COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1     -14.916   4.983  -0.017  1.00  0.00           P  
HETATM    2  N   UNL     1      -7.920  -1.104   0.672  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.603  -0.927   0.736  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.182  -0.014   1.425  1.00  0.00           O  
HETATM    5  N   UNL     1      -5.711  -1.690   0.089  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.104  -2.721  -0.694  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.296  -3.415  -1.281  1.00  0.00           O  
HETATM    8  N   UNL     1      -8.048  -3.939  -1.533  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.879  -5.186  -2.401  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.223  -5.388  -2.480  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.108  -4.566  -1.789  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.642  -3.532  -1.010  1.00  0.00           C  
HETATM   13  C   UNL     1       9.743   2.985  -0.670  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.725  -1.399   0.603  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.454  -2.073  -0.054  1.00  0.00           C  
HETATM   16  N   UNL     1      -9.800  -2.268  -0.129  1.00  0.00           N  
HETATM   17  O   UNL     1     -16.139   4.349   0.523  1.00  0.00           O  
HETATM   18  C   UNL     1     -11.113  -0.210  -0.278  1.00  0.00           C  
HETATM   19  O   UNL     1      -9.939   0.529  -0.625  1.00  0.00           O  
HETATM   20  O   UNL     1     -15.303   5.912  -1.274  1.00  0.00           O  
HETATM   21  C   UNL     1     -12.079   0.697   0.486  1.00  0.00           C  
HETATM   22  O   UNL     1     -13.252  -0.041   0.832  1.00  0.00           O  
HETATM   23  O   UNL     1     -14.229   5.885   1.126  1.00  0.00           O  
HETATM   24  C   UNL     1     -12.466   1.887  -0.395  1.00  0.00           C  
HETATM   25  O   UNL     1     -11.293   2.625  -0.741  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.559  -2.969  -0.804  1.00  0.00           C  
HETATM   27  C   UNL     1     -13.432   2.794   0.369  1.00  0.00           C  
HETATM   28  O   UNL     1     -13.885   3.841  -0.492  1.00  0.00           O  
HETATM   29  C   UNL     1      -9.371  -4.135  -1.610  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.758  -6.513  -3.328  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.591  -4.812  -1.894  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.272  -3.302  -0.909  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.703  -2.099   1.312  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.329  -1.411   0.227  1.00  0.00           O  
HETATM   35  C   UNL     1       8.591   3.710  -0.660  1.00  0.00           C  
HETATM   36  C   UNL     1       9.737   1.622  -0.359  1.00  0.00           C  
HETATM   37  C   UNL     1       8.558   0.980  -0.034  1.00  0.00           C  
HETATM   38  C   UNL     1       7.354   1.709  -0.017  1.00  0.00           C  
HETATM   39  C   UNL     1       7.372   3.091  -0.334  1.00  0.00           C  
HETATM   40  C   UNL     1       6.132   1.089   0.308  1.00  0.00           C  
HETATM   41  C   UNL     1       4.970   1.841   0.314  1.00  0.00           C  
HETATM   42  C   UNL     1       5.001   3.201   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       6.171   3.821  -0.319  1.00  0.00           C  
HETATM   44  S   UNL     1      11.303   3.795  -1.098  1.00  0.00           S  
HETATM   45  S   UNL     1       3.463   4.156   0.016  1.00  0.00           S  
HETATM   46  N   UNL     1       3.749   1.231   0.638  1.00  0.00           N  
HETATM   47  N   UNL     1      10.939   0.901  -0.377  1.00  0.00           N  
HETATM   48  O   UNL     1      12.735   4.538  -1.492  1.00  0.00           O  
HETATM   49  N   UNL     1       6.093  -0.273   0.624  1.00  0.00           N  
HETATM   50  O   UNL     1      10.500   5.233  -1.308  1.00  0.00           O  
HETATM   51  O   UNL     1      11.491   2.755  -2.379  1.00  0.00           O  
HETATM   52  O   UNL     1       2.053   5.031   0.031  1.00  0.00           O  
HETATM   53  O   UNL     1       4.304   5.518  -0.421  1.00  0.00           O  
HETATM   54  O   UNL     1       3.253   3.790   1.622  1.00  0.00           O  
HETATM   55  N   UNL     1      10.950  -0.431  -0.812  1.00  0.00           N  
HETATM   56  N   UNL     1       3.708   0.213   1.600  1.00  0.00           N  
HETATM   57  C   UNL     1       2.516  -0.475   1.839  1.00  0.00           C  
HETATM   58  C   UNL     1      12.122  -1.185  -0.723  1.00  0.00           C  
HETATM   59  O   UNL     1       8.560  -0.347   0.266  1.00  0.00           O  
HETATM   60  C   UNL     1       2.474  -1.484   2.792  1.00  0.00           C  
HETATM   61  C   UNL     1       1.294  -2.162   3.026  1.00  0.00           C  
HETATM   62  C   UNL     1       0.154  -1.835   2.314  1.00  0.00           C  
HETATM   63  C   UNL     1       0.193  -0.831   1.365  1.00  0.00           C  
HETATM   64  C   UNL     1       1.369  -0.146   1.129  1.00  0.00           C  
HETATM   65  C   UNL     1      12.135  -2.505  -1.154  1.00  0.00           C  
HETATM   66  C   UNL     1      13.296  -3.248  -1.064  1.00  0.00           C  
HETATM   67  C   UNL     1      14.445  -2.678  -0.546  1.00  0.00           C  
HETATM   68  C   UNL     1      14.435  -1.364  -0.116  1.00  0.00           C  
HETATM   69  C   UNL     1      13.279  -0.614  -0.208  1.00  0.00           C  
HETATM   70  S   UNL     1      -1.391  -2.726   2.625  1.00  0.00           S  
HETATM   71  S   UNL     1      15.964  -3.656  -0.431  1.00  0.00           S  
HETATM   72  O   UNL     1      -2.808  -3.542   2.910  1.00  0.00           O  
HETATM   73  O   UNL     1      -0.655  -4.151   2.198  1.00  0.00           O  
HETATM   74  C   UNL     1      -2.221  -1.724   1.366  1.00  0.00           C  
HETATM   75  O   UNL     1      17.357  -4.552  -0.325  1.00  0.00           O  
HETATM   76  O   UNL     1      15.142  -4.834   0.401  1.00  0.00           O  
HETATM   77  C   UNL     1      16.765  -2.304   0.468  1.00  0.00           C  
HETATM   78  H   UNL     1       8.614   4.763  -0.902  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.699  -0.579   0.810  1.00  0.00           H  
HETATM   80  H   UNL     1       1.397   0.641   0.390  1.00  0.00           H  
HETATM   81  H   UNL     1      11.238  -2.951  -1.559  1.00  0.00           H  
HETATM   82  H   UNL     1      13.306  -4.275  -1.399  1.00  0.00           H  
HETATM   83  H   UNL     1      15.334  -0.923   0.289  1.00  0.00           H  
HETATM   84  H   UNL     1      13.274   0.413   0.124  1.00  0.00           H  
HETATM   85  H   UNL     1       6.176   4.874  -0.558  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.500  -2.999   3.311  1.00  0.00           H  
HETATM   87  H   UNL     1       0.273  -4.055   1.946  1.00  0.00           H  
HETATM   88  H   UNL     1       2.933   1.513   0.196  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.764  -1.909   0.394  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.184  -1.815   2.248  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.122  -0.668   1.619  1.00  0.00           H  
HETATM   92  H   UNL     1      11.762   1.324  -0.088  1.00  0.00           H  
HETATM   93  H   UNL     1      18.124  -4.137  -0.743  1.00  0.00           H  
HETATM   94  H   UNL     1      12.974   5.267  -0.903  1.00  0.00           H  
HETATM   95  H   UNL     1      14.207  -4.636   0.542  1.00  0.00           H  
HETATM   96  H   UNL     1      11.071   5.969  -1.566  1.00  0.00           H  
HETATM   97  H   UNL     1      17.788  -2.588   0.714  1.00  0.00           H  
HETATM   98  H   UNL     1       6.877  -0.708   0.994  1.00  0.00           H  
HETATM   99  H   UNL     1      16.775  -1.410  -0.154  1.00  0.00           H  
HETATM  100  H   UNL     1       5.281  -0.783   0.472  1.00  0.00           H  
HETATM  101  H   UNL     1      16.213  -2.102   1.386  1.00  0.00           H  
HETATM  102  H   UNL     1      10.774   2.114  -2.473  1.00  0.00           H  
HETATM  103  H   UNL     1       1.271   4.513   0.267  1.00  0.00           H  
HETATM  104  H   UNL     1       4.374   5.648  -1.377  1.00  0.00           H  
HETATM  105  H   UNL     1       2.751   2.978   1.778  1.00  0.00           H  
HETATM  106  H   UNL     1      10.144  -0.829  -1.176  1.00  0.00           H  
HETATM  107  H   UNL     1       4.508  -0.015   2.099  1.00  0.00           H  
HETATM  108  H   UNL     1       8.629  -0.536   1.212  1.00  0.00           H  
HETATM  109  H   UNL     1       3.364  -1.740   3.349  1.00  0.00           H  
HETATM  110  H   UNL     1       1.260  -2.947   3.767  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.202  -5.831  -2.942  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.337  -2.899  -0.477  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.620  -1.962   0.867  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.243  -1.037   1.511  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.595  -0.572  -1.186  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.596   1.060   1.394  1.00  0.00           H  
HETATM  117  H   UNL     1     -14.287   2.210   0.711  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.921   3.227   1.229  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.458   0.882   0.136  1.00  0.00           H  
HETATM  120  H   UNL     1     -13.734  -0.394   0.072  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.811   2.978   0.019  1.00  0.00           H  
HETATM  122  H   UNL     1     -12.949   1.525  -1.303  1.00  0.00           H  
HETATM  123  H   UNL     1     -11.840  -7.416  -2.723  1.00  0.00           H  
HETATM  124  H   UNL     1     -12.742  -6.243  -3.712  1.00  0.00           H  
HETATM  125  H   UNL     1     -11.080  -6.694  -4.161  1.00  0.00           H  
HETATM  126  H   UNL     1     -13.902  -5.501  -1.110  1.00  0.00           H  
HETATM  127  H   UNL     1     -14.125  -3.868  -1.781  1.00  0.00           H  
HETATM  128  H   UNL     1     -13.820  -5.243  -2.869  1.00  0.00           H  
HETATM  129  H   UNL     1     -15.923   6.623  -1.061  1.00  0.00           H  
HETATM  130  H   UNL     1     -13.420   6.331   0.841  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.801  -3.174   1.165  1.00  0.00           H  
CONECT    1   17   17   20   23                                       
CONECT    1   28                                                      
CONECT    2    3   15   15                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   34                                            
CONECT    6    5    7    7   26                                       
CONECT    7    6    6                                                 
CONECT    8   26   26   29                                            
CONECT    9   10   10   29  111                                       
CONECT   10    9    9   11   30                                       
CONECT   11   10   12   12   31                                       
CONECT   12   11   11   32  112                                       
CONECT   13   35   35   36   44                                       
CONECT   14   16   18  113  114                                       
CONECT   15    2    2   16   26                                       
CONECT   16   14   15   32                                            
CONECT   17    1    1                                                 
CONECT   18   14   19   21  115                                       
CONECT   19   18  119                                                 
CONECT   20    1  129                                                 
CONECT   21   18   22   24  116                                       
CONECT   22   21  120                                                 
CONECT   23    1  130                                                 
CONECT   24   21   25   27  122                                       
CONECT   25   24  121                                                 
CONECT   26    6    8    8   15                                       
CONECT   27   24   28  117  118                                       
CONECT   28    1   27                                                 
CONECT   29    8    9   32   32                                       
CONECT   30   10  123  124  125                                       
CONECT   31   11  126  127  128                                       
CONECT   32   12   16   29   29                                       
CONECT   33   34   74   90  131                                       
CONECT   34    5   33                                                 
CONECT   35   13   13   39   78                                       
CONECT   36   13   37   37   47                                       
CONECT   37   36   36   38   59                                       
CONECT   38   37   39   39   40                                       
CONECT   39   35   38   38   43                                       
CONECT   40   38   41   41   49                                       
CONECT   41   40   40   42   46                                       
CONECT   42   41   43   43   45                                       
CONECT   43   39   42   42   85                                       
CONECT   44   13   48   50   51                                       
CONECT   45   42   52   53   54                                       
CONECT   46   41   56   88                                            
CONECT   47   36   55   92                                            
CONECT   48   44   94                                                 
CONECT   49   40   98  100                                            
CONECT   50   44   96                                                 
CONECT   51   44  102                                                 
CONECT   52   45  103                                                 
CONECT   53   45  104                                                 
CONECT   54   45  105                                                 
CONECT   55   47   58  106                                            
CONECT   56   46   57  107                                            
CONECT   57   56   60   60   64                                       
CONECT   58   55   65   65   69                                       
CONECT   59   37  108                                                 
CONECT   60   57   57   61  109                                       
CONECT   61   60   62   62  110                                       
CONECT   62   61   61   63   70                                       
CONECT   63   62   64   64   79                                       
CONECT   64   57   63   63   80                                       
CONECT   65   58   58   66   81                                       
CONECT   66   65   67   67   82                                       
CONECT   67   66   66   68   71                                       
CONECT   68   67   69   69   83                                       
CONECT   69   58   68   68   84                                       
CONECT   70   62   72   73   74                                       
CONECT   71   67   75   76   77                                       
CONECT   72   70   86                                                 
CONECT   73   70   87                                                 
CONECT   74   33   70   89   91                                       
CONECT   75   71   93                                                 
CONECT   76   71   95                                                 
CONECT   77   71   97   99  101                                       
CONECT   78   35                                                      
CONECT   79   63                                                      
CONECT   80   64                                                      
CONECT   81   65                                                      
CONECT   82   66                                                      
CONECT   83   68                                                      
CONECT   84   69                                                      
CONECT   85   43                                                      
CONECT   86   72                                                      
CONECT   87   73                                                      
CONECT   88   46                                                      
CONECT   89   74                                                      
CONECT   90   33                                                      
CONECT   91   74                                                      
CONECT   92   47                                                      
CONECT   93   75                                                      
CONECT   94   48                                                      
CONECT   95   76                                                      
CONECT   96   50                                                      
CONECT   97   77                                                      
CONECT   98   49                                                      
CONECT   99   77                                                      
CONECT  100   49                                                      
CONECT  101   77                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   55                                                      
CONECT  107   56                                                      
CONECT  108   59                                                      
CONECT  109   60                                                      
CONECT  110   61                                                      
CONECT  111    9                                                      
CONECT  112   12                                                      
CONECT  113   14                                                      
CONECT  114   14                                                      
CONECT  115   18                                                      
CONECT  116   21                                                      
CONECT  117   27                                                      
CONECT  118   27                                                      
CONECT  119   19                                                      
CONECT  120   22                                                      
CONECT  121   25                                                      
CONECT  122   24                                                      
CONECT  123   30                                                      
CONECT  124   30                                                      
CONECT  125   30                                                      
CONECT  126   31                                                      
CONECT  127   31                                                      
CONECT  128   31                                                      
CONECT  129   20                                                      
CONECT  130   23                                                      
CONECT  131   33                                                      
MASTER        0    0    0    0    0    0    0    0  131    0  131    0
END
