COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.249   0.279  -2.436  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.281   0.586  -1.261  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.597   0.988   0.728  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.580   0.653  -0.548  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.761   0.359  -1.245  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.962   0.417  -0.600  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.971   0.775   0.762  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.170   0.854   1.487  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.139   1.204   2.803  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.933   1.484   3.441  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.751   1.418   2.771  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.740   1.061   1.409  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.137   0.860  -0.605  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.847   0.683  -1.276  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.103  -0.463  -0.640  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.602  -1.072   0.283  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.021   1.964  -1.141  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.693   3.077  -1.903  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.767   2.887  -2.434  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.101   4.284  -1.994  1.00  0.00           N  
HETATM   21  N   UNL     1       0.116  -0.812  -1.097  1.00  0.00           N  
HETATM   22  C   UNL     1       0.885  -1.853  -0.411  1.00  0.00           C  
HETATM   23  C   UNL     1       0.511  -3.223  -0.979  1.00  0.00           C  
HETATM   24  C   UNL     1       1.205  -4.319  -0.168  1.00  0.00           C  
HETATM   25  C   UNL     1       0.948  -5.678  -0.822  1.00  0.00           C  
HETATM   26  C   UNL     1       0.650  -4.326   1.258  1.00  0.00           C  
HETATM   27  C   UNL     1       1.642  -6.774  -0.011  1.00  0.00           C  
HETATM   28  C   UNL     1       1.344  -5.422   2.069  1.00  0.00           C  
HETATM   29  C   UNL     1       1.088  -6.781   1.415  1.00  0.00           C  
HETATM   30  C   UNL     1       2.380  -1.604  -0.622  1.00  0.00           C  
HETATM   31  O   UNL     1       2.676  -1.637  -2.019  1.00  0.00           O  
HETATM   32  C   UNL     1       2.755  -0.234  -0.053  1.00  0.00           C  
HETATM   33  C   UNL     1       4.273  -0.052  -0.119  1.00  0.00           C  
HETATM   34  C   UNL     1       4.711   0.046  -1.582  1.00  0.00           C  
HETATM   35  C   UNL     1       4.035   1.252  -2.237  1.00  0.00           C  
HETATM   36  C   UNL     1       6.231   0.215  -1.648  1.00  0.00           C  
HETATM   37  C   UNL     1       4.659   1.210   0.607  1.00  0.00           C  
HETATM   38  O   UNL     1       3.803   1.996   0.956  1.00  0.00           O  
HETATM   39  N   UNL     1       5.956   1.466   0.870  1.00  0.00           N  
HETATM   40  C   UNL     1       6.338   2.726   1.513  1.00  0.00           C  
HETATM   41  C   UNL     1       7.857   2.765   1.696  1.00  0.00           C  
HETATM   42  C   UNL     1       8.538   2.662   0.329  1.00  0.00           C  
HETATM   43  C   UNL     1       8.256   4.081   2.367  1.00  0.00           C  
HETATM   44  C   UNL     1       8.295   1.591   2.573  1.00  0.00           C  
HETATM   45  H   UNL     1      -6.720   0.088  -2.289  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.882   0.195  -1.120  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.112   0.640   1.004  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.063   1.264   3.359  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.936   1.759   4.486  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.825   1.639   3.281  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.167   1.176   0.312  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.013   0.467  -2.331  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.945   2.238  -0.089  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.023   1.797  -1.546  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.242   4.437  -1.569  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.533   5.001  -2.484  1.00  0.00           H  
HETATM   57  H   UNL     1       0.484  -0.374  -1.881  1.00  0.00           H  
HETATM   58  H   UNL     1       0.660  -1.828   0.655  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.570  -3.357  -0.922  1.00  0.00           H  
HETATM   60  H   UNL     1       0.830  -3.284  -2.020  1.00  0.00           H  
HETATM   61  H   UNL     1       2.277  -4.126  -0.140  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.124  -5.871  -0.850  1.00  0.00           H  
HETATM   63  H   UNL     1       1.343  -5.672  -1.838  1.00  0.00           H  
HETATM   64  H   UNL     1       0.833  -3.358   1.724  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.422  -4.519   1.230  1.00  0.00           H  
HETATM   66  H   UNL     1       1.459  -7.742  -0.477  1.00  0.00           H  
HETATM   67  H   UNL     1       2.715  -6.581   0.017  1.00  0.00           H  
HETATM   68  H   UNL     1       2.417  -5.229   2.098  1.00  0.00           H  
HETATM   69  H   UNL     1       0.949  -5.428   3.085  1.00  0.00           H  
HETATM   70  H   UNL     1       0.015  -6.974   1.387  1.00  0.00           H  
HETATM   71  H   UNL     1       1.582  -7.562   1.993  1.00  0.00           H  
HETATM   72  H   UNL     1       2.953  -2.379  -0.111  1.00  0.00           H  
HETATM   73  H   UNL     1       2.255  -0.930  -2.527  1.00  0.00           H  
HETATM   74  H   UNL     1       2.270   0.547  -0.638  1.00  0.00           H  
HETATM   75  H   UNL     1       2.426  -0.169   0.984  1.00  0.00           H  
HETATM   76  H   UNL     1       4.761  -0.906   0.350  1.00  0.00           H  
HETATM   77  H   UNL     1       4.424  -0.863  -2.109  1.00  0.00           H  
HETATM   78  H   UNL     1       4.423   1.381  -3.247  1.00  0.00           H  
HETATM   79  H   UNL     1       2.959   1.086  -2.280  1.00  0.00           H  
HETATM   80  H   UNL     1       4.241   2.147  -1.651  1.00  0.00           H  
HETATM   81  H   UNL     1       6.711  -0.611  -1.124  1.00  0.00           H  
HETATM   82  H   UNL     1       6.550   0.220  -2.690  1.00  0.00           H  
HETATM   83  H   UNL     1       6.512   1.157  -1.177  1.00  0.00           H  
HETATM   84  H   UNL     1       6.636   0.817   0.633  1.00  0.00           H  
HETATM   85  H   UNL     1       6.026   3.562   0.887  1.00  0.00           H  
HETATM   86  H   UNL     1       5.853   2.799   2.486  1.00  0.00           H  
HETATM   87  H   UNL     1       8.226   3.499  -0.296  1.00  0.00           H  
HETATM   88  H   UNL     1       9.620   2.690   0.460  1.00  0.00           H  
HETATM   89  H   UNL     1       8.253   1.725  -0.149  1.00  0.00           H  
HETATM   90  H   UNL     1       7.771   4.154   3.340  1.00  0.00           H  
HETATM   91  H   UNL     1       9.338   4.108   2.497  1.00  0.00           H  
HETATM   92  H   UNL     1       7.944   4.917   1.742  1.00  0.00           H  
HETATM   93  H   UNL     1       8.011   0.654   2.095  1.00  0.00           H  
HETATM   94  H   UNL     1       9.377   1.619   2.704  1.00  0.00           H  
HETATM   95  H   UNL     1       7.810   1.664   3.547  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4   13                                       
CONECT    3    4    4   12                                            
CONECT    4    2    3    3    5                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   49                                       
CONECT   11   10   12   12   50                                       
CONECT   12    3    7   11   11                                       
CONECT   13   14   51    2                                            
CONECT   14   13   15   17   52                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   53   54                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   55   56                                            
CONECT   21   22   57   15                                            
CONECT   22   21   23   30   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   26   61                                       
CONECT   25   24   27   62   63                                       
CONECT   26   24   28   64   65                                       
CONECT   27   25   29   66   67                                       
CONECT   28   26   29   68   69                                       
CONECT   29   27   28   70   71                                       
CONECT   30   22   31   32   72                                       
CONECT   31   30   73                                                 
CONECT   32   30   33   74   75                                       
CONECT   33   32   34   37   76                                       
CONECT   34   33   35   36   77                                       
CONECT   35   34   78   79   80                                       
CONECT   36   34   81   82   83                                       
CONECT   37   33   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   40   84   37                                            
CONECT   40   39   41   85   86                                       
CONECT   41   40   42   43   44                                       
CONECT   42   41   87   88   89                                       
CONECT   43   41   90   91   92                                       
CONECT   44   41   93   94   95                                       
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
