COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.353   2.260  -0.083  1.00  0.00           C  
HETATM    2  C   UNL     1       3.627  -0.610  -0.679  1.00  0.00           C  
HETATM    3  C   UNL     1       3.893  -1.998  -1.265  1.00  0.00           C  
HETATM    4  C   UNL     1       2.176  -0.502  -0.285  1.00  0.00           C  
HETATM    5  C   UNL     1       0.138   1.673   0.219  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.244   3.295  -2.750  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.063   2.577  -2.728  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.473   2.365   0.785  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.738   2.550  -0.525  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.491  -1.327  -1.364  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.284  -1.812   2.811  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.199  -1.967   0.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.352  -2.751   1.605  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.427   1.099   0.816  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.880  -3.856   1.543  1.00  0.00           S  
HETATM   16  S   UNL     1       5.639  -2.129  -1.739  1.00  0.00           S  
HETATM   17  O   UNL     1      -8.566  -0.066   1.058  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.849   0.344   0.601  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.968  -0.726  -3.116  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.339  -0.770  -2.028  1.00  0.00           O  
HETATM   21  O   UNL     1       1.876  -0.278   0.868  1.00  0.00           O  
HETATM   22  O   UNL     1       6.174   0.269  -0.746  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.831  -1.941  -0.213  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.978  -0.278   0.598  1.00  0.00           N  
HETATM   25  N   UNL     1       1.212  -0.653  -1.215  1.00  0.00           N  
HETATM   26  N   UNL     1       4.470  -0.409   0.502  1.00  0.00           N  
HETATM   27  N   UNL     1      11.703   2.117  -0.043  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.844  -2.635   0.637  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.661  -0.551   0.505  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.844   1.110   1.428  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.649  -3.562   1.617  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.562   1.823  -0.507  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.056  -1.334  -1.825  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.198  -0.547  -0.832  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.723   1.843  -1.609  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.079   3.281  -1.650  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.621   0.923  -0.845  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.380   1.775   1.496  1.00  0.00           C  
HETATM   39  C   UNL     1       2.049   2.948   0.893  1.00  0.00           C  
HETATM   40  C   UNL     1       0.317   2.463   2.472  1.00  0.00           C  
HETATM   41  C   UNL     1       1.529   3.055   2.169  1.00  0.00           C  
HETATM   42  C   UNL     1       5.734   0.036   0.360  1.00  0.00           C  
HETATM   43  C   UNL     1       6.601   0.243   1.575  1.00  0.00           C  
HETATM   44  C   UNL     1       5.757  -3.814  -2.401  1.00  0.00           C  
HETATM   45  C   UNL     1       7.957   0.741   1.145  1.00  0.00           C  
HETATM   46  C   UNL     1       8.965  -0.162   0.858  1.00  0.00           C  
HETATM   47  C   UNL     1       8.189   2.100   1.032  1.00  0.00           C  
HETATM   48  C   UNL     1      10.208   0.291   0.464  1.00  0.00           C  
HETATM   49  C   UNL     1       9.431   2.559   0.638  1.00  0.00           C  
HETATM   50  C   UNL     1      10.447   1.655   0.355  1.00  0.00           C  
HETATM   51  H   UNL     1       1.760   2.177  -1.080  1.00  0.00           H  
HETATM   52  H   UNL     1       3.859   0.150  -1.425  1.00  0.00           H  
HETATM   53  H   UNL     1       3.661  -2.758  -0.519  1.00  0.00           H  
HETATM   54  H   UNL     1       3.266  -2.148  -2.144  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.511   3.870  -3.624  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.406   2.590  -3.586  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.326   3.233   1.428  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.536   2.206   0.603  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.335  -2.396   3.730  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.346  -1.256   2.786  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.121  -1.115   2.777  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.836  -2.428  -0.473  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.729   1.626   1.465  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.489  -0.068   1.347  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.272   0.191  -3.140  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.628  -0.994   0.521  1.00  0.00           H  
HETATM   67  H   UNL     1       1.452  -0.832  -2.138  1.00  0.00           H  
HETATM   68  H   UNL     1       4.118  -0.596   1.387  1.00  0.00           H  
HETATM   69  H   UNL     1      12.411   1.484  -0.243  1.00  0.00           H  
HETATM   70  H   UNL     1      11.869   3.069  -0.118  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.372  -1.937   1.329  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.095  -3.140   0.026  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.800   1.211   2.512  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.502  -2.885   1.569  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.668  -4.231   0.757  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.702  -4.149   2.534  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.697  -2.361  -1.882  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.334  -0.956   0.169  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.800   1.282  -1.592  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.997   3.850  -1.664  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.690   0.995  -0.647  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.402   1.356  -1.821  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.329   1.317   1.732  1.00  0.00           H  
HETATM   84  H   UNL     1       3.001   3.403   0.658  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.088   2.543   3.470  1.00  0.00           H  
HETATM   86  H   UNL     1       2.073   3.592   2.931  1.00  0.00           H  
HETATM   87  H   UNL     1       6.136   0.978   2.232  1.00  0.00           H  
HETATM   88  H   UNL     1       6.713  -0.701   2.107  1.00  0.00           H  
HETATM   89  H   UNL     1       5.479  -4.529  -1.626  1.00  0.00           H  
HETATM   90  H   UNL     1       5.083  -3.919  -3.251  1.00  0.00           H  
HETATM   91  H   UNL     1       6.781  -4.008  -2.722  1.00  0.00           H  
HETATM   92  H   UNL     1       8.778  -1.222   0.943  1.00  0.00           H  
HETATM   93  H   UNL     1       7.399   2.802   1.253  1.00  0.00           H  
HETATM   94  H   UNL     1      10.995  -0.415   0.241  1.00  0.00           H  
HETATM   95  H   UNL     1       9.611   3.621   0.551  1.00  0.00           H  
CONECT    1    5    5   39   51                                       
CONECT    2    4    3   26   52                                       
CONECT    3   16    2   53   54                                       
CONECT    4   21   21   25    2                                       
CONECT    5   38   37    1    1                                       
CONECT    6   36    7    7   55                                       
CONECT    7   35    6    6   56                                       
CONECT    8   30    9   57   58                                       
CONECT    9    8   32   36   36                                       
CONECT   10   23   20   20   33                                       
CONECT   11   13   59   60   61                                       
CONECT   12   13   29   23   62                                       
CONECT   13   11   31   15   12                                       
CONECT   14   30   24   32   63                                       
CONECT   15   13   28                                                 
CONECT   16    3   44                                                 
CONECT   17   30   64                                                 
CONECT   18   29   29                                                 
CONECT   19   33   65                                                 
CONECT   20   10   10                                                 
CONECT   21    4    4                                                 
CONECT   22   42   42                                                 
CONECT   23   12   28   10                                            
CONECT   24   14   29   66                                            
CONECT   25   34    4   67                                            
CONECT   26    2   42   68                                            
CONECT   27   50   69   70                                            
CONECT   28   15   23   71   72                                       
CONECT   29   24   18   18   12                                       
CONECT   30    8   17   14   73                                       
CONECT   31   13   74   75   76                                       
CONECT   32   14    9   35   35                                       
CONECT   33   10   19   34   77                                       
CONECT   34   33   37   25   78                                       
CONECT   35   32   32    7   79                                       
CONECT   36    9    9    6   80                                       
CONECT   37   34    5   81   82                                       
CONECT   38   40   40    5   83                                       
CONECT   39   41   41    1   84                                       
CONECT   40   38   38   41   85                                       
CONECT   41   40   39   39   86                                       
CONECT   42   26   43   22   22                                       
CONECT   43   42   45   87   88                                       
CONECT   44   16   89   90   91                                       
CONECT   45   46   43   47   47                                       
CONECT   46   48   48   45   92                                       
CONECT   47   45   45   49   93                                       
CONECT   48   46   46   50   94                                       
CONECT   49   50   50   47   95                                       
CONECT   50   48   27   49   49                                       
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
