COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.378  -1.082  -0.576  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.096  -0.599   0.657  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.424  -0.365   1.757  1.00  0.00           C  
HETATM    4  C   UNL     1       0.036  -0.726   1.839  1.00  0.00           C  
HETATM    5  C   UNL     1       0.264  -1.665   3.026  1.00  0.00           C  
HETATM    6  C   UNL     1       0.866   0.546   2.029  1.00  0.00           C  
HETATM    7  C   UNL     1       2.354   0.195   1.987  1.00  0.00           C  
HETATM    8  C   UNL     1       3.184   1.466   2.176  1.00  0.00           C  
HETATM    9  C   UNL     1       4.645   1.106   2.258  1.00  0.00           C  
HETATM   10  C   UNL     1       5.504   1.667   1.445  1.00  0.00           C  
HETATM   11  C   UNL     1       6.965   1.307   1.526  1.00  0.00           C  
HETATM   12  C   UNL     1       7.784   2.561   1.840  1.00  0.00           C  
HETATM   13  C   UNL     1       7.422   0.721   0.189  1.00  0.00           C  
HETATM   14  C   UNL     1       7.522  -1.240  -1.039  1.00  0.00           C  
HETATM   15  C   UNL     1       7.062  -0.919  -2.463  1.00  0.00           C  
HETATM   16  C   UNL     1       8.039  -0.953  -4.652  1.00  0.00           C  
HETATM   17  C   UNL     1       5.605  -1.352  -2.638  1.00  0.00           C  
HETATM   18  C   UNL     1       8.987  -0.791  -0.845  1.00  0.00           C  
HETATM   19  C   UNL     1       8.909   0.290   0.261  1.00  0.00           C  
HETATM   20  C   UNL     1       9.239  -0.306   1.631  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.587  -0.383   0.624  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.294  -1.724   0.406  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.989  -2.659   1.577  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.697  -3.998   1.357  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.207  -3.769   1.267  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.512  -2.829   0.099  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.023  -2.600   0.010  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.806  -1.491   0.323  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.100  -0.555  -0.855  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.764  -1.260  -2.170  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.242   0.682  -0.705  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.791   1.943  -0.808  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.075   3.218  -0.684  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.133   4.283  -0.876  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.201   2.262  -1.067  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.709  -0.241  -1.682  1.00  0.00           O  
HETATM   37  O   UNL     1       6.724  -0.511  -0.092  1.00  0.00           O  
HETATM   38  O   UNL     1       7.883  -1.621  -3.398  1.00  0.00           O  
HETATM   39  O   UNL     1       2.971   2.343   1.068  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.925   0.517  -0.468  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.892   3.383  -0.472  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.388   3.589  -1.099  1.00  0.00           O  
HETATM   43  O   UNL     1      -8.078   1.436  -1.228  1.00  0.00           O  
HETATM   44  H   UNL     1      -0.301  -1.051  -0.405  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.681  -2.106  -0.795  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.918   0.085   2.606  1.00  0.00           H  
HETATM   47  H   UNL     1       0.340  -1.224   0.918  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.039  -1.167   3.947  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.326  -2.571   2.891  1.00  0.00           H  
HETATM   50  H   UNL     1       1.321  -1.926   3.085  1.00  0.00           H  
HETATM   51  H   UNL     1       0.636   1.251   1.230  1.00  0.00           H  
HETATM   52  H   UNL     1       0.626   0.996   2.992  1.00  0.00           H  
HETATM   53  H   UNL     1       2.584  -0.511   2.785  1.00  0.00           H  
HETATM   54  H   UNL     1       2.595  -0.256   1.024  1.00  0.00           H  
HETATM   55  H   UNL     1       2.880   1.964   3.097  1.00  0.00           H  
HETATM   56  H   UNL     1       4.983   0.385   2.988  1.00  0.00           H  
HETATM   57  H   UNL     1       5.166   2.388   0.715  1.00  0.00           H  
HETATM   58  H   UNL     1       7.114   0.569   2.315  1.00  0.00           H  
HETATM   59  H   UNL     1       8.840   2.300   1.899  1.00  0.00           H  
HETATM   60  H   UNL     1       7.635   3.298   1.051  1.00  0.00           H  
HETATM   61  H   UNL     1       7.458   2.978   2.793  1.00  0.00           H  
HETATM   62  H   UNL     1       7.269   1.441  -0.616  1.00  0.00           H  
HETATM   63  H   UNL     1       7.433  -2.310  -0.854  1.00  0.00           H  
HETATM   64  H   UNL     1       7.146   0.154  -2.639  1.00  0.00           H  
HETATM   65  H   UNL     1       8.498   0.022  -4.489  1.00  0.00           H  
HETATM   66  H   UNL     1       8.675  -1.549  -5.305  1.00  0.00           H  
HETATM   67  H   UNL     1       7.062  -0.821  -5.117  1.00  0.00           H  
HETATM   68  H   UNL     1       5.521  -2.424  -2.462  1.00  0.00           H  
HETATM   69  H   UNL     1       4.979  -0.816  -1.924  1.00  0.00           H  
HETATM   70  H   UNL     1       5.278  -1.123  -3.652  1.00  0.00           H  
HETATM   71  H   UNL     1       9.603  -1.628  -0.517  1.00  0.00           H  
HETATM   72  H   UNL     1       9.381  -0.365  -1.768  1.00  0.00           H  
HETATM   73  H   UNL     1       9.568   1.128   0.033  1.00  0.00           H  
HETATM   74  H   UNL     1      10.257  -0.695   1.622  1.00  0.00           H  
HETATM   75  H   UNL     1       9.152   0.468   2.394  1.00  0.00           H  
HETATM   76  H   UNL     1       8.543  -1.115   1.852  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.913   0.051   1.569  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.941  -2.174  -0.521  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.913  -2.824   1.641  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.343  -2.209   2.504  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.342  -4.448   0.430  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.480  -4.665   2.191  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.710  -4.722   1.108  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.562  -3.321   2.195  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.157  -3.276  -0.830  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.377  -2.152   0.938  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.240  -1.931  -0.823  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.526  -3.554  -0.150  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.158  -1.043   1.253  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.154  -0.274  -0.847  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.370  -2.161  -2.265  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.975  -0.591  -3.005  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.708  -1.530  -2.178  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.203   4.904   0.016  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.888   4.899  -1.741  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.281  -0.494  -2.511  1.00  0.00           H  
HETATM   97  H   UNL     1       3.220   1.965   0.214  1.00  0.00           H  
CONECT    1   36    2   44   45                                       
CONECT    2   21    1    3    3                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    6    5   47                                       
CONECT    5    4   48   49   50                                       
CONECT    6    7    4   51   52                                       
CONECT    7    8    6   53   54                                       
CONECT    8    9   39    7   55                                       
CONECT    9   10   10    8   56                                       
CONECT   10   11    9    9   57                                       
CONECT   11   13   12   10   58                                       
CONECT   12   11   59   60   61                                       
CONECT   13   19   37   11   62                                       
CONECT   14   15   18   37   63                                       
CONECT   15   17   38   14   64                                       
CONECT   16   38   65   66   67                                       
CONECT   17   15   68   69   70                                       
CONECT   18   14   19   71   72                                       
CONECT   19   18   20   13   73                                       
CONECT   20   19   74   75   76                                       
CONECT   21   40   22    2   77                                       
CONECT   22   28   21   23   78                                       
CONECT   23   22   24   79   80                                       
CONECT   24   25   23   81   82                                       
CONECT   25   26   24   83   84                                       
CONECT   26   27   28   25   85                                       
CONECT   27   26   86   87   88                                       
CONECT   28   29   26   22   89                                       
CONECT   29   31   30   28   90                                       
CONECT   30   29   91   92   93                                       
CONECT   31   32   32   29   40                                       
CONECT   32   35   33   31   31                                       
CONECT   33   34   32   41   41                                       
CONECT   34   42   33   94   95                                       
CONECT   35   42   43   43   32                                       
CONECT   36    1   96                                                 
CONECT   37   14   13                                                 
CONECT   38   15   16                                                 
CONECT   39    8   97                                                 
CONECT   40   31   21                                                 
CONECT   41   33   33                                                 
CONECT   42   34   35                                                 
CONECT   43   35   35                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   36                                                      
CONECT   97   39                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
