COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -38.311  -0.933  23.404  1.00  0.00           C  
HETATM    2  C   UNL     1     -37.537  -1.961  24.238  1.00  0.00           C  
HETATM    3  C   UNL     1     -39.535  -3.356  24.994  1.00  0.00           C  
HETATM    4  C   UNL     1     -41.365  -5.031  25.096  1.00  0.00           C  
HETATM    5  C   UNL     1     -42.587  -5.119  24.738  1.00  0.00           C  
HETATM    6  C   UNL     1     -41.845  -7.217  24.050  1.00  0.00           C  
HETATM    7  C   UNL     1     -39.830  -7.785  23.055  1.00  0.00           C  
HETATM    8  C   UNL     1     -36.121  -2.186  23.668  1.00  0.00           C  
HETATM    9  C   UNL     1     -34.564   5.758  25.175  1.00  0.00           C  
HETATM   10  C   UNL     1     -36.010   5.552  25.653  1.00  0.00           C  
HETATM   11  C   UNL     1     -36.542   4.129  25.860  1.00  0.00           C  
HETATM   12  C   UNL     1     -35.652   2.903  25.594  1.00  0.00           C  
HETATM   13  C   UNL     1     -34.195   3.108  25.111  1.00  0.00           C  
HETATM   14  C   UNL     1     -33.655   4.538  24.903  1.00  0.00           C  
HETATM   15  C   UNL     1     -38.846   2.189  25.102  1.00  0.00           C  
HETATM   16  C   UNL     1     -37.671   0.485  23.510  1.00  0.00           C  
HETATM   17  C   UNL     1     -40.734  -6.420  24.759  1.00  0.00           C  
HETATM   18  C   UNL     1     -39.746  -6.363  23.849  1.00  0.00           C  
HETATM   19  C   UNL     1     -35.700  -3.633  24.063  1.00  0.00           C  
HETATM   20  C   UNL     1     -36.092  -4.819  23.162  1.00  0.00           C  
HETATM   21  C   UNL     1     -35.710  -6.254  23.557  1.00  0.00           C  
HETATM   22  C   UNL     1     -34.913  -6.517  24.851  1.00  0.00           C  
HETATM   23  C   UNL     1     -34.524  -5.324  25.749  1.00  0.00           C  
HETATM   24  C   UNL     1     -34.915  -3.884  25.362  1.00  0.00           C  
HETATM   25  C   UNL     1     -40.576   4.266  25.785  1.00  0.00           C  
HETATM   26  C   UNL     1     -40.385   1.870  24.936  1.00  0.00           C  
HETATM   27  C   UNL     1     -41.172   2.860  25.830  1.00  0.00           C  
HETATM   28  C   UNL     1     -40.843   0.446  25.366  1.00  0.00           C  
HETATM   29  C   UNL     1     -39.980  -0.151  26.508  1.00  0.00           C  
HETATM   30  C   UNL     1     -33.475  -8.124  26.042  1.00  0.00           C  
HETATM   31  C   UNL     1     -31.177  -7.273  22.772  1.00  0.00           C  
HETATM   32  C   UNL     1     -31.772 -10.995  23.888  1.00  0.00           C  
HETATM   33  C   UNL     1     -29.702  -6.815  22.640  1.00  0.00           C  
HETATM   34  C   UNL     1     -32.709 -12.271  24.500  1.00  0.00           C  
HETATM   35  N   UNL     1     -37.849   1.073  24.889  1.00  0.00           N  
HETATM   36  N   UNL     1     -38.286  -3.211  24.211  1.00  0.00           N  
HETATM   37  N   UNL     1     -34.079   7.126  24.983  1.00  0.00           N  
HETATM   38  O   UNL     1     -36.718   1.016  27.271  1.00  0.00           O  
HETATM   39  O   UNL     1     -35.437   0.139  25.628  1.00  0.00           O  
HETATM   40  O   UNL     1     -38.331  -1.354  22.079  1.00  0.00           O  
HETATM   41  O   UNL     1     -39.574  -3.033  26.140  1.00  0.00           O  
HETATM   42  O   UNL     1     -40.692  -3.892  24.354  1.00  0.00           O  
HETATM   43  O   UNL     1     -42.658  -6.326  23.617  1.00  0.00           O  
HETATM   44  O   UNL     1     -41.114  -8.006  22.886  1.00  0.00           O  
HETATM   45  O   UNL     1     -34.577  -7.870  25.179  1.00  0.00           O  
HETATM   46  O   UNL     1     -31.547  -7.192  24.136  1.00  0.00           O  
HETATM   47  O   UNL     1     -32.444  -9.770  23.897  1.00  0.00           O  
HETATM   48  O   UNL     1     -30.875  -9.025  25.807  1.00  0.00           O  
HETATM   49  P   UNL     1     -31.991  -8.571  24.972  1.00  0.00           P  
HETATM   50  S   UNL     1     -36.396   1.227  25.862  1.00  0.00           S  
HETATM   51  H   UNL     1     -39.336  -0.872  23.798  1.00  0.00           H  
HETATM   52  H   UNL     1     -37.452  -1.594  25.271  1.00  0.00           H  
HETATM   53  H   UNL     1     -41.257  -4.860  26.177  1.00  0.00           H  
HETATM   54  H   UNL     1     -43.220  -5.366  25.603  1.00  0.00           H  
HETATM   55  H   UNL     1     -42.923  -4.169  24.296  1.00  0.00           H  
HETATM   56  H   UNL     1     -42.296  -7.936  24.750  1.00  0.00           H  
HETATM   57  H   UNL     1     -39.319  -7.716  22.084  1.00  0.00           H  
HETATM   58  H   UNL     1     -39.375  -8.589  23.653  1.00  0.00           H  
HETATM   59  H   UNL     1     -36.133  -2.081  22.573  1.00  0.00           H  
HETATM   60  H   UNL     1     -35.419  -1.457  24.099  1.00  0.00           H  
HETATM   61  H   UNL     1     -36.647   6.404  25.842  1.00  0.00           H  
HETATM   62  H   UNL     1     -37.558   3.985  26.198  1.00  0.00           H  
HETATM   63  H   UNL     1     -33.561   2.255  24.921  1.00  0.00           H  
HETATM   64  H   UNL     1     -32.640   4.687  24.567  1.00  0.00           H  
HETATM   65  H   UNL     1     -38.600   2.985  24.383  1.00  0.00           H  
HETATM   66  H   UNL     1     -38.701   2.562  26.126  1.00  0.00           H  
HETATM   67  H   UNL     1     -36.596   0.409  23.290  1.00  0.00           H  
HETATM   68  H   UNL     1     -38.149   1.148  22.774  1.00  0.00           H  
HETATM   69  H   UNL     1     -40.438  -6.929  25.688  1.00  0.00           H  
HETATM   70  H   UNL     1     -38.770  -6.252  24.343  1.00  0.00           H  
HETATM   71  H   UNL     1     -39.904  -5.523  23.157  1.00  0.00           H  
HETATM   72  H   UNL     1     -36.638  -4.641  22.248  1.00  0.00           H  
HETATM   73  H   UNL     1     -36.001  -7.081  22.926  1.00  0.00           H  
HETATM   74  H   UNL     1     -33.971  -5.500  26.660  1.00  0.00           H  
HETATM   75  H   UNL     1     -34.640  -3.056  25.999  1.00  0.00           H  
HETATM   76  H   UNL     1     -41.163   4.935  26.432  1.00  0.00           H  
HETATM   77  H   UNL     1     -39.535   4.234  26.139  1.00  0.00           H  
HETATM   78  H   UNL     1     -40.600   4.641  24.751  1.00  0.00           H  
HETATM   79  H   UNL     1     -40.667   2.034  23.885  1.00  0.00           H  
HETATM   80  H   UNL     1     -41.149   2.497  26.868  1.00  0.00           H  
HETATM   81  H   UNL     1     -42.214   2.904  25.480  1.00  0.00           H  
HETATM   82  H   UNL     1     -41.887   0.502  25.709  1.00  0.00           H  
HETATM   83  H   UNL     1     -40.779  -0.221  24.493  1.00  0.00           H  
HETATM   84  H   UNL     1     -40.353  -1.153  26.765  1.00  0.00           H  
HETATM   85  H   UNL     1     -38.933  -0.223  26.177  1.00  0.00           H  
HETATM   86  H   UNL     1     -40.041   0.500  27.392  1.00  0.00           H  
HETATM   87  H   UNL     1     -33.250  -7.225  26.635  1.00  0.00           H  
HETATM   88  H   UNL     1     -33.714  -8.959  26.717  1.00  0.00           H  
HETATM   89  H   UNL     1     -31.825  -6.618  22.171  1.00  0.00           H  
HETATM   90  H   UNL     1     -31.277  -8.310  22.420  1.00  0.00           H  
HETATM   91  H   UNL     1     -31.491 -11.233  22.851  1.00  0.00           H  
HETATM   92  H   UNL     1     -30.864 -10.901  24.502  1.00  0.00           H  
HETATM   93  H   UNL     1     -29.393  -6.870  21.586  1.00  0.00           H  
HETATM   94  H   UNL     1     -29.607  -5.779  22.996  1.00  0.00           H  
HETATM   95  H   UNL     1     -29.059  -7.471  23.245  1.00  0.00           H  
HETATM   96  H   UNL     1     -32.126 -13.203  24.466  1.00  0.00           H  
HETATM   97  H   UNL     1     -32.991 -12.052  25.541  1.00  0.00           H  
HETATM   98  H   UNL     1     -33.617 -12.384  23.890  1.00  0.00           H  
HETATM   99  H   UNL     1     -37.954  -3.977  23.660  1.00  0.00           H  
HETATM  100  H   UNL     1     -33.129   7.103  24.673  1.00  0.00           H  
HETATM  101  H   UNL     1     -34.642   7.586  24.297  1.00  0.00           H  
HETATM  102  H   UNL     1     -38.809  -0.723  21.553  1.00  0.00           H  
CONECT    1    2   16   40   51                                       
CONECT    2    1    8   36   52                                       
CONECT    3   36   41   41   42                                       
CONECT    4    5   17   42   53                                       
CONECT    5    4   43   54   55                                       
CONECT    6   17   43   44   56                                       
CONECT    7   18   44   57   58                                       
CONECT    8    2   19   59   60                                       
CONECT    9   10   10   14   37                                       
CONECT   10    9    9   11   61                                       
CONECT   11   10   12   12   62                                       
CONECT   12   11   11   13   50                                       
CONECT   13   12   14   14   63                                       
CONECT   14    9   13   13   64                                       
CONECT   15   26   35   65   66                                       
CONECT   16    1   35   67   68                                       
CONECT   17    4    6   18   69                                       
CONECT   18    7   17   70   71                                       
CONECT   19    8   20   20   24                                       
CONECT   20   19   19   21   72                                       
CONECT   21   20   22   22   73                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24   74                                       
CONECT   24   19   23   23   75                                       
CONECT   25   27   76   77   78                                       
CONECT   26   15   27   28   79                                       
CONECT   27   25   26   80   81                                       
CONECT   28   26   29   82   83                                       
CONECT   29   28   84   85   86                                       
CONECT   30   45   49   87   88                                       
CONECT   31   33   46   89   90                                       
CONECT   32   47   34   91   92                                       
CONECT   33   31   93   94   95                                       
CONECT   34   32   96   97   98                                       
CONECT   35   15   16   50                                            
CONECT   36    2    3   99                                            
CONECT   37    9  100  101                                            
CONECT   38   50   50                                                 
CONECT   39   50   50                                                 
CONECT   40    1  102                                                 
CONECT   41    3    3                                                 
CONECT   42    3    4                                                 
CONECT   43    5    6                                                 
CONECT   44    6    7                                                 
CONECT   45   22   30                                                 
CONECT   46   31   49                                                 
CONECT   47   32   49                                                 
CONECT   48   49   49                                                 
CONECT   49   30   46   47   48                                       
CONECT   49   48                                                      
CONECT   50   12   35   38   38                                       
CONECT   50   39   39                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   40                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
