COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -2.613   0.748  -0.180  1.00  0.00           N  
HETATM    2  N   UNL     1       7.930  -2.780  -0.013  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.630   0.943   1.934  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.132   0.408   3.212  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.355   0.595   1.480  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.892   1.096   0.276  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.627   0.501   0.704  1.00  0.00           C  
HETATM    8  C   UNL     1       0.644  -0.197   1.417  1.00  0.00           C  
HETATM    9  C   UNL     1       5.260  -1.673   2.271  1.00  0.00           C  
HETATM   10  C   UNL     1       7.580  -2.402   2.780  1.00  0.00           C  
HETATM   11  C   UNL     1       8.713  -0.477  -1.300  1.00  0.00           C  
HETATM   12  C   UNL     1       8.996   2.264  -1.075  1.00  0.00           C  
HETATM   13  C   UNL     1       9.148   3.758  -0.945  1.00  0.00           C  
HETATM   14  C   UNL     1       9.720   4.327  -2.245  1.00  0.00           C  
HETATM   15  C   UNL     1      10.447   6.413  -3.414  1.00  0.00           C  
HETATM   16  C   UNL     1       9.897   0.060  -0.829  1.00  0.00           C  
HETATM   17  C   UNL     1       4.457  -1.624  -0.011  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.702   2.152   1.606  1.00  0.00           N  
HETATM   19  C   UNL     1     -10.171  -1.322  -0.510  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.460   3.293  -0.447  1.00  0.00           O  
HETATM   21  C   UNL     1     -10.010  -0.123   0.157  1.00  0.00           C  
HETATM   22  C   UNL     1       2.931  -0.929   1.831  1.00  0.00           C  
HETATM   23  C   UNL     1       4.240  -1.418   1.357  1.00  0.00           C  
HETATM   24  C   UNL     1       6.496  -2.129   1.820  1.00  0.00           C  
HETATM   25  C   UNL     1       6.705  -2.328   0.443  1.00  0.00           C  
HETATM   26  C   UNL     1       7.670   0.358  -1.658  1.00  0.00           C  
HETATM   27  C   UNL     1       7.812   1.728  -1.546  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.137   0.830  -0.335  1.00  0.00           C  
HETATM   29  C   UNL     1       9.874   5.844  -2.114  1.00  0.00           C  
HETATM   30  C   UNL     1      10.036   1.430  -0.711  1.00  0.00           C  
HETATM   31  C   UNL     1       5.678  -2.069  -0.460  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.692   1.945  -0.483  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.432   1.799   1.163  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.952   2.294  -0.043  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.426   0.582  -1.495  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.588  -0.617  -2.162  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.461  -1.570  -1.670  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.637  -2.878  -2.397  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.766  -2.743  -3.421  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.945  -4.071  -4.160  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.074  -3.937  -5.184  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.289   0.002   0.220  1.00  0.00           C  
HETATM   43  N   UNL     1       1.944  -0.682   0.947  1.00  0.00           N  
HETATM   44  O   UNL     1     -10.114   2.557   1.277  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.241   0.713   3.603  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.361  -0.418   3.946  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.815   0.679   1.889  1.00  0.00           O  
HETATM   48  O   UNL     1       2.742  -0.750   3.018  1.00  0.00           O  
HETATM   49  O   UNL     1       8.657  -2.800   2.383  1.00  0.00           O  
HETATM   50  O   UNL     1       7.376  -2.211   4.098  1.00  0.00           O  
HETATM   51  O   UNL     1       9.850  -2.752  -1.564  1.00  0.00           O  
HETATM   52  O   UNL     1       7.523  -2.441  -2.424  1.00  0.00           O  
HETATM   53  S   UNL     1      -8.931   2.359   0.516  1.00  0.00           S  
HETATM   54  S   UNL     1       8.536  -2.223  -1.451  1.00  0.00           S  
HETATM   55  H   UNL     1      -2.440   0.682  -1.132  1.00  0.00           H  
HETATM   56  H   UNL     1       8.435  -3.423   0.509  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.732  -0.063   2.067  1.00  0.00           H  
HETATM   58  H   UNL     1       0.776   0.752   1.936  1.00  0.00           H  
HETATM   59  H   UNL     1       0.209  -0.927   2.099  1.00  0.00           H  
HETATM   60  H   UNL     1       5.093  -1.514   3.327  1.00  0.00           H  
HETATM   61  H   UNL     1       8.173   4.207  -0.750  1.00  0.00           H  
HETATM   62  H   UNL     1       9.823   3.985  -0.121  1.00  0.00           H  
HETATM   63  H   UNL     1      10.694   3.879  -2.440  1.00  0.00           H  
HETATM   64  H   UNL     1       9.044   4.101  -3.070  1.00  0.00           H  
HETATM   65  H   UNL     1      10.556   7.493  -3.320  1.00  0.00           H  
HETATM   66  H   UNL     1      11.421   5.964  -3.608  1.00  0.00           H  
HETATM   67  H   UNL     1       9.771   6.186  -4.238  1.00  0.00           H  
HETATM   68  H   UNL     1      10.713  -0.592  -0.554  1.00  0.00           H  
HETATM   69  H   UNL     1       3.664  -1.425  -0.717  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.868   2.276   2.553  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.849  -2.068  -0.123  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.565   0.071   1.063  1.00  0.00           H  
HETATM   73  H   UNL     1       6.746  -0.061  -2.026  1.00  0.00           H  
HETATM   74  H   UNL     1       6.997   2.380  -1.825  1.00  0.00           H  
HETATM   75  H   UNL     1       8.900   6.292  -1.919  1.00  0.00           H  
HETATM   76  H   UNL     1      10.550   6.070  -1.289  1.00  0.00           H  
HETATM   77  H   UNL     1      10.961   1.849  -0.343  1.00  0.00           H  
HETATM   78  H   UNL     1       5.839  -2.221  -1.517  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.324   2.333  -1.421  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.567   2.954  -0.637  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.744   1.327  -1.879  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.033  -0.810  -3.068  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.710  -3.136  -2.910  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.887  -3.661  -1.681  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.692  -2.485  -2.909  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.516  -1.960  -4.137  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.018  -4.330  -4.672  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.195  -4.854  -3.444  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.000  -3.679  -4.671  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.824  -3.154  -5.900  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.201  -4.883  -5.710  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.422  -0.947  -0.299  1.00  0.00           H  
HETATM   93  H   UNL     1       0.146   0.732  -0.462  1.00  0.00           H  
HETATM   94  H   UNL     1       2.094  -0.825  -0.001  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.734  -0.743   4.777  1.00  0.00           H  
HETATM   96  H   UNL     1       8.116  -2.404   4.689  1.00  0.00           H  
CONECT    1    6    7   55                                            
CONECT    2   25   54   56                                            
CONECT    3    4    5    5   33                                       
CONECT    4   46   45   45    3                                       
CONECT    5    3    3    6   57                                       
CONECT    6    5    1   32   32                                       
CONECT    7    1   42   47   47                                       
CONECT    8   43   42   58   59                                       
CONECT    9   24   24   23   60                                       
CONECT   10   50   49   49   24                                       
CONECT   11   26   16   16   54                                       
CONECT   12   13   27   30   30                                       
CONECT   13   12   14   61   62                                       
CONECT   14   13   29   63   64                                       
CONECT   15   29   65   66   67                                       
CONECT   16   11   11   30   68                                       
CONECT   17   23   23   31   69                                       
CONECT   18   33   53   70                                            
CONECT   19   37   37   21   71                                       
CONECT   20   53   53                                                 
CONECT   21   19   28   28   72                                       
CONECT   22   43   23   48   48                                       
CONECT   23    9   22   17   17                                       
CONECT   24   10    9    9   25                                       
CONECT   25   24    2   31   31                                       
CONECT   26   27   27   11   73                                       
CONECT   27   26   26   12   74                                       
CONECT   28   21   21   35   53                                       
CONECT   29   14   15   75   76                                       
CONECT   30   12   12   16   77                                       
CONECT   31   25   25   17   78                                       
CONECT   32    6    6   34   79                                       
CONECT   33    3   18   34   34                                       
CONECT   34   33   33   32   80                                       
CONECT   35   36   36   28   81                                       
CONECT   36   37   35   35   82                                       
CONECT   37   38   19   19   36                                       
CONECT   38   39   37   83   84                                       
CONECT   39   38   40   85   86                                       
CONECT   40   39   41   87   88                                       
CONECT   41   40   89   90   91                                       
CONECT   42    8    7   92   93                                       
CONECT   43    8   22   94                                            
CONECT   44   53   53                                                 
CONECT   45    4    4                                                 
CONECT   46    4   95                                                 
CONECT   47    7    7                                                 
CONECT   48   22   22                                                 
CONECT   49   10   10                                                 
CONECT   50   10   96                                                 
CONECT   51   54   54                                                 
CONECT   52   54   54                                                 
CONECT   53   28   18   20   20                                       
CONECT   53   44   44                                                 
CONECT   54   11    2   52   52                                       
CONECT   54   51   51                                                 
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    5                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   46                                                      
CONECT   96   50                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
