COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.708  -2.641   1.469  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.745  -3.522   1.225  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.314  -3.613  -0.037  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.859  -2.832  -1.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.812  -1.934  -0.837  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.228  -1.834   0.438  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.708  -3.410   3.720  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.096  -0.973  -1.677  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.170  -0.389  -0.874  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.217   0.647  -1.298  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.162  -2.557   2.712  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.221   1.044  -2.447  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.255  -0.904   0.370  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.318   2.110  -0.857  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.339   1.158  -0.412  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.426   3.395  -0.035  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.778   4.096  -0.301  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.458   3.072   1.475  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.951   1.505  -0.667  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.470   4.112   1.081  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.840   0.390  -0.205  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.386   4.024   2.037  1.00  0.00           O  
HETATM   23  C   UNL     1       2.861   2.134  -0.375  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.851   2.205  -1.011  1.00  0.00           N  
HETATM   25  O   UNL     1       3.693   2.035  -1.253  1.00  0.00           O  
HETATM   26  C   UNL     1       1.513   2.735  -0.680  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.119  -0.416  -2.112  1.00  0.00           C  
HETATM   28  C   UNL     1       0.827   0.754  -2.039  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.855  -2.564  -2.246  1.00  0.00           C  
HETATM   30  C   UNL     1       0.478   1.618  -0.826  1.00  0.00           C  
HETATM   31  O   UNL     1       1.587   3.478  -1.898  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.301  -0.307  -2.821  1.00  0.00           C  
HETATM   33  C   UNL     1       0.197  -1.602  -1.475  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.169  -1.380  -2.888  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.668  -2.677  -1.547  1.00  0.00           C  
HETATM   36  C   UNL     1       4.799   0.035   0.358  1.00  0.00           C  
HETATM   37  N   UNL     1       3.143   1.706   0.871  1.00  0.00           N  
HETATM   38  O   UNL     1       3.922  -0.542  -0.251  1.00  0.00           O  
HETATM   39  C   UNL     1       4.456   1.203   1.246  1.00  0.00           C  
HETATM   40  C   UNL     1       4.533   0.745   2.720  1.00  0.00           C  
HETATM   41  C   UNL     1       2.143   1.719   1.957  1.00  0.00           C  
HETATM   42  C   UNL     1       5.071   1.864   3.615  1.00  0.00           C  
HETATM   43  C   UNL     1       5.381  -0.521   2.859  1.00  0.00           C  
HETATM   44  S   UNL     1       2.761   0.399   3.086  1.00  0.00           S  
HETATM   45  C   UNL     1       6.413  -1.504  -0.624  1.00  0.00           C  
HETATM   46  N   UNL     1       6.079  -0.369   0.240  1.00  0.00           N  
HETATM   47  C   UNL     1       8.149  -0.192  -2.524  1.00  0.00           C  
HETATM   48  C   UNL     1       8.729  -1.124  -1.491  1.00  0.00           C  
HETATM   49  C   UNL     1      10.093  -1.348  -1.451  1.00  0.00           C  
HETATM   50  C   UNL     1      10.625  -2.203  -0.504  1.00  0.00           C  
HETATM   51  C   UNL     1       9.794  -2.832   0.403  1.00  0.00           C  
HETATM   52  C   UNL     1       8.431  -2.608   0.363  1.00  0.00           C  
HETATM   53  C   UNL     1       7.524  -3.295   1.352  1.00  0.00           C  
HETATM   54  C   UNL     1       7.899  -1.749  -0.580  1.00  0.00           C  
HETATM   55  H   UNL     1      -9.115  -4.147   2.025  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.123  -4.307  -0.211  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.307  -2.909  -2.041  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.183  -3.243   4.660  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.767  -3.187   3.850  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.590  -4.451   3.418  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.270  -0.771  -2.723  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.471   2.339  -1.912  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.383   0.895   0.521  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.598   4.065  -0.265  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.617   5.112  -0.659  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.368   3.527  -1.019  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.814   2.054   1.638  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.468   3.201   1.912  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.024   5.041   1.217  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.135   3.254   1.181  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.940   3.097  -1.380  1.00  0.00           H  
HETATM   72  H   UNL     1       1.220   3.398   0.134  1.00  0.00           H  
HETATM   73  H   UNL     1       1.850   0.389  -1.944  1.00  0.00           H  
HETATM   74  H   UNL     1       0.738   1.350  -2.947  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.533  -3.403  -2.298  1.00  0.00           H  
HETATM   76  H   UNL     1       0.481   1.000   0.072  1.00  0.00           H  
HETATM   77  H   UNL     1       1.844   2.950  -2.666  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.546   0.618  -3.322  1.00  0.00           H  
HETATM   79  H   UNL     1       1.121  -1.688  -0.922  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.096  -1.292  -3.434  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.421  -3.603  -1.049  1.00  0.00           H  
HETATM   82  H   UNL     1       5.191   1.991   1.087  1.00  0.00           H  
HETATM   83  H   UNL     1       2.131   2.686   2.460  1.00  0.00           H  
HETATM   84  H   UNL     1       1.153   1.472   1.574  1.00  0.00           H  
HETATM   85  H   UNL     1       4.410   2.729   3.552  1.00  0.00           H  
HETATM   86  H   UNL     1       5.115   1.515   4.647  1.00  0.00           H  
HETATM   87  H   UNL     1       6.070   2.146   3.284  1.00  0.00           H  
HETATM   88  H   UNL     1       6.392  -0.322   2.502  1.00  0.00           H  
HETATM   89  H   UNL     1       5.419  -0.820   3.907  1.00  0.00           H  
HETATM   90  H   UNL     1       4.938  -1.322   2.268  1.00  0.00           H  
HETATM   91  H   UNL     1       5.888  -2.393  -0.274  1.00  0.00           H  
HETATM   92  H   UNL     1       6.111  -1.283  -1.648  1.00  0.00           H  
HETATM   93  H   UNL     1       6.780   0.093   0.726  1.00  0.00           H  
HETATM   94  H   UNL     1       7.898  -0.756  -3.422  1.00  0.00           H  
HETATM   95  H   UNL     1       7.249   0.276  -2.126  1.00  0.00           H  
HETATM   96  H   UNL     1       8.880   0.578  -2.771  1.00  0.00           H  
HETATM   97  H   UNL     1      10.742  -0.856  -2.160  1.00  0.00           H  
HETATM   98  H   UNL     1      11.690  -2.378  -0.473  1.00  0.00           H  
HETATM   99  H   UNL     1      10.210  -3.500   1.143  1.00  0.00           H  
HETATM  100  H   UNL     1       7.417  -2.672   2.240  1.00  0.00           H  
HETATM  101  H   UNL     1       6.546  -3.454   0.899  1.00  0.00           H  
HETATM  102  H   UNL     1       7.955  -4.256   1.633  1.00  0.00           H  
CONECT    1   11    6    6    2                                       
CONECT    2    1    3    3   55                                       
CONECT    3    2    2    4   56                                       
CONECT    4    5    5    3   57                                       
CONECT    5    6    8    4    4                                       
CONECT    6   13    1    1    5                                       
CONECT    7   11   58   59   60                                       
CONECT    8    9    9    5   61                                       
CONECT    9   10   13    8    8                                       
CONECT   10   15   12   12    9                                       
CONECT   11    7    1                                                 
CONECT   12   10   10                                                 
CONECT   13    9    6                                                 
CONECT   14   16   19   15   62                                       
CONECT   15   14   10   63                                            
CONECT   16   17   18   14   64                                       
CONECT   17   20   16   65   66                                       
CONECT   18   22   16   67   68                                       
CONECT   19   21   21   14   24                                       
CONECT   20   17   22   69   70                                       
CONECT   21   19   19                                                 
CONECT   22   20   18                                                 
CONECT   23   37   26   25   25                                       
CONECT   24   19   30   71                                            
CONECT   25   23   23                                                 
CONECT   26   23   30   31   72                                       
CONECT   27   28   33   33   32                                       
CONECT   28   30   27   73   74                                       
CONECT   29   35   35   34   75                                       
CONECT   30   24   26   28   76                                       
CONECT   31   26   77                                                 
CONECT   32   27   34   34   78                                       
CONECT   33   27   27   35   79                                       
CONECT   34   32   32   29   80                                       
CONECT   35   33   29   29   81                                       
CONECT   36   39   38   38   46                                       
CONECT   37   41   39   23                                            
CONECT   38   36   36                                                 
CONECT   39   40   37   36   82                                       
CONECT   40   44   42   43   39                                       
CONECT   41   44   37   83   84                                       
CONECT   42   40   85   86   87                                       
CONECT   43   40   88   89   90                                       
CONECT   44   40   41                                                 
CONECT   45   46   54   91   92                                       
CONECT   46   36   45   93                                            
CONECT   47   48   94   95   96                                       
CONECT   48   54   47   49   49                                       
CONECT   49   48   48   50   97                                       
CONECT   50   51   51   49   98                                       
CONECT   51   52   50   50   99                                       
CONECT   52   53   54   54   51                                       
CONECT   53   52  100  101  102                                       
CONECT   54   45   52   52   48                                       
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   53                                                      
CONECT  101   53                                                      
CONECT  102   53                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
