COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.349   1.059   0.626  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.600   0.085  -0.105  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.325  -0.144   0.302  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.810   0.537   1.369  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.504   0.313   1.798  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.525  -1.091  -0.370  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.018  -1.815  -1.467  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.216  -2.721  -2.092  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.911  -2.942  -1.659  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.399  -2.258  -0.599  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.197  -1.315   0.070  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.703  -0.589   1.168  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.293  -0.813   1.650  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.359  -0.070   0.794  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.551   1.380   0.938  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.862   2.114  -0.221  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.964  -0.460   1.070  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.060   0.418   0.250  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.458   1.576  -0.337  1.00  0.00           C  
HETATM   20  N   UNL     1       0.603   2.080  -0.982  1.00  0.00           N  
HETATM   21  C   UNL     1       0.604   3.326  -1.753  1.00  0.00           C  
HETATM   22  C   UNL     1       0.976   4.493  -0.837  1.00  0.00           C  
HETATM   23  N   UNL     1       0.977   5.742  -1.610  1.00  0.00           N  
HETATM   24  N   UNL     1       1.623   1.308  -0.824  1.00  0.00           N  
HETATM   25  C   UNL     1       1.295   0.266  -0.078  1.00  0.00           C  
HETATM   26  C   UNL     1       2.183  -0.842   0.330  1.00  0.00           C  
HETATM   27  O   UNL     1       1.751  -1.743   1.022  1.00  0.00           O  
HETATM   28  N   UNL     1       3.471  -0.853  -0.065  1.00  0.00           N  
HETATM   29  C   UNL     1       4.352  -1.952   0.340  1.00  0.00           C  
HETATM   30  C   UNL     1       5.729  -1.727  -0.229  1.00  0.00           C  
HETATM   31  C   UNL     1       6.617  -0.839   0.401  1.00  0.00           C  
HETATM   32  C   UNL     1       6.248  -0.139   1.563  1.00  0.00           C  
HETATM   33  C   UNL     1       7.135   0.712   2.146  1.00  0.00           C  
HETATM   34  C   UNL     1       8.407   0.903   1.609  1.00  0.00           C  
HETATM   35  C   UNL     1       8.799   0.243   0.485  1.00  0.00           C  
HETATM   36  C   UNL     1       7.911  -0.645  -0.146  1.00  0.00           C  
HETATM   37  C   UNL     1       8.280  -1.344  -1.307  1.00  0.00           C  
HETATM   38  C   UNL     1       7.393  -2.197  -1.890  1.00  0.00           C  
HETATM   39  C   UNL     1       6.122  -2.387  -1.353  1.00  0.00           C  
HETATM   40  H   UNL     1      -8.845   2.023   0.567  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.348   1.144   0.199  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.425   0.751   1.669  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.425   1.258   1.886  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.121   0.865   2.643  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.029  -1.655  -1.813  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.598  -3.277  -2.935  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.296  -3.667  -2.172  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.385  -2.440  -0.274  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.200  -0.463   2.678  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.059  -1.877   1.606  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.617   1.606   0.928  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.120   1.710   1.883  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.405   1.931  -1.148  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.832   3.184  -0.015  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.747  -0.323   2.130  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.812  -1.503   0.795  1.00  0.00           H  
HETATM   57  H   UNL     1       1.331   3.253  -2.562  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.389   3.495  -2.172  1.00  0.00           H  
HETATM   59  H   UNL     1       0.249   4.567  -0.029  1.00  0.00           H  
HETATM   60  H   UNL     1       1.968   4.324  -0.419  1.00  0.00           H  
HETATM   61  H   UNL     1       1.220   6.529  -1.026  1.00  0.00           H  
HETATM   62  H   UNL     1       1.596   5.676  -2.404  1.00  0.00           H  
HETATM   63  H   UNL     1       3.816  -0.134  -0.618  1.00  0.00           H  
HETATM   64  H   UNL     1       4.410  -1.989   1.427  1.00  0.00           H  
HETATM   65  H   UNL     1       3.953  -2.894  -0.036  1.00  0.00           H  
HETATM   66  H   UNL     1       5.266  -0.277   1.990  1.00  0.00           H  
HETATM   67  H   UNL     1       6.849   1.249   3.039  1.00  0.00           H  
HETATM   68  H   UNL     1       9.092   1.585   2.091  1.00  0.00           H  
HETATM   69  H   UNL     1       9.788   0.401   0.080  1.00  0.00           H  
HETATM   70  H   UNL     1       9.262  -1.206  -1.735  1.00  0.00           H  
HETATM   71  H   UNL     1       7.680  -2.733  -2.783  1.00  0.00           H  
HETATM   72  H   UNL     1       5.439  -3.073  -1.833  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   43                                       
CONECT    5    4   12   12   44                                       
CONECT    6    3    7    7   11                                       
CONECT    7    6    6    8   45                                       
CONECT    8    7    9    9   46                                       
CONECT    9    8    8   10   47                                       
CONECT   10   11   11    9   48                                       
CONECT   11    6   12   10   10                                       
CONECT   12    5    5   11   13                                       
CONECT   13   12   14   49   50                                       
CONECT   14   17   13   15                                            
CONECT   15   14   16   51   52                                       
CONECT   16   15   19   53   54                                       
CONECT   17   18   14   55   56                                       
CONECT   18   17   25   19   19                                       
CONECT   19   18   18   20   16                                       
CONECT   20   24   19   21                                            
CONECT   21   20   22   57   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23   22   61   62                                            
CONECT   24   25   25   20                                            
CONECT   25   26   18   24   24                                       
CONECT   26   27   27   28   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   63                                            
CONECT   29   30   28   64   65                                       
CONECT   30   31   31   39   29                                       
CONECT   31   36   32   30   30                                       
CONECT   32   33   33   31   66                                       
CONECT   33   34   32   32   67                                       
CONECT   34   35   35   33   68                                       
CONECT   35   34   34   36   69                                       
CONECT   36   35   37   37   31                                       
CONECT   37   36   36   38   70                                       
CONECT   38   37   39   39   71                                       
CONECT   39   38   38   30   72                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
