COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.539   1.357   0.522  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.963   1.627   1.573  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.904   0.877   2.209  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.154   2.036  -0.099  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.949   3.219   0.236  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.513  -1.151  -0.836  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.288   2.277   0.370  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.366   2.864   0.925  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.867   1.955   0.293  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.343   3.061  -0.314  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.189   0.742   1.684  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.594   2.140  -0.163  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.919   2.790  -1.365  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.978   3.541  -2.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.694   3.675  -1.477  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.065   0.762  -0.046  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.473  -0.298  -0.724  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.608  -2.437  -1.532  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.054  -3.519  -0.547  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.149  -4.808  -1.245  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.576  -5.873  -0.328  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.560  -6.005   0.809  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.949  -5.527   0.252  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.663  -7.197  -1.089  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.078  -8.233  -0.197  1.00  0.00           O  
HETATM   26  C   UNL     1       0.586  -0.687  -0.226  1.00  0.00           C  
HETATM   27  C   UNL     1       0.278   0.531   0.289  1.00  0.00           C  
HETATM   28  C   UNL     1       1.249   1.391   1.049  1.00  0.00           C  
HETATM   29  N   UNL     1       2.609   0.885   0.793  1.00  0.00           N  
HETATM   30  C   UNL     1       3.601   1.610   1.598  1.00  0.00           C  
HETATM   31  C   UNL     1       4.988   1.242   1.137  1.00  0.00           C  
HETATM   32  C   UNL     1       5.716   0.322   1.828  1.00  0.00           C  
HETATM   33  C   UNL     1       6.997  -0.037   1.416  1.00  0.00           C  
HETATM   34  C   UNL     1       7.561   0.525   0.306  1.00  0.00           C  
HETATM   35  O   UNL     1       8.811   0.165  -0.082  1.00  0.00           O  
HETATM   36  C   UNL     1       9.483  -0.811   0.717  1.00  0.00           C  
HETATM   37  C   UNL     1       6.836   1.482  -0.433  1.00  0.00           C  
HETATM   38  C   UNL     1       5.532   1.844  -0.011  1.00  0.00           C  
HETATM   39  C   UNL     1       4.807   2.793  -0.750  1.00  0.00           C  
HETATM   40  C   UNL     1       5.367   3.356  -1.857  1.00  0.00           C  
HETATM   41  C   UNL     1       6.651   3.004  -2.268  1.00  0.00           C  
HETATM   42  C   UNL     1       7.380   2.083  -1.579  1.00  0.00           C  
HETATM   43  C   UNL     1       2.697  -0.563   1.029  1.00  0.00           C  
HETATM   44  C   UNL     1       1.948  -1.316  -0.080  1.00  0.00           C  
HETATM   45  H   UNL     1      -9.537   1.240   0.125  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.972   1.723   1.991  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.652   0.379   3.133  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.554   1.310  -0.604  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.997   3.330   1.320  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.485   4.104  -0.199  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.917   0.141   2.209  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.910   2.694  -1.784  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.230   4.039  -2.925  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.966   4.277  -2.001  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.335  -2.359  -2.340  1.00  0.00           H  
HETATM   56  H   UNL     1       0.366  -2.700  -1.944  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.327  -3.596   0.262  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.028  -3.256  -0.135  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.769  -4.744  -2.039  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.498  -5.061   1.352  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.877  -6.795   1.490  1.00  0.00           H  
HETATM   62  H   UNL     1       0.418  -6.251   0.396  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.672  -5.433  -0.557  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.265  -6.317   0.933  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.886  -4.584   0.795  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.387  -7.103  -1.899  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.685  -7.444  -1.503  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.155  -9.103  -0.613  1.00  0.00           H  
HETATM   69  H   UNL     1       1.171   2.424   0.708  1.00  0.00           H  
HETATM   70  H   UNL     1       1.031   1.338   2.116  1.00  0.00           H  
HETATM   71  H   UNL     1       3.451   2.683   1.479  1.00  0.00           H  
HETATM   72  H   UNL     1       3.484   1.342   2.648  1.00  0.00           H  
HETATM   73  H   UNL     1       5.293  -0.137   2.709  1.00  0.00           H  
HETATM   74  H   UNL     1       7.552  -0.769   1.983  1.00  0.00           H  
HETATM   75  H   UNL     1       9.589  -0.436   1.735  1.00  0.00           H  
HETATM   76  H   UNL     1       8.902  -1.733   0.729  1.00  0.00           H  
HETATM   77  H   UNL     1      10.469  -1.008   0.297  1.00  0.00           H  
HETATM   78  H   UNL     1       3.811   3.076  -0.443  1.00  0.00           H  
HETATM   79  H   UNL     1       4.808   4.085  -2.424  1.00  0.00           H  
HETATM   80  H   UNL     1       7.072   3.465  -3.150  1.00  0.00           H  
HETATM   81  H   UNL     1       8.372   1.817  -1.913  1.00  0.00           H  
HETATM   82  H   UNL     1       3.744  -0.867   1.030  1.00  0.00           H  
HETATM   83  H   UNL     1       2.250  -0.801   1.994  1.00  0.00           H  
HETATM   84  H   UNL     1       1.842  -2.366   0.194  1.00  0.00           H  
HETATM   85  H   UNL     1       2.496  -1.233  -1.019  1.00  0.00           H  
CONECT    1   11   11   12   45                                       
CONECT    2    3    3    7   46                                       
CONECT    3   11    2    2   47                                       
CONECT    4    5    9   48                                            
CONECT    5   10    4   49   50                                       
CONECT    6   17   18   26                                            
CONECT    7   12    2   10   10                                       
CONECT    8    9    9                                                 
CONECT    9    4    8    8   16                                       
CONECT   10    7    7   15    5                                       
CONECT   11    1    1    3   51                                       
CONECT   12    1   13   13    7                                       
CONECT   13   12   12   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   14   14   10   54                                       
CONECT   16    9   17   17   27                                       
CONECT   17   16   16    6                                            
CONECT   18   19    6   55   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20   19   21   59                                            
CONECT   21   24   23   20   22                                       
CONECT   22   21   60   61   62                                       
CONECT   23   21   63   64   65                                       
CONECT   24   25   21   66   67                                       
CONECT   25   24   68                                                 
CONECT   26    6   27   27   44                                       
CONECT   27   16   26   26   28                                       
CONECT   28   27   29   69   70                                       
CONECT   29   28   43   30                                            
CONECT   30   29   31   71   72                                       
CONECT   31   32   32   38   30                                       
CONECT   32   33   31   31   73                                       
CONECT   33   34   34   32   74                                       
CONECT   34   35   33   33   37                                       
CONECT   35   36   34                                                 
CONECT   36   35   75   76   77                                       
CONECT   37   34   42   42   38                                       
CONECT   38   37   31   39   39                                       
CONECT   39   38   38   40   78                                       
CONECT   40   41   41   39   79                                       
CONECT   41   42   40   40   80                                       
CONECT   42   37   37   41   81                                       
CONECT   43   44   29   82   83                                       
CONECT   44   26   43   84   85                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
