COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.431   5.027   0.136  1.00  0.00           C  
HETATM    2  C   UNL     1       7.291   5.739   1.339  1.00  0.00           C  
HETATM    3  C   UNL     1       7.314   7.143   1.285  1.00  0.00           C  
HETATM    4  C   UNL     1       7.595   7.016  -1.003  1.00  0.00           C  
HETATM    5  C   UNL     1       7.205   3.628   1.826  1.00  0.00           C  
HETATM    6  N   UNL     1       7.466   7.729   0.101  1.00  0.00           N  
HETATM    7  N   UNL     1       7.579   5.700  -1.000  1.00  0.00           N  
HETATM    8  C   UNL     1     -14.672   4.100  -0.596  1.00  0.00           C  
HETATM    9  C   UNL     1     -15.239   5.155   0.296  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.246   4.711   1.738  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.946   3.671   2.067  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.689   2.848   1.060  1.00  0.00           C  
HETATM   13  O   UNL     1     -15.772   2.157   0.225  1.00  0.00           O  
HETATM   14  C   UNL     1     -14.961   2.846  -0.594  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.278   2.027  -1.659  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.028   1.406  -1.090  1.00  0.00           C  
HETATM   17  O   UNL     1     -12.722   1.608   0.066  1.00  0.00           O  
HETATM   18  S   UNL     1     -12.040   0.415  -2.077  1.00  0.00           S  
HETATM   19  C   UNL     1     -10.745  -0.020  -0.889  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.717  -0.929  -1.565  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.670  -1.281  -0.603  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.651  -2.079  -0.979  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.601  -2.506  -2.113  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.573  -2.442   0.010  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.545  -3.351  -0.666  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.497  -3.703   0.296  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.478  -4.502  -0.080  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.477  -5.003  -1.184  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.342  -4.770   0.872  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.693  -4.307   2.177  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.089  -4.036   0.391  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.626  -4.634  -0.939  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.410  -2.552   0.198  1.00  0.00           C  
HETATM   34  C   UNL     1       0.022  -4.186   1.432  1.00  0.00           C  
HETATM   35  O   UNL     1       1.192  -3.500   0.982  1.00  0.00           O  
HETATM   36  P   UNL     1       2.559  -3.449   1.831  1.00  0.00           P  
HETATM   37  O   UNL     1       2.997  -4.827   2.145  1.00  0.00           O  
HETATM   38  O   UNL     1       2.311  -2.640   3.201  1.00  0.00           O  
HETATM   39  O   UNL     1       3.699  -2.707   0.969  1.00  0.00           O  
HETATM   40  P   UNL     1       5.308  -2.681   1.030  1.00  0.00           P  
HETATM   41  O   UNL     1       5.747  -2.639   2.442  1.00  0.00           O  
HETATM   42  O   UNL     1       5.893  -4.004   0.324  1.00  0.00           O  
HETATM   43  O   UNL     1       5.852  -1.376   0.260  1.00  0.00           O  
HETATM   44  C   UNL     1       7.234  -1.012   0.226  1.00  0.00           C  
HETATM   45  C   UNL     1       7.403   0.273  -0.586  1.00  0.00           C  
HETATM   46  O   UNL     1       6.838   1.396   0.125  1.00  0.00           O  
HETATM   47  C   UNL     1       8.901   0.618  -0.742  1.00  0.00           C  
HETATM   48  O   UNL     1       9.386   0.180  -2.013  1.00  0.00           O  
HETATM   49  P   UNL     1      10.583  -0.885  -2.175  1.00  0.00           P  
HETATM   50  O   UNL     1      10.777  -1.242  -3.733  1.00  0.00           O  
HETATM   51  O   UNL     1      11.946  -0.252  -1.596  1.00  0.00           O  
HETATM   52  O   UNL     1      10.253  -2.116  -1.424  1.00  0.00           O  
HETATM   53  C   UNL     1       8.943   2.159  -0.648  1.00  0.00           C  
HETATM   54  O   UNL     1       9.456   2.721  -1.858  1.00  0.00           O  
HETATM   55  C   UNL     1       7.466   2.564  -0.447  1.00  0.00           C  
HETATM   56  N   UNL     1       7.369   3.698   0.474  1.00  0.00           N  
HETATM   57  N   UNL     1       7.158   4.826   2.331  1.00  0.00           N  
HETATM   58  N   UNL     1       7.180   7.899   2.437  1.00  0.00           N  
HETATM   59  H   UNL     1       7.717   7.532  -1.943  1.00  0.00           H  
HETATM   60  H   UNL     1       7.121   2.713   2.393  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.943   4.425  -1.324  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.639   6.060   0.204  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.261   5.372  -0.015  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.679   5.251   2.483  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.994   3.386   3.108  1.00  0.00           H  
HETATM   66  H   UNL     1     -17.321   2.127   1.578  1.00  0.00           H  
HETATM   67  H   UNL     1     -17.311   3.501   0.448  1.00  0.00           H  
HETATM   68  H   UNL     1     -14.951   1.242  -2.001  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.014   2.671  -2.498  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.253   0.888  -0.539  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.190  -0.542  -0.042  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.209  -1.836  -1.915  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.272  -0.407  -2.412  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.709  -0.940   0.304  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.081  -1.534   0.361  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.018  -2.964   0.858  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.037  -4.258  -1.016  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.100  -2.829  -1.513  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.537  -3.362   1.203  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.143  -5.842   0.908  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.884  -3.360   2.221  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.472  -5.707  -0.821  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.385  -4.458  -1.701  1.00  0.00           H  
HETATM   84  H   UNL     1       0.309  -4.164  -1.243  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.517  -2.029  -0.145  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.201  -2.445  -0.543  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.740  -2.126   1.146  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.307  -3.760   2.379  1.00  0.00           H  
HETATM   89  H   UNL     1       0.251  -5.243   1.569  1.00  0.00           H  
HETATM   90  H   UNL     1       2.022  -1.726   3.071  1.00  0.00           H  
HETATM   91  H   UNL     1       5.645  -4.097  -0.606  1.00  0.00           H  
HETATM   92  H   UNL     1       7.591  -0.849   1.243  1.00  0.00           H  
HETATM   93  H   UNL     1       7.810  -1.813  -0.237  1.00  0.00           H  
HETATM   94  H   UNL     1       6.935   0.167  -1.565  1.00  0.00           H  
HETATM   95  H   UNL     1       9.482   0.168   0.063  1.00  0.00           H  
HETATM   96  H   UNL     1      11.483  -1.879  -3.905  1.00  0.00           H  
HETATM   97  H   UNL     1      12.224   0.560  -2.043  1.00  0.00           H  
HETATM   98  H   UNL     1       9.547   2.474   0.203  1.00  0.00           H  
HETATM   99  H   UNL     1       9.504   3.686  -1.855  1.00  0.00           H  
HETATM  100  H   UNL     1       7.007   2.811  -1.405  1.00  0.00           H  
HETATM  101  H   UNL     1       7.069   7.460   3.294  1.00  0.00           H  
HETATM  102  H   UNL     1       7.197   8.867   2.386  1.00  0.00           H  
CONECT    1    2   56    7    7                                       
CONECT    2   57    3    3    1                                       
CONECT    3   58    2    2    6                                       
CONECT    4    6    6    7   59                                       
CONECT    5   57   57   56   60                                       
CONECT    6    3    4    4                                            
CONECT    7    1    1    4                                            
CONECT    8   14   14    9   61                                       
CONECT    9    8   10   62   63                                       
CONECT   10    9   11   11   64                                       
CONECT   11   12   10   10   65                                       
CONECT   12   13   11   66   67                                       
CONECT   13   14   12                                                 
CONECT   14   15    8    8   13                                       
CONECT   15   16   14   68   69                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   20   22   74                                            
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   75   76                                       
CONECT   25   24   26   77   78                                       
CONECT   26   27   25   79                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   31   27   30   80                                       
CONECT   30   29   81                                                 
CONECT   31   33   32   34   29                                       
CONECT   32   31   82   83   84                                       
CONECT   33   31   85   86   87                                       
CONECT   34   31   35   88   89                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   36   39                                                      
CONECT   37   36   36                                                 
CONECT   38   36   90                                                 
CONECT   39   36   40                                                 
CONECT   40   39   41   41   43                                       
CONECT   40   42                                                      
CONECT   41   40   40                                                 
CONECT   42   40   91                                                 
CONECT   43   40   44                                                 
CONECT   44   43   45   92   93                                       
CONECT   45   44   46   47   94                                       
CONECT   46   55   45                                                 
CONECT   47   45   53   48   95                                       
CONECT   48   47   49                                                 
CONECT   49   48   52   52   51                                       
CONECT   49   50                                                      
CONECT   50   49   96                                                 
CONECT   51   49   97                                                 
CONECT   52   49   49                                                 
CONECT   53   55   47   54   98                                       
CONECT   54   53   99                                                 
CONECT   55   56   46   53  100                                       
CONECT   56    5    1   55                                            
CONECT   57    5    5    2                                            
CONECT   58    3  101  102                                            
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   38                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   47                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   55                                                      
CONECT  101   58                                                      
CONECT  102   58                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
