COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.917  -1.468  -3.044  1.00  0.00           C  
HETATM    2  C   UNL     1       1.253   2.119  -2.233  1.00  0.00           C  
HETATM    3  C   UNL     1       1.699  -4.969   1.179  1.00  0.00           C  
HETATM    4  C   UNL     1       4.932   2.158  -1.507  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.080   1.523  -1.252  1.00  0.00           C  
HETATM    6  C   UNL     1       3.814   4.288   1.196  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.248   2.635  -1.365  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.046   1.311  -0.429  1.00  0.00           C  
HETATM    9  N   UNL     1       8.828   0.594   0.140  1.00  0.00           N  
HETATM   10  O   UNL     1       7.173   0.828   1.602  1.00  0.00           O  
HETATM   11  O   UNL     1       0.010  -2.343  -0.728  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.537  -2.586  -0.042  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.709  -1.183   1.402  1.00  0.00           O  
HETATM   14  O   UNL     1       1.329   4.317   1.761  1.00  0.00           O  
HETATM   15  C   UNL     1       3.886  -3.263   0.169  1.00  0.00           C  
HETATM   16  C   UNL     1       2.487  -2.978  -0.105  1.00  0.00           C  
HETATM   17  C   UNL     1       4.833  -2.377  -0.154  1.00  0.00           C  
HETATM   18  C   UNL     1       3.726   1.878   0.616  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.328  -3.270   0.239  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.341   0.934   0.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.432  -0.297   0.092  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.763   0.517  -0.296  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.425   0.935   1.148  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.793   2.726   0.516  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.071   0.103   0.458  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.012  -3.791   0.590  1.00  0.00           N  
HETATM   27  O   UNL     1       4.917  -1.024  -2.125  1.00  0.00           O  
HETATM   28  O   UNL     1       0.982   1.798  -0.867  1.00  0.00           O  
HETATM   29  O   UNL     1       6.615   0.116  -0.424  1.00  0.00           O  
HETATM   30  C   UNL     1       7.526   0.524   0.480  1.00  0.00           C  
HETATM   31  C   UNL     1       1.462  -3.735   0.357  1.00  0.00           C  
HETATM   32  C   UNL     1       4.579   1.402  -0.254  1.00  0.00           C  
HETATM   33  C   UNL     1       0.118  -3.280   0.044  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.081  -2.898   0.576  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.811  -0.493   0.865  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.074  -0.840   0.529  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.395  -2.264   0.223  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.804  -1.489   0.972  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.388   1.380   0.106  1.00  0.00           C  
HETATM   40  C   UNL     1       3.029   3.202   0.453  1.00  0.00           C  
HETATM   41  C   UNL     1       4.498  -1.039  -0.757  1.00  0.00           C  
HETATM   42  C   UNL     1       1.620   3.109   1.056  1.00  0.00           C  
HETATM   43  C   UNL     1       0.602   2.919  -0.072  1.00  0.00           C  
HETATM   44  C   UNL     1       5.232   0.065   0.011  1.00  0.00           C  
HETATM   45  N   UNL     1      -9.635   1.699  -0.301  1.00  0.00           N  
HETATM   46  H   UNL     1       4.313  -1.426  -4.059  1.00  0.00           H  
HETATM   47  H   UNL     1       3.634  -2.493  -2.806  1.00  0.00           H  
HETATM   48  H   UNL     1       3.043  -0.822  -2.969  1.00  0.00           H  
HETATM   49  H   UNL     1       0.366   2.566  -2.683  1.00  0.00           H  
HETATM   50  H   UNL     1       2.081   2.826  -2.283  1.00  0.00           H  
HETATM   51  H   UNL     1       1.516   1.211  -2.774  1.00  0.00           H  
HETATM   52  H   UNL     1       2.771  -5.115   1.314  1.00  0.00           H  
HETATM   53  H   UNL     1       1.223  -4.855   2.152  1.00  0.00           H  
HETATM   54  H   UNL     1       1.277  -5.834   0.667  1.00  0.00           H  
HETATM   55  H   UNL     1       4.379   3.097  -1.533  1.00  0.00           H  
HETATM   56  H   UNL     1       6.002   2.367  -1.516  1.00  0.00           H  
HETATM   57  H   UNL     1       4.671   1.559  -2.379  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.934   2.194  -1.155  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.377   1.933  -1.977  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.423   0.545  -1.590  1.00  0.00           H  
HETATM   61  H   UNL     1       4.821   4.355   0.784  1.00  0.00           H  
HETATM   62  H   UNL     1       3.309   5.247   1.077  1.00  0.00           H  
HETATM   63  H   UNL     1       3.871   4.036   2.254  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.864   3.532  -1.303  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.198   2.905  -1.247  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.393   2.161  -2.336  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.190   0.766  -1.362  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.325   0.674   0.410  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.670   2.205  -0.431  1.00  0.00           H  
HETATM   70  H   UNL     1       9.109   0.351  -0.756  1.00  0.00           H  
HETATM   71  H   UNL     1       9.484   0.887   0.792  1.00  0.00           H  
HETATM   72  H   UNL     1       1.939   4.506   2.486  1.00  0.00           H  
HETATM   73  H   UNL     1       4.186  -4.196   0.622  1.00  0.00           H  
HETATM   74  H   UNL     1       2.227  -2.122  -0.723  1.00  0.00           H  
HETATM   75  H   UNL     1       5.870  -2.630   0.033  1.00  0.00           H  
HETATM   76  H   UNL     1       3.513   1.283   1.506  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.542  -4.297  -0.020  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.349   1.385   1.079  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.968   1.658  -0.638  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.806  -1.020   0.816  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.424  -0.747  -0.901  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.755   0.067  -1.288  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.136  -0.207   0.429  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.287   1.591   1.102  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.978   0.998   2.143  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.446   3.529   0.168  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.735   2.773   1.606  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.874   1.033   0.650  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.083  -4.704   0.906  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.609   0.625   0.041  1.00  0.00           H  
HETATM   91  H   UNL     1       2.939   3.474  -0.595  1.00  0.00           H  
HETATM   92  H   UNL     1       3.429  -0.857  -0.706  1.00  0.00           H  
HETATM   93  H   UNL     1       1.572   2.264   1.739  1.00  0.00           H  
HETATM   94  H   UNL     1       0.603   3.815  -0.701  1.00  0.00           H  
HETATM   95  H   UNL     1       5.194  -0.149   1.078  1.00  0.00           H  
CONECT    1   27   46   47   48                                       
CONECT    2   28   49   50   51                                       
CONECT    3   31   52   53   54                                       
CONECT    4   32   55   56   57                                       
CONECT    5   39   58   59   60                                       
CONECT    6   40   61   62   63                                       
CONECT    7   45   64   65   66                                       
CONECT    8   45   67   68   69                                       
CONECT    9   30   70   71                                            
CONECT   10   30   30                                                 
CONECT   11   33   33                                                 
CONECT   12   37   37                                                 
CONECT   13   38   38                                                 
CONECT   14   42   72                                                 
CONECT   15   16   17   17   73                                       
CONECT   16   31   31   15   74                                       
CONECT   17   41   15   15   75                                       
CONECT   18   32   32   40   76                                       
CONECT   19   34   34   37   77                                       
CONECT   20   21   22   78   79                                       
CONECT   21   25   20   80   81                                       
CONECT   22   45   20   82   83                                       
CONECT   23   35   39   84   85                                       
CONECT   24   39   43   86   87                                       
CONECT   25   36   21   88                                            
CONECT   26   33   34   89                                            
CONECT   27    1   41                                                 
CONECT   28   43    2                                                 
CONECT   29   30   44                                                 
CONECT   30    9   29   10   10                                       
CONECT   31   33    3   16   16                                       
CONECT   32   44    4   18   18                                       
CONECT   33   11   11   26   31                                       
CONECT   34   26   19   19   38                                       
CONECT   35   38   36   36   23                                       
CONECT   36   37   35   35   25                                       
CONECT   37   19   12   12   36                                       
CONECT   38   34   13   13   35                                       
CONECT   39    5   23   24   90                                       
CONECT   40   18    6   42   91                                       
CONECT   41   27   44   17   92                                       
CONECT   42   40   43   14   93                                       
CONECT   43   24   42   28   94                                       
CONECT   44   29   41   32   95                                       
CONECT   45    7    8   22                                            
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
