COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.015  -3.789  -0.414  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.121  -4.369  -1.299  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.572  -5.717  -0.734  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.760  -6.238  -1.544  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.418  -6.718  -0.820  1.00  0.00           C  
HETATM    6  O   UNL     1       9.906   2.636  -0.399  1.00  0.00           O  
HETATM    7  P   UNL     1       8.916   1.714  -1.271  1.00  0.00           P  
HETATM    8  O   UNL     1       7.964   2.649  -2.172  1.00  0.00           O  
HETATM    9  O   UNL     1       9.712   0.828  -2.150  1.00  0.00           O  
HETATM   10  O   UNL     1       8.010   0.818  -0.286  1.00  0.00           O  
HETATM   11  C   UNL     1       7.103  -0.181  -0.756  1.00  0.00           C  
HETATM   12  C   UNL     1       7.464  -1.561  -0.162  1.00  0.00           C  
HETATM   13  O   UNL     1       8.606  -1.457   0.690  1.00  0.00           O  
HETATM   14  C   UNL     1       6.212  -1.958   0.652  1.00  0.00           C  
HETATM   15  N   UNL     1       5.966  -3.398   0.539  1.00  0.00           N  
HETATM   16  C   UNL     1       5.126  -4.006  -0.347  1.00  0.00           C  
HETATM   17  N   UNL     1       5.150  -5.295  -0.170  1.00  0.00           N  
HETATM   18  C   UNL     1       6.005  -5.596   0.837  1.00  0.00           C  
HETATM   19  C   UNL     1       6.426  -6.786   1.454  1.00  0.00           C  
HETATM   20  N   UNL     1       5.935  -8.011   1.037  1.00  0.00           N  
HETATM   21  N   UNL     1       7.306  -6.708   2.446  1.00  0.00           N  
HETATM   22  C   UNL     1       7.780  -5.544   2.851  1.00  0.00           C  
HETATM   23  N   UNL     1       7.415  -4.404   2.303  1.00  0.00           N  
HETATM   24  C   UNL     1       6.543  -4.383   1.301  1.00  0.00           C  
HETATM   25  O   UNL     1       5.130  -1.214   0.051  1.00  0.00           O  
HETATM   26  C   UNL     1       5.677   0.093  -0.230  1.00  0.00           C  
HETATM   27  C   UNL     1       4.842   0.800  -1.299  1.00  0.00           C  
HETATM   28  O   UNL     1       3.541   1.082  -0.779  1.00  0.00           O  
HETATM   29  P   UNL     1       2.396   1.824  -1.634  1.00  0.00           P  
HETATM   30  O   UNL     1       1.967   0.894  -2.876  1.00  0.00           O  
HETATM   31  O   UNL     1       2.916   3.114  -2.139  1.00  0.00           O  
HETATM   32  O   UNL     1       1.115   2.091  -0.696  1.00  0.00           O  
HETATM   33  P   UNL     1      -0.191   3.024  -0.827  1.00  0.00           P  
HETATM   34  O   UNL     1      -1.270   2.306  -1.782  1.00  0.00           O  
HETATM   35  O   UNL     1       0.191   4.330  -1.409  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.834   3.253   0.631  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.944   4.123   0.864  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.300   4.109   2.352  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.669   2.685   2.775  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.097   4.587   3.168  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.488   5.039   2.601  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.101   6.389   2.333  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.628   4.654   1.693  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.968   5.397   0.798  1.00  0.00           O  
HETATM   45  N   UNL     1      -5.268   3.482   1.877  1.00  0.00           N  
HETATM   46  C   UNL     1      -6.311   3.062   0.936  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.873   1.707   1.370  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.945   1.276   0.403  1.00  0.00           C  
HETATM   49  O   UNL     1      -8.231   1.982  -0.540  1.00  0.00           O  
HETATM   50  N   UNL     1      -8.586   0.104   0.586  1.00  0.00           N  
HETATM   51  C   UNL     1      -9.628  -0.315  -0.354  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.190  -1.671   0.079  1.00  0.00           C  
HETATM   53  S   UNL     1     -11.481  -2.190  -1.085  1.00  0.00           S  
HETATM   54  H   UNL     1     -12.396  -3.649   0.597  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.169  -4.476  -0.393  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.967  -3.682  -1.320  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.741  -4.508  -2.311  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.869  -5.593   0.308  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.463  -6.362  -2.586  1.00  0.00           H  
HETATM   60  H   UNL     1     -15.082  -7.199  -1.142  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.582  -5.525  -1.483  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.121  -6.842  -1.861  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.571  -6.347  -0.242  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.739  -7.679  -0.417  1.00  0.00           H  
HETATM   65  H   UNL     1      10.483   3.204  -0.929  1.00  0.00           H  
HETATM   66  H   UNL     1       7.412   3.257  -1.661  1.00  0.00           H  
HETATM   67  H   UNL     1       7.110  -0.220  -1.845  1.00  0.00           H  
HETATM   68  H   UNL     1       7.647  -2.283  -0.958  1.00  0.00           H  
HETATM   69  H   UNL     1       8.877  -2.295   1.090  1.00  0.00           H  
HETATM   70  H   UNL     1       6.334  -1.676   1.698  1.00  0.00           H  
HETATM   71  H   UNL     1       4.528  -3.493  -1.086  1.00  0.00           H  
HETATM   72  H   UNL     1       5.293  -8.055   0.311  1.00  0.00           H  
HETATM   73  H   UNL     1       6.234  -8.826   1.470  1.00  0.00           H  
HETATM   74  H   UNL     1       8.494  -5.526   3.661  1.00  0.00           H  
HETATM   75  H   UNL     1       5.716   0.691   0.680  1.00  0.00           H  
HETATM   76  H   UNL     1       5.330   1.733  -1.582  1.00  0.00           H  
HETATM   77  H   UNL     1       4.752   0.157  -2.174  1.00  0.00           H  
HETATM   78  H   UNL     1       1.617   0.030  -2.618  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.566   1.443  -1.462  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.681   5.137   0.563  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.801   3.782   0.283  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.789   2.046   2.705  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.031   2.694   3.803  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.450   2.302   2.118  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.872   5.622   2.911  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.330   4.520   4.231  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.234   3.961   2.945  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.806   4.952   3.640  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.806   6.540   1.425  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.040   2.917   2.631  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.111   3.802   0.928  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.885   2.976  -0.063  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.072   0.968   1.379  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.299   1.794   2.369  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.357  -0.461   1.340  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.429   0.424  -0.363  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.202  -0.402  -1.354  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.390  -2.410   0.088  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.616  -1.584   1.079  1.00  0.00           H  
CONECT    1    2   53   54   55                                       
CONECT    2    3    1   56   57                                       
CONECT    3    5    4    2   58                                       
CONECT    4    3   59   60   61                                       
CONECT    5    3   62   63   64                                       
CONECT    6    7   65                                                 
CONECT    7    9    9   10    8                                       
CONECT    7    6                                                      
CONECT    8    7   66                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7                                                 
CONECT   11   26   10   12   67                                       
CONECT   12   13   11   14   68                                       
CONECT   13   12   69                                                 
CONECT   14   25   12   15   70                                       
CONECT   15   14   16   24                                            
CONECT   16   15   17   17   71                                       
CONECT   17   16   16   18                                            
CONECT   18   24   17   19   19                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   72   73                                            
CONECT   21   22   22   19                                            
CONECT   22   23   21   21   74                                       
CONECT   23   24   24   22                                            
CONECT   24   15   23   23   18                                       
CONECT   25   26   14                                                 
CONECT   26   27   25   11   75                                       
CONECT   27   26   28   76   77                                       
CONECT   28   27   29                                                 
CONECT   29   32   28   31   31                                       
CONECT   29   30                                                      
CONECT   30   29   78                                                 
CONECT   31   29   29                                                 
CONECT   32   33   29                                                 
CONECT   33   35   35   34   32                                       
CONECT   33   36                                                      
CONECT   34   33   79                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   80   81                                       
CONECT   38   37   40   39   41                                       
CONECT   39   38   82   83   84                                       
CONECT   40   38   85   86   87                                       
CONECT   41   38   42   43   88                                       
CONECT   42   41   89                                                 
CONECT   43   41   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   90                                            
CONECT   46   45   47   91   92                                       
CONECT   47   48   46   93   94                                       
CONECT   48   50   49   49   47                                       
CONECT   49   48   48                                                 
CONECT   50   51   48   95                                            
CONECT   51   50   52   96   97                                       
CONECT   52   51   53   98   99                                       
CONECT   53    1   52                                                 
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    8                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   52                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
