3067p2_polarisable(99,0.1).
 3068p2_flex(100,0.1).
 3069p2_pi_doner(100,0.1).
 3070p2_polar(100,0.26).
 3071p2_h_doner(100,0.1).
 3072p2_h_acceptor(100,0.1).
 3073p2_size(100,0.1).
 3074p2_pi_acceptor(100,0.1).
 3075p2_branch(100,0.1).
 3076p2_sigma(100,0.1).
 3077p2_polarisable(100,0.1).
 3078p2_flex(101,0.1).
 3079p2_pi_doner(101,0.1).
 3080p2_polar(101,0.26).
 3081p2_h_doner(101,0.1).
 3082p2_h_acceptor(101,0.1).
 3083p2_size(101,0.1).
 3084p2_pi_acceptor(101,0.1).
 3085p2_branch(101,0.1).
 3086p2_sigma(101,0.1).
 3087p2_polarisable(101,0.1).
 3088p2_flex(102,0.1).
 3089p2_pi_doner(102,0.1).
 3090p2_polar(102,0.26).
 3091p2_h_doner(102,0.1).
 3092p2_h_acceptor(102,0.1).
 3093p2_size(102,0.1).
 3094p2_pi_acceptor(102,0.1).
 3095p2_branch(102,0.1).
 3096p2_sigma(102,0.1).
 3097p2_polarisable(102,0.1).
 3098p2_flex(103,0.9).
 3099p2_pi_doner(103,0.9).
 3100p2_polar(103,0.42).
 3101p2_h_doner(103,0.9).
 3102p2_h_acceptor(103,0.9).
 3103p2_size(103,0.9).
 3104p2_pi_acceptor(103,0.1).
 3105p2_branch(103,0.5).
 3106p2_sigma(103,0.367).
 3107p2_polarisable(103,0.5).
 3108p2_flex(104,0.1).
 3109p2_pi_doner(104,0.1).
 3110p2_polar(104,0.26).
 3111p2_h_doner(104,0.1).
 3112p2_h_acceptor(104,0.1).
 3113p2_size(104,0.1).
 3114p2_pi_acceptor(104,0.1).
 3115p2_branch(104,0.1).
 3116p2_sigma(104,0.1).
 3117p2_polarisable(104,0.1).
 3118p2_flex(105,0.1).
 3119p2_pi_doner(105,0.1).
 3120p2_polar(105,0.26).
 3121p2_h_doner(105,0.1).
 3122p2_h_acceptor(105,0.1).
 3123p2_size(105,0.1).
 3124p2_pi_acceptor(105,0.1).
 3125p2_branch(105,0.1).
 3126p2_sigma(105,0.1).
 3127p2_polarisable(105,0.1).
 3128p2_flex(106,0.1).
 3129p2_pi_doner(106,0.1).
 3130p2_polar(106,0.26).
 3131p2_h_doner(106,0.1).
 3132p2_h_acceptor(106,0.1).
 3133p2_size(106,0.1).
 3134p2_pi_acceptor(106,0.1).
 3135p2_branch(106,0.1).
 3136p2_sigma(106,0.1).
 3137p2_polarisable(106,0.1).
 3138p2_flex(107,0.9).
 3139p2_pi_doner(107,0.9).
 3140p2_polar(107,0.42).
 3141p2_h_doner(107,0.9).
 3142p2_h_acceptor(107,0.9).
 3143p2_size(107,0.9).
 3144p2_pi_acceptor(107,0.1).
 3145p2_branch(107,0.5).
 3146p2_sigma(107,0.367).
 3147p2_polarisable(107,0.5).
 3148p2_flex(108,0.1).
 3149p2_pi_doner(108,0.1).
 3150p2_polar(108,0.1).
 3151p2_h_doner(108,0.1).
 3152p2_h_acceptor(108,0.1).
 3153p2_size(108,0.1).
 3154p2_pi_acceptor(108,0.1).
 3155p2_branch(108,0.1).
 3156p2_sigma(108,0.1).
 3157p2_polarisable(108,0.1).
 3158p2_flex(109,0.1).
 3159p2_pi_doner(109,0.1).
 3160p2_polar(109,0.26).
 3161p2_h_doner(109,0.1).
 3162p2_h_acceptor(109,0.1).
 3163p2_size(109,0.1).
 3164p2_pi_acceptor(109,0.1).
 3165p2_branch(109,0.1).
 3166p2_sigma(109,0.1).
 3167p2_polarisable(109,0.1).
 3168p2_flex(110,0.1).
 3169p2_pi_doner(110,0.1).
 3170p2_polar(110,0.42).
 3171p2_h_doner(110,0.1).
 3172p2_h_acceptor(110,0.9).
 3173p2_size(110,0.633).
 3174p2_pi_acceptor(110,0.1).
 3175p2_branch(110,0.1).
 3176p2_sigma(110,0.367).
 3177p2_polarisable(110,0.5).
 3178p2_flex(111,0.1).
 3179p2_pi_doner(111,0.1).
 3180p2_polar(111,0.58).
 3181p2_h_doner(111,0.1).
 3182p2_h_acceptor(111,0.1).
 3183p2_size(111,0.367).
 3184p2_pi_acceptor(111,0.1).
 3185p2_branch(111,0.1).
 3186p2_sigma(111,0.9).
 3187p2_polarisable(111,0.5).
 3188p2_flex(112,0.1).
 3189p2_pi_doner(112,0.1).
 3190p2_polar(112,0.74).
 3191p2_h_doner(112,0.1).
 3192p2_h_acceptor(112,0.9).
 3193p2_size(112,0.367).
 3194p2_pi_acceptor(112,0.9).
 3195p2_branch(112,0.1).
 3196p2_sigma(112,0.1).
 3197p2_polarisable(112,0.9).
 3198p2_flex(113,0.1).
 3199p2_pi_doner(113,0.1).
 3200p2_polar(113,0.74).
 3201p2_h_doner(113,0.1).
 3202p2_h_acceptor(113,0.1).
 3203p2_size(113,0.633).
 3204p2_pi_acceptor(113,0.5).
 3205p2_branch(113,0.9).
 3206p2_sigma(113,0.633).
 3207p2_polarisable(113,0.9).
 3208p2_flex(114,0.1).
 3209p2_pi_doner(114,0.1).
 3210p2_polar(114,0.9).
 3211p2_h_doner(114,0.1).
 3212p2_h_acceptor(114,0.1).
 3213p2_size(114,0.633).
 3214p2_pi_acceptor(114,0.9).
 3215p2_branch(114,0.5).
 3216p2_sigma(114,0.9).
 3217p2_polarisable(114,0.1).
 3218p2_flex(115,0.1).
 3219p2_pi_doner(115,0.1).
 3220p2_polar(115,0.1).
 3221p2_h_doner(115,0.1).
 3222p2_h_acceptor(115,0.1).
 3223p2_size(115,0.1).
 3224p2_pi_acceptor(115,0.1).
 3225p2_branch(115,0.1).
 3226p2_sigma(115,0.1).
 3227p2_polarisable(115,0.1).
 3228p2_flex(116,0.1).
 3229p2_pi_doner(116,0.1).
 3230p2_polar(116,0.26).
 3231p2_h_doner(116,0.1).
 3232p2_h_acceptor(116,0.1).
 3233p2_size(116,0.1).
 3234p2_pi_acceptor(116,0.1).
 3235p2_branch(116,0.1).
 3236p2_sigma(116,0.1).
 3237p2_polarisable(116,0.1).
 3238p2_flex(117,0.1).
 3239p2_pi_doner(117,0.1).
 3240p2_polar(117,0.26).
 3241p2_h_doner(117,0.1).
 3242p2_h_acceptor(117,0.1).
 3243p2_size(117,0.1).
 3244p2_pi_acceptor(117,0.1).
 3245p2_branch(117,0.1).
 3246p2_sigma(117,0.1).
 3247p2_polarisable(117,0.1).
 3248p2_flex(118,0.1).
 3249p2_pi_doner(118,0.1).
 3250p2_polar(118,0.26).
 3251p2_h_doner(118,0.1).
 3252p2_h_acceptor(118,0.1).
 3253p2_size(118,0.1).
 3254p2_pi_acceptor(118,0.1).
 3255p2_branch(118,0.1).
 3256p2_sigma(118,0.1).
 3257p2_polarisable(118,0.1).
 3258p2_flex(119,0.1).
 3259p2_pi_doner(119,0.1).
 3260p2_polar(119,0.1).
 3261p2_h_doner(119,0.1).
 3262p2_h_acceptor(119,0.1).
 3263p2_size(119,0.1).
 3264p2_pi_acceptor(119,0.1).
 3265p2_branch(119,0.1).
 3266p2_sigma(119,0.1).
 3267p2_polarisable(119,0.1).
 3268p2_flex(120,0.1).
 3269p2_pi_doner(120,0.1).
 3270p2_polar(120,0.26).
 3271p2_h_doner(120,0.1).
 3272p2_h_acceptor(120,0.1).
 3273p2_size(120,0.1).
 3274p2_pi_acceptor(120,0.1).
 3275p2_branch(120,0.1).
 3276p2_sigma(120,0.1).
 3277p2_polarisable(120,0.1).
 3278p2_flex(121,0.1).
 3279p2_pi_doner(121,0.1).
 3280p2_polar(121,0.1).
 3281p2_h_doner(121,0.1).
 3282p2_h_acceptor(121,0.1).
 3283p2_size(121,0.1).
 3284p2_pi_acceptor(121,0.1).
 3285p2_branch(121,0.1).
 3286p2_sigma(121,0.1).
 3287p2_polarisable(121,0.1).
 3288p2_flex(122,0.1).
 3289p2_pi_doner(122,0.1).
 3290p2_polar(122,0.1).
 3291p2_h_doner(122,0.1).
 3292p2_h_acceptor(122,0.1).
 3293p2_size(122,0.1).
 3294p2_pi_acceptor(122,0.1).
 3295p2_branch(122,0.1).
 3296p2_sigma(122,0.1).
 3297p2_polarisable(122,0.1).
 3298p2_flex(123,0.1).
 3299p2_pi_doner(123,0.1).
 3300p2_polar(123,0.26).
 3301p2_h_doner(123,0.1).
 3302p2_h_acceptor(123,0.1).
 3303p2_size(123,0.1).
 3304p2_pi_acceptor(123,0.1).
 3305p2_branch(123,0.1).
 3306p2_sigma(123,0.1).
 3307p2_polarisable(123,0.1).
 3308p2_flex(124,0.1).
 3309p2_pi_doner(124,0.1).
 3310p2_polar(124,0.1).
 3311p2_h_doner(124,0.1).
 3312p2_h_acceptor(124,0.1).
 3313p2_size(124,0.1).
 3314p2_pi_acceptor(124,0.1).
 3315p2_branch(124,0.1).
 3316p2_sigma(124,0.1).
 3317p2_polarisable(124,0.1).
 3318p2_flex(125,0.1).
 3319p2_pi_doner(125,0.1).
 3320p2_polar(125,0.1).
 3321p2_h_doner(125,0.1).
 3322p2_h_acceptor(125,0.1).
 3323p2_size(125,0.1).
 3324p2_pi_acceptor(125,0.1).
 3325p2_branch(125,0.1).
 3326p2_sigma(125,0.1).
 3327p2_polarisable(125,0.1).
 3328p2_flex(126,0.1).
 3329p2_pi_doner(126,0.1).
 3330p2_polar(126,0.1).
 3331p2_h_doner(126,0.1).
 3332p2_h_acceptor(126,0.1).
 3333p2_size(126,0.1).
 3334p2_pi_acceptor(126,0.1).
 3335p2_branch(126,0.1).
 3336p2_sigma(126,0.1).
 3337p2_polarisable(126,0.1).
 3338p2_flex(127,0.1).
 3339p2_pi_doner(127,0.1).
 3340p2_polar(127,0.1).
 3341p2_h_doner(127,0.1).
 3342p2_h_acceptor(127,0.1).
 3343p2_size(127,0.1).
 3344p2_pi_acceptor(127,0.1).
 3345p2_branch(127,0.1).
 3346p2_sigma(127,0.1).
 3347p2_polarisable(127,0.1).
 3348p2_flex(128,0.1).
 3349p2_pi_doner(128,0.1).
 3350p2_polar(128,0.1).
 3351p2_h_doner(128,0.1).
 3352p2_h_acceptor(128,0.1).
 3353p2_size(128,0.1).
 3354p2_pi_acceptor(128,0.1).
 3355p2_branch(128,0.1).
 3356p2_sigma(128,0.1).
 3357p2_polarisable(128,0.1).
 3358p2_flex(129,0.1).
 3359p2_pi_doner(129,0.1).
 3360p2_polar(129,0.1).
 3361p2_h_doner(129,0.1).
 3362p2_h_acceptor(129,0.1).
 3363p2_size(129,0.1).
 3364p2_pi_acceptor(129,0.1).
 3365p2_branch(129,0.1).
 3366p2_sigma(129,0.1).
 3367p2_polarisable(129,0.1).
 3368p2_flex(130,0.1).
 3369p2_pi_doner(130,0.1).
 3370p2_polar(130,0.1).
 3371p2_h_doner(130,0.1).
 3372p2_h_acceptor(130,0.1).
 3373p2_size(130,0.1).
 3374p2_pi_acceptor(130,0.1).
 3375p2_branch(130,0.1).
 3376p2_sigma(130,0.1).
 3377p2_polarisable(130,0.1).
 3378p2_flex(131,0.1).
 3379p2_pi_doner(131,0.1).
 3380p2_polar(131,0.1).
 3381p2_h_doner(131,0.1).
 3382p2_h_acceptor(131,0.1).
 3383p2_size(131,0.1).
 3384p2_pi_acceptor(131,0.1).
 3385p2_branch(131,0.1).
 3386p2_sigma(131,0.1).
 3387p2_polarisable(131,0.1).
 3388p2_flex(132,0.1).
 3389p2_pi_doner(132,0.1).
 3390p2_polar(132,0.1).
 3391p2_h_doner(132,0.1).
 3392p2_h_acceptor(132,0.1).
 3393p2_size(132,0.1).
 3394p2_pi_acceptor(132,0.1).
 3395p2_branch(132,0.1).
 3396p2_sigma(132,0.1).
 3397p2_polarisable(132,0.1).
 3398p2_flex(133,0.1).
 3399p2_pi_doner(133,0.1).
 3400p2_polar(133,0.1).
 3401p2_h_doner(133,0.1).
 3402p2_h_acceptor(133,0.1).
 3403p2_size(133,0.1).
 3404p2_pi_acceptor(133,0.1).
 3405p2_branch(133,0.1).
 3406p2_sigma(133,0.1).
 3407p2_polarisable(133,0.1).
 3408p2_flex(134,0.1).
 3409p2_pi_doner(134,0.1).
 3410p2_polar(134,0.1).
 3411p2_h_doner(134,0.1).
 3412p2_h_acceptor(134,0.1).
 3413p2_size(134,0.1).
 3414p2_pi_acceptor(134,0.1).
 3415p2_branch(134,0.1).
 3416p2_sigma(134,0.1).
 3417p2_polarisable(134,0.1).
 3418p2_flex(135,0.1).
 3419p2_pi_doner(135,0.1).
 3420p2_polar(135,0.1).
 3421p2_h_doner(135,0.1).
 3422p2_h_acceptor(135,0.1).
 3423p2_size(135,0.1).
 3424p2_pi_acceptor(135,0.1).
 3425p2_branch(135,0.1).
 3426p2_sigma(135,0.1).
 3427p2_polarisable(135,0.1).
 3428p2_flex(136,0.1).
 3429p2_pi_doner(136,0.1).
 3430p2_polar(136,0.1).
 3431p2_h_doner(136,0.1).
 3432p2_h_acceptor(136,0.1).
 3433p2_size(136,0.1).
 3434p2_pi_acceptor(136,0.1).
 3435p2_branch(136,0.1).
 3436p2_sigma(136,0.1).
 3437p2_polarisable(136,0.1).
 3438p2_flex(137,0.1).
 3439p2_pi_doner(137,0.1).
 3440p2_polar(137,0.1).
 3441p2_h_doner(137,0.1).
 3442p2_h_acceptor(137,0.1).
 3443p2_size(137,0.1).
 3444p2_pi_acceptor(137,0.1).
 3445p2_branch(137,0.1).
 3446p2_sigma(137,0.1).
 3447p2_polarisable(137,0.1).
 3448p2_flex(138,0.1).
 3449p2_pi_doner(138,0.1).
 3450p2_polar(138,0.1).
 3451p2_h_doner(138,0.1).
 3452p2_h_acceptor(138,0.1).
 3453p2_size(138,0.1).
 3454p2_pi_acceptor(138,0.1).
 3455p2_branch(138,0.1).
 3456p2_sigma(138,0.1).
 3457p2_polarisable(138,0.1).
 3458p2_flex(139,0.1).
 3459p2_pi_doner(139,0.1).
 3460p2_polar(139,0.1).
 3461p2_h_doner(139,0.1).
 3462p2_h_acceptor(139,0.1).
 3463p2_size(139,0.1).
 3464p2_pi_acceptor(139,0.1).
 3465p2_branch(139,0.1).
 3466p2_sigma(139,0.1).
 3467p2_polarisable(139,0.1).
 3468p2_flex(140,0.1).
 3469p2_pi_doner(140,0.1).
 3470p2_polar(140,0.1).
 3471p2_h_doner(140,0.1).
 3472p2_h_acceptor(140,0.1).
 3473p2_size(140,0.1).
 3474p2_pi_acceptor(140,0.1).
 3475p2_branch(140,0.1).
 3476p2_sigma(140,0.1).
 3477p2_polarisable(140,0.1).
 3478p2_flex(141,0.1).
 3479p2_pi_doner(141,0.1).
 3480p2_polar(141,0.1).
 3481p2_h_doner(141,0.1).
 3482p2_h_acceptor(141,0.1).
 3483p2_size(141,0.1).
 3484p2_pi_acceptor(141,0.1).
 3485p2_branch(141,0.1).
 3486p2_sigma(141,0.1).
 3487p2_polarisable(141,0.1).
 3488p2_flex(142,0.1).
 3489p2_pi_doner(142,0.1).
 3490p2_polar(142,0.1).
 3491p2_h_doner(142,0.1).
 3492p2_h_acceptor(142,0.1).
 3493p2_size(142,0.1).
 3494p2_pi_acceptor(142,0.1).
 3495p2_branch(142,0.1).
 3496p2_sigma(142,0.1).
 3497p2_polarisable(142,0.1).
 3498p2_flex(143,0.1).
 3499p2_pi_doner(143,0.1).
 3500p2_polar(143,0.1).
 3501p2_h_doner(143,0.1).
 3502p2_h_acceptor(143,0.1).
 3503p2_size(143,0.1).
 3504p2_pi_acceptor(143,0.1).
 3505p2_branch(143,0.1).
 3506p2_sigma(143,0.1).
 3507p2_polarisable(143,0.1).
 3508p2_flex(144,0.1).
 3509p2_pi_doner(144,0.1).
 3510p2_polar(144,0.1).
 3511p2_h_doner(144,0.1).
 3512p2_h_acceptor(144,0.1).
 3513p2_size(144,0.1).
 3514p2_pi_acceptor(144,0.1).
 3515p2_branch(144,0.1).
 3516p2_sigma(144,0.1).
 3517p2_polarisable(144,0.1).
 3518p2_flex(145,0.1).
 3519p2_pi_doner(145,0.1).
 3520p2_polar(145,0.1).
 3521p2_h_doner(145,0.1).
 3522p2_h_acceptor(145,0.1).
 3523p2_size(145,0.1).
 3524p2_pi_acceptor(145,0.1).
 3525p2_branch(145,0.1).
 3526p2_sigma(145,0.1).
 3527p2_polarisable(145,0.1).
 3528p2_flex(146,0.1).
 3529p2_pi_doner(146,0.1).
 3530p2_polar(146,0.1).
 3531p2_h_doner(146,0.1).
 3532p2_h_acceptor(146,0.1).
 3533p2_size(146,0.1).
 3534p2_pi_acceptor(146,0.1).
 3535p2_branch(146,0.1).
 3536p2_sigma(146,0.1).
 3537p2_polarisable(146,0.1).
 3538p2_flex(147,0.1).
 3539p2_pi_doner(147,0.1).
 3540p2_polar(147,0.1).
 3541p2_h_doner(147,0.1).
 3542p2_h_acceptor(147,0.1).
 3543p2_size(147,0.1).
 3544p2_pi_acceptor(147,0.1).
 3545p2_branch(147,0.1).
 3546p2_sigma(147,0.1).
 3547p2_polarisable(147,0.1).
 3548p2_flex(148,0.1).
 3549p2_pi_doner(148,0.1).
 3550p2_polar(148,0.1).
 3551p2_h_doner(148,0.1).
 3552p2_h_acceptor(148,0.1).
 3553p2_size(148,0.1).
 3554p2_pi_acceptor(148,0.1).
 3555p2_branch(148,0.1).
 3556p2_sigma(148,0.1).
 3557p2_polarisable(148,0.1).
 3558p2_flex(149,0.1).
 3559p2_pi_doner(149,0.1).
 3560p2_polar(149,0.1).
 3561p2_h_doner(149,0.1).
 3562p2_h_acceptor(149,0.1).
 3563p2_size(149,0.1).
 3564p2_pi_acceptor(149,0.1).
 3565p2_branch(149,0.1).
 3566p2_sigma(149,0.1).
 3567p2_polarisable(149,0.1).
 3568p2_flex(150,0.1).
 3569p2_pi_doner(150,0.1).
 3570p2_polar(150,0.1).
 3571p2_h_doner(150,0.1).
 3572p2_h_acceptor(150,0.1).
 3573p2_size(150,0.1).
 3574p2_pi_acceptor(150,0.1).
 3575p2_branch(150,0.1).
 3576p2_sigma(150,0.1).
 3577p2_polarisable(150,0.1).
 3578p2_flex(151,0.1).
 3579p2_pi_doner(151,0.1).
 3580p2_polar(151,0.1).
 3581p2_h_doner(151,0.1).
 3582p2_h_acceptor(151,0.1).
 3583p2_size(151,0.1).
 3584p2_pi_acceptor(151,0.1).
 3585p2_branch(151,0.1).
 3586p2_sigma(151,0.1).
 3587p2_polarisable(151,0.1).
 3588p2_flex(152,0.1).
 3589p2_pi_doner(152,0.1).
 3590p2_polar(152,0.1).
 3591p2_h_doner(152,0.1).
 3592p2_h_acceptor(152,0.1).
 3593p2_size(152,0.1).
 3594p2_pi_acceptor(152,0.1).
 3595p2_branch(152,0.1).
 3596p2_sigma(152,0.1).
 3597p2_polarisable(152,0.1).
 3598p2_flex(153,0.1).
 3599p2_pi_doner(153,0.1).
 3600p2_polar(153,0.1).
 3601p2_h_doner(153,0.1).
 3602p2_h_acceptor(153,0.1).
 3603p2_size(153,0.1).
 3604p2_pi_acceptor(153,0.1).
 3605p2_branch(153,0.1).
 3606p2_sigma(153,0.1).
 3607p2_polarisable(153,0.1).
 3608p2_flex(154,0.1).
 3609p2_pi_doner(154,0.1).
 3610p2_polar(154,0.1).
 3611p2_h_doner(154,0.1).
 3612p2_h_acceptor(154,0.1).
 3613p2_size(154,0.1).
 3614p2_pi_acceptor(154,0.1).
 3615p2_branch(154,0.1).
 3616p2_sigma(154,0.1).
 3617p2_polarisable(154,0.1).
 3618p2_flex(155,0.1).
 3619p2_pi_doner(155,0.1).
 3620p2_polar(155,0.1).
 3621p2_h_doner(155,0.1).
 3622p2_h_acceptor(155,0.1).
 3623p2_size(155,0.1).
 3624p2_pi_acceptor(155,0.1).
 3625p2_branch(155,0.1).
 3626p2_sigma(155,0.1).
 3627p2_polarisable(155,0.1).
 3628p2_flex(156,0.1).
 3629p2_pi_doner(156,0.1).
 3630p2_polar(156,0.1).
 3631p2_h_doner(156,0.1).
 3632p2_h_acceptor(156,0.1).
 3633p2_size(156,0.1).
 3634p2_pi_acceptor(156,0.1).
 3635p2_branch(156,0.1).
 3636p2_sigma(156,0.1).
 3637p2_polarisable(156,0.1).
 3638p2_flex(157,0.1).
 3639p2_pi_doner(157,0.1).
 3640p2_polar(157,0.1).
 3641p2_h_doner(157,0.1).
 3642p2_h_acceptor(157,0.1).
 3643p2_size(157,0.1).
 3644p2_pi_acceptor(157,0.1).
 3645p2_branch(157,0.1).
 3646p2_sigma(157,0.1).
 3647p2_polarisable(157,0.1).
 3648p2_flex(158,0.1).
 3649p2_pi_doner(158,0.1).
 3650p2_polar(158,0.1).
 3651p2_h_doner(158,0.1).
 3652p2_h_acceptor(158,0.1).
 3653p2_size(158,0.1).
 3654p2_pi_acceptor(158,0.1).
 3655p2_branch(158,0.1).
 3656p2_sigma(158,0.1).
 3657p2_polarisable(158,0.1).
 3658p2_flex(159,0.1).
 3659p2_pi_doner(159,0.1).
 3660p2_polar(159,0.1).
 3661p2_h_doner(159,0.1).
 3662p2_h_acceptor(159,0.1).
 3663p2_size(159,0.1).
 3664p2_pi_acceptor(159,0.1).
 3665p2_branch(159,0.1).
 3666p2_sigma(159,0.1).
 3667p2_polarisable(159,0.1).
 3668p2_flex(160,0.1).
 3669p2_pi_doner(160,0.1).
 3670p2_polar(160,0.1).
 3671p2_h_doner(160,0.1).
 3672p2_h_acceptor(160,0.1).
 3673p2_size(160,0.1).
 3674p2_pi_acceptor(160,0.1).
 3675p2_branch(160,0.1).
 3676p2_sigma(160,0.1).
 3677p2_polarisable(160,0.1).
 3678p2_flex(161,0.1).
 3679p2_pi_doner(161,0.1).
 3680p2_polar(161,0.1).
 3681p2_h_doner(161,0.1).
 3682p2_h_acceptor(161,0.1).
 3683p2_size(161,0.1).
 3684p2_pi_acceptor(161,0.1).
 3685p2_branch(161,0.1).
 3686p2_sigma(161,0.1).
 3687p2_polarisable(161,0.1).
 3688p2_flex(162,0.1).
 3689p2_pi_doner(162,0.1).
 3690p2_polar(162,0.1).
 3691p2_h_doner(162,0.1).
 3692p2_h_acceptor(162,0.1).
 3693p2_size(162,0.1).
 3694p2_pi_acceptor(162,0.1).
 3695p2_branch(162,0.1).
 3696p2_sigma(162,0.1).
 3697p2_polarisable(162,0.1).
 3698p2_flex(163,0.1).
 3699p2_pi_doner(163,0.1).
 3700p2_polar(163,0.1).
 3701p2_h_doner(163,0.1).
 3702p2_h_acceptor(163,0.1).
 3703p2_size(163,0.1).
 3704p2_pi_acceptor(163,0.1).
 3705p2_branch(163,0.1).
 3706p2_sigma(163,0.1).
 3707p2_polarisable(163,0.1).
 3708p2_flex(164,0.1).
 3709p2_pi_doner(164,0.1).
 3710p2_polar(164,0.1).
 3711p2_h_doner(164,0.1).
 3712p2_h_acceptor(164,0.1).
 3713p2_size(164,0.1).
 3714p2_pi_acceptor(164,0.1).
 3715p2_branch(164,0.1).
 3716p2_sigma(164,0.1).
 3717p2_polarisable(164,0.1).
 3718p2_flex(165,0.1).
 3719p2_pi_doner(165,0.1).
 3720p2_polar(165,0.1).
 3721p2_h_doner(165,0.1).
 3722p2_h_acceptor(165,0.1).
 3723p2_size(165,0.1).
 3724p2_pi_acceptor(165,0.1).
 3725p2_branch(165,0.1).
 3726p2_sigma(165,0.1).
 3727p2_polarisable(165,0.1).
 3728p2_flex(166,0.1).
 3729p2_pi_doner(166,0.1).
 3730p2_polar(166,0.1).
 3731p2_h_doner(166,0.1).
 3732p2_h_acceptor(166,0.1).
 3733p2_size(166,0.1).
 3734p2_pi_acceptor(166,0.1).
 3735p2_branch(166,0.1).
 3736p2_sigma(166,0.1).
 3737p2_polarisable(166,0.1).
 3738p2_flex(167,0.1).
 3739p2_pi_doner(167,0.1).
 3740p2_polar(167,0.1).
 3741p2_h_doner(167,0.1).
 3742p2_h_acceptor(167,0.1).
 3743p2_size(167,0.1).
 3744p2_pi_acceptor(167,0.1).
 3745p2_branch(167,0.1).
 3746p2_sigma(167,0.1).
 3747p2_polarisable(167,0.1).
 3748p2_flex(168,0.1).
 3749p2_pi_doner(168,0.1).
 3750p2_polar(168,0.1).
 3751p2_h_doner(168,0.1).
 3752p2_h_acceptor(168,0.1).
 3753p2_size(168,0.1).
 3754p2_pi_acceptor(168,0.1).
 3755p2_branch(168,0.1).
 3756p2_sigma(168,0.1).
 3757p2_polarisable(168,0.1).
 3758p2_flex(169,0.1).
 3759p2_pi_doner(169,0.1).
 3760p2_polar(169,0.1).
 3761p2_h_doner(169,0.1).
 3762p2_h_acceptor(169,0.1).
 3763p2_size(169,0.1).
 3764p2_pi_acceptor(169,0.1).
 3765p2_branch(169,0.1).
 3766p2_sigma(169,0.1).
 3767p2_polarisable(169,0.1).
 3768p2_flex(170,0.1).
 3769p2_pi_doner(170,0.1).
 3770p2_polar(170,0.1).
 3771p2_h_doner(170,0.1).
 3772p2_h_acceptor(170,0.1).
 3773p2_size(170,0.1).
 3774p2_pi_acceptor(170,0.1).
 3775p2_branch(170,0.1).
 3776p2_sigma(170,0.1).
 3777p2_polarisable(170,0.1).
 3778p2_flex(171,0.1).
 3779p2_pi_doner(171,0.1).
 3780p2_polar(171,0.1).
 3781p2_h_doner(171,0.1).
 3782p2_h_acceptor(171,0.1).
 3783p2_size(171,0.1).
 3784p2_pi_acceptor(171,0.1).
 3785p2_branch(171,0.1).
 3786p2_sigma(171,0.1).
 3787p2_polarisable(171,0.1).
 3788p2_flex(172,0.1).
 3789p2_pi_doner(172,0.1).
 3790p2_polar(172,0.1).
 3791p2_h_doner(172,0.1).
 3792p2_h_acceptor(172,0.1).
 3793p2_size(172,0.1).
 3794p2_pi_acceptor(172,0.1).
 3795p2_branch(172,0.1).
 3796p2_sigma(172,0.1).
 3797p2_polarisable(172,0.1).
 3798p2_flex(173,0.1).
 3799p2_pi_doner(173,0.1).
 3800p2_polar(173,0.1).
 3801p2_h_doner(173,0.1).
 3802p2_h_acceptor(173,0.1).
 3803p2_size(173,0.1).
 3804p2_pi_acceptor(173,0.1).
 3805p2_branch(173,0.1).
 3806p2_sigma(173,0.1).
 3807p2_polarisable(173,0.1).
 3808p2_flex(174,0.1).
 3809p2_pi_doner(174,0.1).
 3810p2_polar(174,0.1).
 3811p2_h_doner(174,0.1).
 3812p2_h_acceptor(174,0.1).
 3813p2_size(174,0.1).
 3814p2_pi_acceptor(174,0.1).
 3815p2_branch(174,0.1).
 3816p2_sigma(174,0.1).
 3817p2_polarisable(174,0.1).
 3818p2_flex(175,0.1).
 3819p2_pi_doner(175,0.1).
 3820p2_polar(175,0.1).
 3821p2_h_doner(175,0.1).
 3822p2_h_acceptor(175,0.1).
 3823p2_size(175,0.1).
 3824p2_pi_acceptor(175,0.1).
 3825p2_branch(175,0.1).
 3826p2_sigma(175,0.1).
 3827p2_polarisable(175,0.1).
 3828p2_flex(176,0.1).
 3829p2_pi_doner(176,0.1).
 3830p2_polar(176,0.1).
 3831p2_h_doner(176,0.1).
 3832p2_h_acceptor(176,0.1).
 3833p2_size(176,0.1).
 3834p2_pi_acceptor(176,0.1).
 3835p2_branch(176,0.1).
 3836p2_sigma(176,0.1).
 3837p2_polarisable(176,0.1).
 3838p2_flex(177,0.1).
 3839p2_pi_doner(177,0.1).
 3840p2_polar(177,0.1).
 3841p2_h_doner(177,0.1).
 3842p2_h_acceptor(177,0.1).
 3843p2_size(177,0.1).
 3844p2_pi_acceptor(177,0.1).
 3845p2_branch(177,0.1).
 3846p2_sigma(177,0.1).
 3847p2_polarisable(177,0.1).
 3848p2_flex(178,0.1).
 3849p2_pi_doner(178,0.1).
 3850p2_polar(178,0.1).
 3851p2_h_doner(178,0.1).
 3852p2_h_acceptor(178,0.1).
 3853p2_size(178,0.1).
 3854p2_pi_acceptor(178,0.1).
 3855p2_branch(178,0.1).
 3856p2_sigma(178,0.1).
 3857p2_polarisable(178,0.1).
 3858p2_flex(179,0.1).
 3859p2_pi_doner(179,0.1).
 3860p2_polar(179,0.1).
 3861p2_h_doner(179,0.1).
 3862p2_h_acceptor(179,0.1).
 3863p2_size(179,0.1).
 3864p2_pi_acceptor(179,0.1).
 3865p2_branch(179,0.1).
 3866p2_sigma(179,0.1).
 3867p2_polarisable(179,0.1).
 3868p2_flex(180,0.1).
 3869p2_pi_doner(180,0.1).
 3870p2_polar(180,0.1).
 3871p2_h_doner(180,0.1).
 3872p2_h_acceptor(180,0.1).
 3873p2_size(180,0.1).
 3874p2_pi_acceptor(180,0.1).
 3875p2_branch(180,0.1).
 3876p2_sigma(180,0.1).
 3877p2_polarisable(180,0.1).
 3878p2_flex(181,0.1).
 3879p2_pi_doner(181,0.1).
 3880p2_polar(181,0.1).
 3881p2_h_doner(181,0.1).
 3882p2_h_acceptor(181,0.1).
 3883p2_size(181,0.1).
 3884p2_pi_acceptor(181,0.1).
 3885p2_branch(181,0.1).
 3886p2_sigma(181,0.1).
 3887p2_polarisable(181,0.1).
 3888p2_flex(182,0.1).
 3889p2_pi_doner(182,0.1).
 3890p2_polar(182,0.1).
 3891p2_h_doner(182,0.1).
 3892p2_h_acceptor(182,0.1).
 3893p2_size(182,0.1).
 3894p2_pi_acceptor(182,0.1).
 3895p2_branch(182,0.1).
 3896p2_sigma(182,0.1).
 3897p2_polarisable(182,0.1).
 3898p2_flex(183,0.1).
 3899p2_pi_doner(183,0.1).
 3900p2_polar(183,0.1).
 3901p2_h_doner(183,0.1).
 3902p2_h_acceptor(183,0.1).
 3903p2_size(183,0.1).
 3904p2_pi_acceptor(183,0.1).
 3905p2_branch(183,0.1).
 3906p2_sigma(183,0.1).
 3907p2_polarisable(183,0.1).
 3908p2_flex(184,0.1).
 3909p2_pi_doner(184,0.1).
 3910p2_polar(184,0.58).
 3911p2_h_doner(184,0.1).
 3912p2_h_acceptor(184,0.9).
 3913p2_size(184,0.9).
 3914p2_pi_acceptor(184,0.5).
 3915p2_branch(184,0.9).
 3916p2_sigma(184,0.1).
 3917p2_polarisable(184,0.5).
 3918p2_flex(185,0.1).
 3919p2_pi_doner(185,0.1).
 3920p2_polar(185,0.1).
 3921p2_h_doner(185,0.1).
 3922p2_h_acceptor(185,0.1).
 3923p2_size(185,0.1).
 3924p2_pi_acceptor(185,0.1).
 3925p2_branch(185,0.1).
 3926p2_sigma(185,0.1).
 3927p2_polarisable(185,0.1).
 3928p2_flex(186,0.1).
 3929p2_pi_doner(186,0.1).
 3930p2_polar(186,0.1).
 3931p2_h_doner(186,0.1).
 3932p2_h_acceptor(186,0.1).
 3933p2_size(186,0.1).
 3934p2_pi_acceptor(186,0.1).
 3935p2_branch(186,0.1).
 3936p2_sigma(186,0.1).
 3937p2_polarisable(186,0.1).
 3938p3_flex(1,0.1).
 3939p3_pi_doner(1,0.1).
 3940p3_polar(1,0.1).
 3941p3_h_doner(1,0.1).
 3942p3_h_acceptor(1,0.1).
 3943p3_size(1,0.1).
 3944p3_pi_acceptor(1,0.1).
 3945p3_branch(1,0.1).
 3946p3_sigma(1,0.1).
 3947p3_polarisable(1,0.1).
 3948p3_flex(2,0.1).
 3949p3_pi_doner(2,0.1).
 3950p3_polar(2,0.1).
 3951p3_h_doner(2,0.1).
 3952p3_h_acceptor(2,0.1).
 3953p3_size(2,0.1).
 3954p3_pi_acceptor(2,0.1).
 3955p3_branch(2,0.1).
 3956p3_sigma(2,0.1).
 3957p3_polarisable(2,0.1).
 3958p3_flex(3,0.1).
 3959p3_pi_doner(3,0.1).
 3960p3_polar(3,0.1).
 3961p3_h_doner(3,0.1).
 3962p3_h_acceptor(3,0.1).
 3963p3_size(3,0.1).
 3964p3_pi_acceptor(3,0.1).
 3965p3_branch(3,0.1).
 3966p3_sigma(3,0.1).
 3967p3_polarisable(3,0.1).
 3968p3_flex(4,0.1).
 3969p3_pi_doner(4,0.1).
 3970p3_polar(4,0.1).
 3971p3_h_doner(4,0.1).
 3972p3_h_acceptor(4,0.1).
 3973p3_size(4,0.1).
 3974p3_pi_acceptor(4,0.1).
 3975p3_branch(4,0.1).
 3976p3_sigma(4,0.1).
 3977p3_polarisable(4,0.1).
 3978p3_flex(5,0.1).
 3979p3_pi_doner(5,0.1).
 3980p3_polar(5,0.1).
 3981p3_h_doner(5,0.1).
 3982p3_h_acceptor(5,0.1).
 3983p3_size(5,0.1).
 3984p3_pi_acceptor(5,0.1).
 3985p3_branch(5,0.1).
 3986p3_sigma(5,0.1).
 3987p3_polarisable(5,0.1).
 3988p3_flex(6,0.1).
 3989p3_pi_doner(6,0.1).
 3990p3_polar(6,0.1).
 3991p3_h_doner(6,0.1).
 3992p3_h_acceptor(6,0.1).
 3993p3_size(6,0.1).
 3994p3_pi_acceptor(6,0.1).
 3995p3_branch(6,0.1).
 3996p3_sigma(6,0.1).
 3997p3_polarisable(6,0.1).
 3998p3_flex(7,0.1).
 3999p3_pi_doner(7,0.1).
 4000p3_polar(7,0.1).
 4001p3_h_doner(7,0.1).
 4002p3_h_acceptor(7,0.1).
 4003p3_size(7,0.1).
 4004p3_pi_acceptor(7,0.1).
 4005p3_branch(7,0.1).
 4006p3_sigma(7,0.1).
 4007p3_polarisable(7,0.1).
 4008p3_flex(8,0.1).
 4009p3_pi_doner(8,0.1).
 4010p3_polar(8,0.1).
 4011p3_h_doner(8,0.1).
 4012p3_h_acceptor(8,0.1).
 4013p3_size(8,0.1).
 4014p3_pi_acceptor(8,0.1).
 4015p3_branch(8,0.1).
 4016p3_sigma(8,0.1).
 4017p3_polarisable(8,0.1).
 4018p3_flex(9,0.1).
 4019p3_pi_doner(9,0.1).
 4020p3_polar(9,0.1).
 4021p3_h_doner(9,0.1).
 4022p3_h_acceptor(9,0.1).
 4023p3_size(9,0.1).
 4024p3_pi_acceptor(9,0.1).
 4025p3_branch(9,0.1).
 4026p3_sigma(9,0.1).
 4027p3_polarisable(9,0.1).
 4028p3_flex(10,0.1).
 4029p3_pi_doner(10,0.1).
 4030p3_polar(10,0.1).
 4031p3_h_doner(10,0.1).
 4032p3_h_acceptor(10,0.1).
 4033p3_size(10,0.1).
 4034p3_pi_acceptor(10,0.1).
 4035p3_branch(10,0.1).
 4036p3_sigma(10,0.1).
 4037p3_polarisable(10,0.1).
 4038p3_flex(11,0.1).
 4039p3_pi_doner(11,0.1).
 4040p3_polar(11,0.1).
 4041p3_h_doner(11,0.1).
 4042p3_h_acceptor(11,0.1).
 4043p3_size(11,0.1).
 4044p3_pi_acceptor(11,0.1).
 4045p3_branch(11,0.1).
 4046p3_sigma(11,0.1).
 4047p3_polarisable(11,0.1).
 4048p3_flex(12,0.1).
 4049p3_pi_doner(12,0.1).
 4050p3_polar(12,0.1).
 4051p3_h_doner(12,0.1).
 4052p3_h_acceptor(12,0.1).
 4053p3_size(12,0.1).
 4054p3_pi_acceptor(12,0.1).
 4055p3_branch(12,0.1).
 4056p3_sigma(12,0.1).
 4057p3_polarisable(12,0.1).
 4058p3_flex(13,0.1).
 4059p3_pi_doner(13,0.1).
 4060p3_polar(13,0.1).
 4061p3_h_doner(13,0.1).
 4062p3_h_acceptor(13,0.1).
 4063p3_size(13,0.1).
 4064p3_pi_acceptor(13,0.1).
 4065p3_branch(13,0.1).
 4066p3_sigma(13,0.1).
 4067p3_polarisable(13,0.1).
 4068p3_flex(14,0.1).
 4069p3_pi_doner(14,0.1).
 4070p3_polar(14,0.1).
 4071p3_h_doner(14,0.1).
 4072p3_h_acceptor(14,0.1).
 4073p3_size(14,0.1).
 4074p3_pi_acceptor(14,0.1).
 4075p3_branch(14,0.1).
 4076p3_sigma(14,0.1).
 4077p3_polarisable(14,0.1).
 4078p3_flex(15,0.1).
 4079p3_pi_doner(15,0.1).
 4080p3_polar(15,0.1).
 4081p3_h_doner(15,0.1).
 4082p3_h_acceptor(15,0.1).
 4083p3_size(15,0.1).
 4084p3_pi_acceptor(15,0.1).
 4085p3_branch(15,0.1).
 4086p3_sigma(15,0.1).
 4087p3_polarisable(15,0.1).
 4088p3_flex(16,0.1).
 4089p3_pi_doner(16,0.1).
 4090p3_polar(16,0.1).
 4091p3_h_doner(16,0.1).
 4092p3_h_acceptor(16,0.1).
 4093p3_size(16,0.1).
 4094p3_pi_acceptor(16,0.1).
 4095p3_branch(16,0.1).
 4096p3_sigma(16,0.1).
 4097p3_polarisable(16,0.1).
 4098p3_flex(17,0.1).
 4099p3_pi_doner(17,0.1).
 4100p3_polar(17,0.1).
 4101p3_h_doner(17,0.1).
 4102p3_h_acceptor(17,0.1).
 4103p3_size(17,0.1).
 4104p3_pi_acceptor(17,0.1).
 4105p3_branch(17,0.1).
 4106p3_sigma(17,0.1).
 4107p3_polarisable(17,0.1).
 4108p3_flex(18,0.1).
 4109p3_pi_doner(18,0.1).
 4110p3_polar(18,0.1).
 4111p3_h_doner(18,0.1).
 4112p3_h_acceptor(18,0.1).
 4113p3_size(18,0.1).
 4114p3_pi_acceptor(18,0.1).
 4115p3_branch(18,0.1).
 4116p3_sigma(18,0.1).
 4117p3_polarisable(18,0.1).
 4118p3_flex(19,0.1).
 4119p3_pi_doner(19,0.1).
 4120p3_polar(19,0.1).
 4121p3_h_doner(19,0.1).
 4122p3_h_acceptor(19,0.1).
 4123p3_size(19,0.1).
 4124p3_pi_acceptor(19,0.1).
 4125p3_branch(19,0.1).
 4126p3_sigma(19,0.1).
 4127p3_polarisable(19,0.1).
 4128p3_flex(20,0.1).
 4129p3_pi_doner(20,0.1).
 4130p3_polar(20,0.1).
 4131p3_h_doner(20,0.1).
 4132p3_h_acceptor(20,0.1).
 4133p3_size(20,0.1).
 4134p3_pi_acceptor(20,0.1).
 4135p3_branch(20,0.1).
 4136p3_sigma(20,0.1).
 4137p3_polarisable(20,0.1).
 4138p3_flex(21,0.1).
 4139p3_pi_doner(21,0.1).
 4140p3_polar(21,0.1).
 4141p3_h_doner(21,0.1).
 4142p3_h_acceptor(21,0.1).
 4143p3_size(21,0.1).
 4144p3_pi_acceptor(21,0.1).
 4145p3_branch(21,0.1).
 4146p3_sigma(21,0.1).
 4147p3_polarisable(21,0.1).
 4148p3_flex(22,0.1).
 4149p3_pi_doner(22,0.1).
 4150p3_polar(22,0.1).
 4151p3_h_doner(22,0.1).
 4152p3_h_acceptor(22,0.1).
 4153p3_size(22,0.1).
 4154p3_pi_acceptor(22,0.1).
 4155p3_branch(22,0.1).
 4156p3_sigma(22,0.1).
 4157p3_polarisable(22,0.1).
 4158p3_flex(23,0.1).
 4159p3_pi_doner(23,0.1).
 4160p3_polar(23,0.1).
 4161p3_h_doner(23,0.1).
 4162p3_h_acceptor(23,0.1).
 4163p3_size(23,0.1).
 4164p3_pi_acceptor(23,0.1).
 4165p3_branch(23,0.1).
 4166p3_sigma(23,0.1).
 4167p3_polarisable(23,0.1).
 4168p3_flex(24,0.1).
 4169p3_pi_doner(24,0.1).
 4170p3_polar(24,0.1).
 4171p3_h_doner(24,0.1).
 4172p3_h_acceptor(24,0.1).
 4173p3_size(24,0.1).
 4174p3_pi_acceptor(24,0.1).
 4175p3_branch(24,0.1).
 4176p3_sigma(24,0.1).
 4177p3_polarisable(24,0.1).
 4178p3_flex(25,0.1).
 4179p3_pi_doner(25,0.1).
 4180p3_polar(25,0.1).
 4181p3_h_doner(25,0.1).
 4182p3_h_acceptor(25,0.1).
 4183p3_size(25,0.1).
 4184p3_pi_acceptor(25,0.1).
 4185p3_branch(25,0.1).
 4186p3_sigma(25,0.1).
 4187p3_polarisable(25,0.1).
 4188p3_flex(26,0.1).
 4189p3_pi_doner(26,0.1).
 4190p3_polar(26,0.1).
 4191p3_h_doner(26,0.1).
 4192p3_h_acceptor(26,0.1).
 4193p3_size(26,0.1).
 4194p3_pi_acceptor(26,0.1).
 4195p3_branch(26,0.1).
 4196p3_sigma(26,0.1).
 4197p3_polarisable(26,0.1).
 4198p3_flex(27,0.1).
 4199p3_pi_doner(27,0.1).
 4200p3_polar(27,0.1).
 4201p3_h_doner(27,0.1).
 4202p3_h_acceptor(27,0.1).
 4203p3_size(27,0.1).
 4204p3_pi_acceptor(27,0.1).
 4205p3_branch(27,0.1).
 4206p3_sigma(27,0.1).
 4207p3_polarisable(27,0.1).
 4208p3_flex(28,0.1).
 4209p3_pi_doner(28,0.1).
 4210p3_polar(28,0.1).
 4211p3_h_doner(28,0.1).
 4212p3_h_acceptor(28,0.1).
 4213p3_size(28,0.1).
 4214p3_pi_acceptor(28,0.1).
 4215p3_branch(28,0.1).
 4216p3_sigma(28,0.1).
 4217p3_polarisable(28,0.1).
 4218p3_flex(29,0.1).
 4219p3_pi_doner(29,0.1).
 4220p3_polar(29,0.1).
 4221p3_h_doner(29,0.1).
 4222p3_h_acceptor(29,0.1).
 4223p3_size(29,0.1).
 4224p3_pi_acceptor(29,0.1).
 4225p3_branch(29,0.1).
 4226p3_sigma(29,0.1).
 4227p3_polarisable(29,0.1).
 4228p3_flex(30,0.1).
 4229p3_pi_doner(30,0.1).
 4230p3_polar(30,0.1).
 4231p3_h_doner(30,0.1).
 4232p3_h_acceptor(30,0.1).
 4233p3_size(30,0.1).
 4234p3_pi_acceptor(30,0.1).
 4235p3_branch(30,0.1).
 4236p3_sigma(30,0.1).
 4237p3_polarisable(30,0.1).
 4238p3_flex(31,0.1).
 4239p3_pi_doner(31,0.1).
 4240p3_polar(31,0.1).
 4241p3_h_doner(31,0.1).
 4242p3_h_acceptor(31,0.1).
 4243p3_size(31,0.1).
 4244p3_pi_acceptor(31,0.1).
 4245p3_branch(31,0.1).
 4246p3_sigma(31,0.1).
 4247p3_polarisable(31,0.1).
 4248p3_flex(32,0.1).
 4249p3_pi_doner(32,0.1).
 4250p3_polar(32,0.1).
 4251p3_h_doner(32,0.1).
 4252p3_h_acceptor(32,0.1).
 4253p3_size(32,0.1).
 4254p3_pi_acceptor(32,0.1).
 4255p3_branch(32,0.1).
 4256p3_sigma(32,0.1).
 4257p3_polarisable(32,0.1).
 4258p3_flex(33,0.1).
 4259p3_pi_doner(33,0.1).
 4260p3_polar(33,0.1).
 4261p3_h_doner(33,0.1).
 4262p3_h_acceptor(33,0.1).
 4263p3_size(33,0.1).
 4264p3_pi_acceptor(33,0.1).
 4265p3_branch(33,0.1).
 4266p3_sigma(33,0.1).
 4267p3_polarisable(33,0.1).
 4268p3_flex(34,0.1).
 4269p3_pi_doner(34,0.1).
 4270p3_polar(34,0.1).
 4271p3_h_doner(34,0.1).
 4272p3_h_acceptor(34,0.1).
 4273p3_size(34,0.1).
 4274p3_pi_acceptor(34,0.1).
 4275p3_branch(34,0.1).
 4276p3_sigma(34,0.1).
 4277p3_polarisable(34,0.1).
 4278p3_flex(35,0.1).
 4279p3_pi_doner(35,0.1).
 4280p3_polar(35,0.1).
 4281p3_h_doner(35,0.1).
 4282p3_h_acceptor(35,0.1).
 4283p3_size(35,0.1).
 4284p3_pi_acceptor(35,0.1).
 4285p3_branch(35,0.1).
 4286p3_sigma(35,0.1).
 4287p3_polarisable(35,0.1).
 4288p3_flex(36,0.1).
 4289p3_pi_doner(36,0.1).
 4290p3_polar(36,0.1).
 4291p3_h_doner(36,0.1).
 4292p3_h_acceptor(36,0.1).
 4293p3_size(36,0.1).
 4294p3_pi_acceptor(36,0.1).
 4295p3_branch(36,0.1).
 4296p3_sigma(36,0.1).
 4297p3_polarisable(36,0.1).
 4298p3_flex(37,0.1).
 4299p3_pi_doner(37,0.1).
 4300p3_polar(37,0.1).
 4301p3_h_doner(37,0.1).
 4302p3_h_acceptor(37,0.1).
 4303p3_size(37,0.1).
 4304p3_pi_acceptor(37,0.1).
 4305p3_branch(37,0.1).
 4306p3_sigma(37,0.1).
 4307p3_polarisable(37,0.1).
 4308p3_flex(38,0.1).
 4309p3_pi_doner(38,0.1).
 4310p3_polar(38,0.1).
 4311p3_h_doner(38,0.1).
 4312p3_h_acceptor(38,0.1).
 4313p3_size(38,0.1).
 4314p3_pi_acceptor(38,0.1).
 4315p3_branch(38,0.1).
 4316p3_sigma(38,0.1).
 4317p3_polarisable(38,0.1).
 4318p3_flex(39,0.1).
 4319p3_pi_doner(39,0.1).
 4320p3_polar(39,0.1).
 4321p3_h_doner(39,0.1).
 4322p3_h_acceptor(39,0.1).
 4323p3_size(39,0.1).
 4324p3_pi_acceptor(39,0.1).
 4325p3_branch(39,0.1).
 4326p3_sigma(39,0.1).
 4327p3_polarisable(39,0.1).
 4328p3_flex(40,0.1).
 4329p3_pi_doner(40,0.1).
 4330p3_polar(40,0.1).
 4331p3_h_doner(40,0.1).
 4332p3_h_acceptor(40,0.1).
 4333p3_size(40,0.1).
 4334p3_pi_acceptor(40,0.1).
 4335p3_branch(40,0.1).
 4336p3_sigma(40,0.1).
 4337p3_polarisable(40,0.1).
 4338p3_flex(41,0.1).
 4339p3_pi_doner(41,0.1).
 4340p3_polar(41,0.1).
 4341p3_h_doner(41,0.1).
 4342p3_h_acceptor(41,0.1).
 4343p3_size(41,0.1).
 4344p3_pi_acceptor(41,0.1).
 4345p3_branch(41,0.1).
 4346p3_sigma(41,0.1).
 4347p3_polarisable(41,0.1).
 4348p3_flex(42,0.1).
 4349p3_pi_doner(42,0.1).
 4350p3_polar(42,0.1).
 4351p3_h_doner(42,0.1).
 4352p3_h_acceptor(42,0.1).
 4353p3_size(42,0.1).
 4354p3_pi_acceptor(42,0.1).
 4355p3_branch(42,0.1).
 4356p3_sigma(42,0.1).
 4357p3_polarisable(42,0.1).
 4358p3_flex(43,0.1).
 4359p3_pi_doner(43,0.1).
 4360p3_polar(43,0.1).
 4361p3_h_doner(43,0.1).
 4362p3_h_acceptor(43,0.1).
 4363p3_size(43,0.1).
 4364p3_pi_acceptor(43,0.1).
 4365p3_branch(43,0.1).
 4366p3_sigma(43,0.1).
 4367p3_polarisable(43,0.1).
 4368p3_flex(44,0.1).
 4369p3_pi_doner(44,0.1).
 4370p3_polar(44,0.1).
 4371p3_h_doner(44,0.1).
 4372p3_h_acceptor(44,0.1).
 4373p3_size(44,0.1).
 4374p3_pi_acceptor(44,0.1).
 4375p3_branch(44,0.1).
 4376p3_sigma(44,0.1).
 4377p3_polarisable(44,0.1).
 4378p3_flex(45,0.1).
 4379p3_pi_doner(45,0.1).
 4380p3_polar(45,0.1).
 4381p3_h_doner(45,0.1).
 4382p3_h_acceptor(45,0.1).
 4383p3_size(45,0.1).
 4384p3_pi_acceptor(45,0.1).
 4385p3_branch(45,0.1).
 4386p3_sigma(45,0.1).
 4387p3_polarisable(45,0.1).
 4388p3_flex(46,0.1).
 4389p3_pi_doner(46,0.1).
 4390p3_polar(46,0.1).
 4391p3_h_doner(46,0.1).
 4392p3_h_acceptor(46,0.1).
 4393p3_size(46,0.1).
 4394p3_pi_acceptor(46,0.1).
 4395p3_branch(46,0.1).
 4396p3_sigma(46,0.1).
 4397p3_polarisable(46,0.1).
 4398p3_flex(47,0.1).
 4399p3_pi_doner(47,0.1).
 4400p3_polar(47,0.1).
 4401p3_h_doner(47,0.1).
 4402p3_h_acceptor(47,0.1).
 4403p3_size(47,0.1).
 4404p3_pi_acceptor(47,0.1).
 4405p3_branch(47,0.1).
 4406p3_sigma(47,0.1).
 4407p3_polarisable(47,0.1).
 4408p3_flex(48,0.1).
 4409p3_pi_doner(48,0.1).
 4410p3_polar(48,0.1).
 4411p3_h_doner(48,0.1).
 4412p3_h_acceptor(48,0.1).
 4413p3_size(48,0.1).
 4414p3_pi_acceptor(48,0.1).
 4415p3_branch(48,0.1).
 4416p3_sigma(48,0.1).
 4417p3_polarisable(48,0.1).
 4418p3_flex(49,0.1).
 4419p3_pi_doner(49,0.1).
 4420p3_polar(49,0.1).
 4421p3_h_doner(49,0.1).
 4422p3_h_acceptor(49,0.1).
 4423p3_size(49,0.1).
 4424p3_pi_acceptor(49,0.1).
 4425p3_branch(49,0.1).
 4426p3_sigma(49,0.1).
 4427p3_polarisable(49,0.1).
 4428p3_flex(50,0.1).
 4429p3_pi_doner(50,0.1).
 4430p3_polar(50,0.1).
 4431p3_h_doner(50,0.1).
 4432p3_h_acceptor(50,0.1).
 4433p3_size(50,0.1).
 4434p3_pi_acceptor(50,0.1).
 4435p3_branch(50,0.1).
 4436p3_sigma(50,0.1).
 4437p3_polarisable(50,0.1).
 4438p3_flex(51,0.1).
 4439p3_pi_doner(51,0.1).
 4440p3_polar(51,0.1).
 4441p3_h_doner(51,0.1).
 4442p3_h_acceptor(51,0.1).
 4443p3_size(51,0.1).
 4444p3_pi_acceptor(51,0.1).
 4445p3_branch(51,0.1).
 4446p3_sigma(51,0.1).
 4447p3_polarisable(51,0.1).
 4448p3_flex(52,0.1).
 4449p3_pi_doner(52,0.1).
 4450p3_polar(52,0.1).
 4451p3_h_doner(52,0.1).
 4452p3_h_acceptor(52,0.1).
 4453p3_size(52,0.1).
 4454p3_pi_acceptor(52,0.1).
 4455p3_branch(52,0.1).
 4456p3_sigma(52,0.1).
 4457p3_polarisable(52,0.1).
 4458p3_flex(53,0.1).
 4459p3_pi_doner(53,0.1).
 4460p3_polar(53,0.1).
 4461p3_h_doner(53,0.1).
 4462p3_h_acceptor(53,0.1).
 4463p3_size(53,0.1).
 4464p3_pi_acceptor(53,0.1).
 4465p3_branch(53,0.1).
 4466p3_sigma(53,0.1).
 4467p3_polarisable(53,0.1).
 4468p3_flex(54,0.1).
 4469p3_pi_doner(54,0.1).
 4470p3_polar(54,0.1).
 4471p3_h_doner(54,0.1).
 4472p3_h_acceptor(54,0.1).
 4473p3_size(54,0.1).
 4474p3_pi_acceptor(54,0.1).
 4475p3_branch(54,0.1).
 4476p3_sigma(54,0.1).
 4477p3_polarisable(54,0.1).
 4478p3_flex(55,0.1).
 4479p3_pi_doner(55,0.1).
 4480p3_polar(55,0.1).
 4481p3_h_doner(55,0.1).
 4482p3_h_acceptor(55,0.1).
 4483p3_size(55,0.1).
 4484p3_pi_acceptor(55,0.1).
 4485p3_branch(55,0.1).
 4486p3_sigma(55,0.1).
 4487p3_polarisable(55,0.1).
 4488p3_flex(56,0.1).
 4489p3_pi_doner(56,0.1).
 4490p3_polar(56,0.1).
 4491p3_h_doner(56,0.1).
 4492p3_h_acceptor(56,0.1).
 4493p3_size(56,0.1).
 4494p3_pi_acceptor(56,0.1).
 4495p3_branch(56,0.1).
 4496p3_sigma(56,0.1).
 4497p3_polarisable(56,0.1).
 4498p3_flex(57,0.1).
 4499p3_pi_doner(57,0.1).
 4500p3_polar(57,0.1).
 4501p3_h_doner(57,0.1).
 4502p3_h_acceptor(57,0.1).
 4503p3_size(57,0.1).
 4504p3_pi_acceptor(57,0.1).
 4505p3_branch(57,0.1).
 4506p3_sigma(57,0.1).
 4507p3_polarisable(57,0.1).
 4508p3_flex(58,0.1).
 4509p3_pi_doner(58,0.1).
 4510p3_polar(58,0.1).
 4511p3_h_doner(58,0.1).
 4512p3_h_acceptor(58,0.1).
 4513p3_size(58,0.1).
 4514p3_pi_acceptor(58,0.1).
 4515p3_branch(58,0.1).
 4516p3_sigma(58,0.1).
 4517p3_polarisable(58,0.1).
 4518p3_flex(59,0.1).
 4519p3_pi_doner(59,0.1).
 4520p3_polar(59,0.1).
 4521p3_h_doner(59,0.1).
 4522p3_h_acceptor(59,0.1).
 4523p3_size(59,0.1).
 4524p3_pi_acceptor(59,0.1).
 4525p3_branch(59,0.1).
 4526p3_sigma(59,0.1).
 4527p3_polarisable(59,0.1).
 4528p3_flex(60,0.1).
 4529p3_pi_doner(60,0.1).
 4530p3_polar(60,0.1).
 4531p3_h_doner(60,0.1).
 4532p3_h_acceptor(60,0.1).
 4533p3_size(60,0.1).
 4534p3_pi_acceptor(60,0.1).
 4535p3_branch(60,0.1).
 4536p3_sigma(60,0.1).
 4537p3_polarisable(60,0.1).
 4538p3_flex(61,0.1).
 4539p3_pi_doner(61,0.1).
 4540p3_polar(61,0.1).
 4541p3_h_doner(61,0.1).
 4542p3_h_acceptor(61,0.1).
 4543p3_size(61,0.1).
 4544p3_pi_acceptor(61,0.1).
 4545p3_branch(61,0.1).
 4546p3_sigma(61,0.1).
 4547p3_polarisable(61,0.1).
 4548p3_flex(62,0.1).
 4549p3_pi_doner(62,0.1).
 4550p3_polar(62,0.1).
 4551p3_h_doner(62,0.1).
 4552p3_h_acceptor(62,0.1).
 4553p3_size(62,0.1).
 4554p3_pi_acceptor(62,0.1)