COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.809  -1.108   0.188  1.00  0.00           C  
HETATM    2  N   UNL     1       7.676  -7.830  -0.475  1.00  0.00           N  
HETATM    3  O   UNL     1       6.326   2.705  -2.238  1.00  0.00           O  
HETATM    4  P   UNL     1       5.821   2.672  -0.847  1.00  0.00           P  
HETATM    5  C   UNL     1     -14.008  -1.581   0.969  1.00  0.00           C  
HETATM    6  O   UNL     1     -14.120  -1.293   2.143  1.00  0.00           O  
HETATM    7  C   UNL     1       7.780  -2.710   0.395  1.00  0.00           C  
HETATM    8  S   UNL     1     -11.726  -0.138   1.273  1.00  0.00           S  
HETATM    9  C   UNL     1       7.766  -7.190   0.677  1.00  0.00           C  
HETATM   10  O   UNL     1       6.405   3.933  -0.034  1.00  0.00           O  
HETATM   11  P   UNL     1       3.133   3.562  -1.723  1.00  0.00           P  
HETATM   12  C   UNL     1     -15.038  -2.390   0.312  1.00  0.00           C  
HETATM   13  O   UNL     1     -17.931  -4.666  -1.556  1.00  0.00           O  
HETATM   14  C   UNL     1       9.256  -2.359   0.688  1.00  0.00           C  
HETATM   15  O   UNL     1       9.697  -3.007   1.882  1.00  0.00           O  
HETATM   16  C   UNL     1     -10.364   0.335   0.172  1.00  0.00           C  
HETATM   17  N   UNL     1       7.782  -5.876   0.756  1.00  0.00           N  
HETATM   18  O   UNL     1       4.213   2.739  -0.858  1.00  0.00           O  
HETATM   19  C   UNL     1     -14.911  -2.725  -1.043  1.00  0.00           C  
HETATM   20  O   UNL     1     -16.288  -2.520   2.351  1.00  0.00           O  
HETATM   21  C   UNL     1       9.246  -0.825   0.876  1.00  0.00           C  
HETATM   22  O   UNL     1       9.682  -0.479   2.192  1.00  0.00           O  
HETATM   23  P   UNL     1      10.953   0.468   2.474  1.00  0.00           P  
HETATM   24  C   UNL     1      -9.347   1.173   0.949  1.00  0.00           C  
HETATM   25  C   UNL     1       7.707  -5.130  -0.342  1.00  0.00           C  
HETATM   26  O   UNL     1       3.618   4.945  -1.930  1.00  0.00           O  
HETATM   27  C   UNL     1     -15.872  -3.478  -1.653  1.00  0.00           C  
HETATM   28  C   UNL     1       7.766  -0.431   0.674  1.00  0.00           C  
HETATM   29  O   UNL     1       7.208  -1.493  -0.131  1.00  0.00           O  
HETATM   30  N   UNL     1      -8.247   1.555   0.060  1.00  0.00           N  
HETATM   31  C   UNL     1       7.610  -5.764  -1.592  1.00  0.00           C  
HETATM   32  O   UNL     1       2.930   2.845  -3.150  1.00  0.00           O  
HETATM   33  C   UNL     1     -16.982  -3.919  -0.937  1.00  0.00           C  
HETATM   34  C   UNL     1       7.667   0.905  -0.063  1.00  0.00           C  
HETATM   35  O   UNL     1       6.298   1.308  -0.136  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.228   2.300   0.531  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.221   2.655   1.690  1.00  0.00           O  
HETATM   38  C   UNL     1       7.596  -7.169  -1.625  1.00  0.00           C  
HETATM   39  N   UNL     1       7.503  -7.848  -2.827  1.00  0.00           N  
HETATM   40  O   UNL     1       1.729   3.598  -0.935  1.00  0.00           O  
HETATM   41  C   UNL     1     -17.124  -3.596   0.405  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.097   2.694  -0.384  1.00  0.00           C  
HETATM   43  N   UNL     1       7.548  -4.789  -2.530  1.00  0.00           N  
HETATM   44  O   UNL     1      12.142  -0.085   1.789  1.00  0.00           O  
HETATM   45  C   UNL     1     -16.155  -2.838   1.039  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.079   3.531   0.394  1.00  0.00           C  
HETATM   47  C   UNL     1       7.600  -3.625  -1.950  1.00  0.00           C  
HETATM   48  O   UNL     1      10.653   1.949   1.918  1.00  0.00           O  
HETATM   49  N   UNL     1      -3.980   3.913  -0.496  1.00  0.00           N  
HETATM   50  N   UNL     1       7.698  -3.783  -0.599  1.00  0.00           N  
HETATM   51  O   UNL     1      11.230   0.536   4.059  1.00  0.00           O  
HETATM   52  C   UNL     1      -2.961   4.659  -0.025  1.00  0.00           C  
HETATM   53  O   UNL     1      -2.998   5.092   1.107  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.774   4.955  -0.906  1.00  0.00           C  
HETATM   55  O   UNL     1      -2.075   4.582  -2.252  1.00  0.00           O  
HETATM   56  C   UNL     1      -0.563   4.158  -0.415  1.00  0.00           C  
HETATM   57  C   UNL     1       0.599   4.342  -1.393  1.00  0.00           C  
HETATM   58  C   UNL     1      -0.149   4.661   0.969  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.929   2.675  -0.331  1.00  0.00           C  
HETATM   60  H   UNL     1     -12.263  -1.969  -0.196  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.140  -0.487  -0.644  1.00  0.00           H  
HETATM   62  H   UNL     1       7.270  -3.003   1.313  1.00  0.00           H  
HETATM   63  H   UNL     1       7.830  -7.766   1.588  1.00  0.00           H  
HETATM   64  H   UNL     1       6.115   3.975   0.887  1.00  0.00           H  
HETATM   65  H   UNL     1     -17.771  -5.619  -1.513  1.00  0.00           H  
HETATM   66  H   UNL     1       9.889  -2.639  -0.154  1.00  0.00           H  
HETATM   67  H   UNL     1       9.665  -3.973   1.840  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.878  -0.562  -0.212  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.756   0.920  -0.660  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.054  -2.387  -1.605  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.896  -3.165   2.954  1.00  0.00           H  
HETATM   72  H   UNL     1       9.877  -0.345   0.127  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.832   2.070   1.333  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.955   0.588   1.781  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.770  -3.734  -2.697  1.00  0.00           H  
HETATM   76  H   UNL     1       7.255  -0.373   1.635  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.252   1.271  -0.868  1.00  0.00           H  
HETATM   78  H   UNL     1       2.612   1.934  -3.091  1.00  0.00           H  
HETATM   79  H   UNL     1       8.239   1.661   0.475  1.00  0.00           H  
HETATM   80  H   UNL     1       8.067   0.795  -1.071  1.00  0.00           H  
HETATM   81  H   UNL     1       7.495  -8.818  -2.836  1.00  0.00           H  
HETATM   82  H   UNL     1       7.445  -7.355  -3.660  1.00  0.00           H  
HETATM   83  H   UNL     1     -17.987  -3.941   0.955  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.611   1.796  -0.768  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.489   3.278  -1.216  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.565   4.428   0.777  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.687   2.946   1.225  1.00  0.00           H  
HETATM   88  H   UNL     1       7.570  -2.675  -2.462  1.00  0.00           H  
HETATM   89  H   UNL     1       9.884   2.373   2.324  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.985   3.629  -1.423  1.00  0.00           H  
HETATM   91  H   UNL     1      11.983   1.091   4.303  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.548   6.021  -0.865  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.286   3.645  -2.363  1.00  0.00           H  
HETATM   94  H   UNL     1       0.859   5.399  -1.454  1.00  0.00           H  
HETATM   95  H   UNL     1       0.303   3.984  -2.380  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.947   4.459   1.683  1.00  0.00           H  
HETATM   97  H   UNL     1       0.759   4.148   1.285  1.00  0.00           H  
HETATM   98  H   UNL     1       0.036   5.734   0.925  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.224   2.317  -1.317  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.067   2.108   0.019  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.757   2.544   0.366  1.00  0.00           H  
CONECT    1    5    8   60   61                                       
CONECT    2   38   38    9                                            
CONECT    3    4    4                                                 
CONECT    4    3    3   18   35                                       
CONECT    4   10                                                      
CONECT    5    1   12    6    6                                       
CONECT    6    5    5                                                 
CONECT    7   50   29   14   62                                       
CONECT    8    1   16                                                 
CONECT    9    2   17   17   63                                       
CONECT   10    4   64                                                 
CONECT   11   40   26   26   32                                       
CONECT   11   18                                                      
CONECT   12    5   45   45   19                                       
CONECT   13   33   65                                                 
CONECT   14    7   15   21   66                                       
CONECT   15   14   67                                                 
CONECT   16    8   24   68   69                                       
CONECT   17    9    9   25                                            
CONECT   18    4   11                                                 
CONECT   19   12   27   27   70                                       
CONECT   20   45   71                                                 
CONECT   21   14   28   22   72                                       
CONECT   22   21   23                                                 
CONECT   23   22   44   44   51                                       
CONECT   23   48                                                      
CONECT   24   16   30   73   74                                       
CONECT   25   17   31   31   50                                       
CONECT   26   11   11                                                 
CONECT   27   19   19   33   75                                       
CONECT   28   21   29   34   76                                       
CONECT   29    7   28                                                 
CONECT   30   24   36   77                                            
CONECT   31   25   25   38   43                                       
CONECT   32   11   78                                                 
CONECT   33   13   27   41   41                                       
CONECT   34   28   35   79   80                                       
CONECT   35    4   34                                                 
CONECT   36   30   42   37   37                                       
CONECT   37   36   36                                                 
CONECT   38    2    2   31   39                                       
CONECT   39   38   81   82                                            
CONECT   40   11   57                                                 
CONECT   41   33   33   45   83                                       
CONECT   42   36   46   84   85                                       
CONECT   43   31   47   47                                            
CONECT   44   23   23                                                 
CONECT   45   12   12   20   41                                       
CONECT   46   42   49   86   87                                       
CONECT   47   43   43   50   88                                       
CONECT   48   23   89                                                 
CONECT   49   46   52   90                                            
CONECT   50    7   25   47                                            
CONECT   51   23   91                                                 
CONECT   52   49   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   56   55   92                                       
CONECT   55   54   93                                                 
CONECT   56   54   59   58   57                                       
CONECT   57   40   56   94   95                                       
CONECT   58   56   96   97   98                                       
CONECT   59   56   99  100  101                                       
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   49                                                      
CONECT   91   51                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   57                                                      
CONECT   95   57                                                      
CONECT   96   58                                                      
CONECT   97   58                                                      
CONECT   98   58                                                      
CONECT   99   59                                                      
CONECT  100   59                                                      
CONECT  101   59                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
