COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -3.501   0.584   9.323  1.00  0.00           N  
HETATM    2  C   UNK     1      -3.741  -0.697   8.647  1.00  0.00           C  
HETATM    3  C   UNK     1      -3.461  -1.829   9.602  1.00  0.00           C  
HETATM    4  O   UNK     1      -2.632  -1.694  10.471  1.00  0.00           O  
HETATM    5  O   UNK     1      -4.130  -2.986   9.486  1.00  0.00           O  
HETATM    6  C   UNK     1      -2.819  -0.813   7.432  1.00  0.00           C  
HETATM    7  C   UNK     1      -3.104   0.335   6.463  1.00  0.00           C  
HETATM    8  C   UNK     1      -2.195   0.220   5.266  1.00  0.00           C  
HETATM    9  O   UNK     1      -1.398  -0.690   5.196  1.00  0.00           O  
HETATM   10  N   UNK     1      -2.269   1.130   4.275  1.00  0.00           N  
HETATM   11  C   UNK     1      -1.385   1.018   3.112  1.00  0.00           C  
HETATM   12  C   UNK     1      -0.111   1.779   3.374  1.00  0.00           C  
HETATM   13  O   UNK     1       0.210   2.708   2.664  1.00  0.00           O  
HETATM   14  C   UNK     1      -2.084   1.603   1.882  1.00  0.00           C  
HETATM   15  S   UNK     1      -2.810   0.259   0.903  1.00  0.00           S  
HETATM   16  N   UNK     1       0.675   1.402   4.425  1.00  0.00           N  
HETATM   17  C   UNK     1       1.907   2.200   4.615  1.00  0.00           C  
HETATM   18  C   UNK     1       3.099   1.322   4.329  1.00  0.00           C  
HETATM   19  O   UNK     1       3.111   0.166   4.694  1.00  0.00           O  
HETATM   20  N   UNK     1       0.519  -1.170  -4.157  1.00  0.00           N  
HETATM   21  C   UNK     1       1.732  -2.001  -4.012  1.00  0.00           C  
HETATM   22  C   UNK     1       2.816  -1.168  -3.378  1.00  0.00           C  
HETATM   23  O   UNK     1       2.601  -0.018  -3.058  1.00  0.00           O  
HETATM   24  C   UNK     1      -0.334  -1.151  -3.098  1.00  0.00           C  
HETATM   25  O   UNK     1      -0.093  -1.799  -2.102  1.00  0.00           O  
HETATM   26  C   UNK     1      -1.585  -0.314  -3.180  1.00  0.00           C  
HETATM   27  N   UNK     1      -2.356  -0.702  -4.364  1.00  0.00           N  
HETATM   28  C   UNK     1      -2.431  -0.538  -1.925  1.00  0.00           C  
HETATM   29  S   UNK     1      -2.539   1.009  -0.985  1.00  0.00           S  
HETATM   30  C   UNK     1      -3.293  -0.043  -9.192  1.00  0.00           C  
HETATM   31  C   UNK     1      -2.860   0.790 -10.370  1.00  0.00           C  
HETATM   32  O   UNK     1      -1.959   0.411 -11.080  1.00  0.00           O  
HETATM   33  O   UNK     1      -3.474   1.956 -10.629  1.00  0.00           O  
HETATM   34  N   UNK     1      -3.058  -1.463  -9.486  1.00  0.00           N  
HETATM   35  C   UNK     1      -2.489   0.361  -7.956  1.00  0.00           C  
HETATM   36  C   UNK     1      -2.929  -0.485  -6.760  1.00  0.00           C  
HETATM   37  C   UNK     1      -2.137  -0.086  -5.542  1.00  0.00           C  
HETATM   38  O   UNK     1      -1.302   0.789  -5.623  1.00  0.00           O  
HETATM   39  N   UNK     1       4.044  -1.728  -3.169  1.00  0.00           N  
HETATM   40  C   UNK     1       5.049  -0.837  -2.546  1.00  0.00           C  
HETATM   41  C   UNK     1       5.959  -1.677  -1.648  1.00  0.00           C  
HETATM   42  N   UNK     1       7.860  -0.632  -0.511  1.00  0.00           N  
HETATM   43  C   UNK     1       7.403  -1.191  -1.790  1.00  0.00           C  
HETATM   44  C   UNK     1       6.782   0.237  -0.020  1.00  0.00           C  
HETATM   45  C   UNK     1       6.657   0.085   1.497  1.00  0.00           C  
HETATM   46  C   UNK     1       5.948   1.310   2.076  1.00  0.00           C  
HETATM   47  C   UNK     1       5.299   0.939   3.411  1.00  0.00           C  
HETATM   48  N   UNK     1       4.160   1.846   3.658  1.00  0.00           N  
HETATM   49  H   UNK     1      -3.600   1.304   8.623  1.00  0.00           H  
HETATM   50  H   UNK     1      -2.533   0.585   9.607  1.00  0.00           H  
HETATM   51  H   UNK     1      -4.780  -0.746   8.321  1.00  0.00           H  
HETATM   52  H   UNK     1      -3.950  -3.713  10.098  1.00  0.00           H  
HETATM   53  H   UNK     1      -1.780  -0.764   7.759  1.00  0.00           H  
HETATM   54  H   UNK     1      -2.997  -1.765   6.931  1.00  0.00           H  
HETATM   55  H   UNK     1      -4.143   0.285   6.137  1.00  0.00           H  
HETATM   56  H   UNK     1      -2.926   1.286   6.965  1.00  0.00           H  
HETATM   57  H   UNK     1      -2.906   1.859   4.332  1.00  0.00           H  
HETATM   58  H   UNK     1      -1.152  -0.030   2.932  1.00  0.00           H  
HETATM   59  H   UNK     1      -2.872   2.285   2.202  1.00  0.00           H  
HETATM   60  H   UNK     1      -1.359   2.144   1.275  1.00  0.00           H  
HETATM   61  H   UNK     1       0.441   0.663   5.008  1.00  0.00           H  
HETATM   62  H   UNK     1       1.955   2.560   5.642  1.00  0.00           H  
HETATM   63  H   UNK     1       1.904   3.047   3.928  1.00  0.00           H  
HETATM   64  H   UNK     1       0.341  -0.665  -4.966  1.00  0.00           H  
HETATM   65  H   UNK     1       1.513  -2.860  -3.378  1.00  0.00           H  
HETATM   66  H   UNK     1       2.061  -2.342  -4.994  1.00  0.00           H  
HETATM   67  H   UNK     1      -1.314   0.738  -3.252  1.00  0.00           H  
HETATM   68  H   UNK     1      -3.023  -1.403  -4.300  1.00  0.00           H  
HETATM   69  H   UNK     1      -1.968  -1.307  -1.307  1.00  0.00           H  
HETATM   70  H   UNK     1      -3.432  -0.858  -2.214  1.00  0.00           H  
HETATM   71  H   UNK     1      -4.355   0.117  -9.004  1.00  0.00           H  
HETATM   72  H   UNK     1      -3.195   2.491 -11.385  1.00  0.00           H  
HETATM   73  H   UNK     1      -2.068  -1.565  -9.652  1.00  0.00           H  
HETATM   74  H   UNK     1      -3.263  -1.972  -8.639  1.00  0.00           H  
HETATM   75  H   UNK     1      -2.663   1.415  -7.738  1.00  0.00           H  
HETATM   76  H   UNK     1      -1.427   0.200  -8.144  1.00  0.00           H  
HETATM   77  H   UNK     1      -2.755  -1.539  -6.978  1.00  0.00           H  
HETATM   78  H   UNK     1      -3.991  -0.324  -6.572  1.00  0.00           H  
HETATM   79  H   UNK     1       4.243  -2.646  -3.412  1.00  0.00           H  
HETATM   80  H   UNK     1       5.644  -0.357  -3.323  1.00  0.00           H  
HETATM   81  H   UNK     1       4.544  -0.079  -1.948  1.00  0.00           H  
HETATM   82  H   UNK     1       5.641  -1.575  -0.611  1.00  0.00           H  
HETATM   83  H   UNK     1       5.898  -2.724  -1.946  1.00  0.00           H  
HETATM   84  H   UNK     1       7.927  -1.404   0.135  1.00  0.00           H  
HETATM   85  H   UNK     1       8.043  -2.028  -2.069  1.00  0.00           H  
HETATM   86  H   UNK     1       7.454  -0.422  -2.561  1.00  0.00           H  
HETATM   87  H   UNK     1       7.013   1.274  -0.263  1.00  0.00           H  
HETATM   88  H   UNK     1       5.842  -0.047  -0.493  1.00  0.00           H  
HETATM   89  H   UNK     1       6.080  -0.810   1.725  1.00  0.00           H  
HETATM   90  H   UNK     1       7.651  -0.001   1.936  1.00  0.00           H  
HETATM   91  H   UNK     1       6.672   2.109   2.234  1.00  0.00           H  
HETATM   92  H   UNK     1       5.180   1.648   1.380  1.00  0.00           H  
HETATM   93  H   UNK     1       4.943  -0.090   3.371  1.00  0.00           H  
HETATM   94  H   UNK     1       6.029   1.044   4.213  1.00  0.00           H  
HETATM   95  H   UNK     1       4.169   2.768   3.357  1.00  0.00           H  
CONECT    1    2   49   50                                            
CONECT    2    1    3    6   51                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   52                                                 
CONECT    6    2    7   53   54                                       
CONECT    7    6    8   55   56                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   57                                            
CONECT   11   10   12   14   58                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   59   60                                       
CONECT   15   14   29                                                 
CONECT   16   12   17   61                                            
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   19   48                                       
CONECT   19   18   18                                                 
CONECT   20   21   24   64                                            
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   23   39                                       
CONECT   23   22   22                                                 
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   28   67                                       
CONECT   27   26   37   68                                            
CONECT   28   26   29   69   70                                       
CONECT   29   15   28                                                 
CONECT   30   31   34   35   71                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   72                                                 
CONECT   34   30   73   74                                            
CONECT   35   30   36   75   76                                       
CONECT   36   35   37   77   78                                       
CONECT   37   27   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   22   40   79                                            
CONECT   40   39   41   80   81                                       
CONECT   41   40   43   82   83                                       
CONECT   42   43   44   84                                            
CONECT   43   41   42   85   86                                       
CONECT   44   42   45   87   88                                       
CONECT   45   44   46   89   90                                       
CONECT   46   45   47   91   92                                       
CONECT   47   46   48   93   94                                       
CONECT   48   18   47   95                                            
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
