COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.109   2.109  -0.788  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.623   2.307  -0.689  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.249   0.257   0.764  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.763   0.455   0.863  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.126   0.804   1.786  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.649   0.944   1.815  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.223   0.249  -0.648  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.747   0.389  -0.619  1.00  0.00           C  
HETATM    9  C   UNL     1       0.571  -0.575   0.655  1.00  0.00           C  
HETATM   10  C   UNL     1       1.724  -2.930  -0.275  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.236  -1.627   0.216  1.00  0.00           C  
HETATM   12  C   UNL     1       0.350  -2.808  -0.251  1.00  0.00           C  
HETATM   13  C   UNL     1       8.911   0.819  -0.934  1.00  0.00           C  
HETATM   14  N   UNL     1       7.035   2.407  -0.704  1.00  0.00           N  
HETATM   15  C   UNL     1       6.225   1.286  -0.473  1.00  0.00           C  
HETATM   16  C   UNL     1      10.392   0.836  -0.552  1.00  0.00           C  
HETATM   17  C   UNL     1      10.971  -0.573  -0.691  1.00  0.00           C  
HETATM   18  C   UNL     1       8.586   0.197   1.380  1.00  0.00           C  
HETATM   19  C   UNL     1       8.052   1.558   1.830  1.00  0.00           C  
HETATM   20  C   UNL     1       8.015  -0.899   2.283  1.00  0.00           C  
HETATM   21  C   UNL     1       6.453   3.751  -0.764  1.00  0.00           C  
HETATM   22  C   UNL     1       1.416  -5.115  -1.162  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.706  -1.492   0.244  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.408  -2.408  -0.139  1.00  0.00           O  
HETATM   25  O   UNL     1       2.297  -4.077  -0.727  1.00  0.00           O  
HETATM   26  C   UNL     1       2.526  -1.875   0.166  1.00  0.00           C  
HETATM   27  N   UNL     1       3.915  -1.999   0.141  1.00  0.00           N  
HETATM   28  C   UNL     1       4.707  -0.879  -0.062  1.00  0.00           C  
HETATM   29  N   UNL     1       6.024  -0.998   0.035  1.00  0.00           N  
HETATM   30  C   UNL     1       6.810   0.056  -0.154  1.00  0.00           C  
HETATM   31  N   UNL     1       8.182  -0.054  -0.009  1.00  0.00           N  
HETATM   32  N   UNL     1       4.126   0.276  -0.346  1.00  0.00           N  
HETATM   33  C   UNL     1       4.847   1.370  -0.557  1.00  0.00           C  
HETATM   34  C   UNL     1       8.363   2.221  -0.871  1.00  0.00           C  
HETATM   35  O   UNL     1       9.107   3.174  -0.967  1.00  0.00           O  
HETATM   36  C   UNL     1       1.943  -0.702   0.629  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.269  -0.354   0.694  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.728  -0.220   0.722  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.145   1.413   0.446  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.607   1.547   0.474  1.00  0.00           N  
HETATM   41  N   UNL     1     -10.265   1.017  -0.399  1.00  0.00           N  
HETATM   42  C   UNL     1     -11.727   1.151  -0.371  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.366  -0.238  -0.316  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.887  -0.311  -0.162  1.00  0.00           C  
HETATM   45  C   UNL     1     -13.235  -0.664  -1.501  1.00  0.00           C  
HETATM   46  H   UNL     1      -7.884   1.424  -1.606  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.628   3.069  -0.975  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.847   3.012   0.111  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.002   2.696  -1.634  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.871  -0.133   1.709  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.026  -0.448  -0.036  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.244  -0.506   1.050  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.988   1.139   1.681  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.677   1.768   1.548  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.773   0.470   2.762  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.098  -0.021   2.053  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.933   1.673   2.574  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.940  -0.481  -1.406  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.775   1.213  -0.886  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.100   0.723  -1.594  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.195  -0.576  -0.381  1.00  0.00           H  
HETATM   62  H   UNL     1       0.120   0.339   1.012  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.272  -3.623  -0.591  1.00  0.00           H  
HETATM   64  H   UNL     1       8.804   0.438  -1.950  1.00  0.00           H  
HETATM   65  H   UNL     1      10.930   1.516  -1.213  1.00  0.00           H  
HETATM   66  H   UNL     1      10.498   1.173   0.479  1.00  0.00           H  
HETATM   67  H   UNL     1      12.002  -0.579  -0.336  1.00  0.00           H  
HETATM   68  H   UNL     1      10.379  -1.269  -0.097  1.00  0.00           H  
HETATM   69  H   UNL     1      10.945  -0.876  -1.738  1.00  0.00           H  
HETATM   70  H   UNL     1       9.674   0.193   1.448  1.00  0.00           H  
HETATM   71  H   UNL     1       8.352   1.744   2.861  1.00  0.00           H  
HETATM   72  H   UNL     1       8.458   2.339   1.187  1.00  0.00           H  
HETATM   73  H   UNL     1       6.964   1.561   1.762  1.00  0.00           H  
HETATM   74  H   UNL     1       6.932  -0.933   2.171  1.00  0.00           H  
HETATM   75  H   UNL     1       8.441  -1.861   2.000  1.00  0.00           H  
HETATM   76  H   UNL     1       8.267  -0.682   3.321  1.00  0.00           H  
HETATM   77  H   UNL     1       6.451   4.190   0.233  1.00  0.00           H  
HETATM   78  H   UNL     1       7.046   4.373  -1.435  1.00  0.00           H  
HETATM   79  H   UNL     1       5.431   3.688  -1.136  1.00  0.00           H  
HETATM   80  H   UNL     1       2.001  -5.972  -1.497  1.00  0.00           H  
HETATM   81  H   UNL     1       0.773  -5.415  -0.335  1.00  0.00           H  
HETATM   82  H   UNL     1       0.803  -4.749  -1.986  1.00  0.00           H  
HETATM   83  H   UNL     1       4.326  -2.869   0.265  1.00  0.00           H  
HETATM   84  H   UNL     1       4.367   2.309  -0.790  1.00  0.00           H  
HETATM   85  H   UNL     1       2.566   0.112   0.969  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.709   0.377   0.999  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.177  -1.185   0.960  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.696   2.377   0.208  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.023   1.722   0.509  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.062   1.669  -1.270  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.773  -1.009   0.176  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.294  -1.130   0.430  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.432   0.630  -0.100  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.352   0.046  -2.320  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.214  -1.715  -1.789  1.00  0.00           H  
CONECT    1    2   40   46   47                                       
CONECT    2    1   41   48   49                                       
CONECT    3    4   40   50   51                                       
CONECT    4    3   41   52   53                                       
CONECT    5    6   38   54   55                                       
CONECT    6    5   39   56   57                                       
CONECT    7    8   38   58   59                                       
CONECT    8    7   39   60   61                                       
CONECT    9   11   11   36   62                                       
CONECT   10   12   12   25   26                                       
CONECT   11    9    9   12   23                                       
CONECT   12   10   10   11   63                                       
CONECT   13   16   31   34   64                                       
CONECT   14   15   21   34                                            
CONECT   15   14   30   30   33                                       
CONECT   16   13   17   65   66                                       
CONECT   17   16   67   68   69                                       
CONECT   18   19   20   31   70                                       
CONECT   19   18   71   72   73                                       
CONECT   20   18   74   75   76                                       
CONECT   21   14   77   78   79                                       
CONECT   22   25   80   81   82                                       
CONECT   23   11   24   24   37                                       
CONECT   24   23   23                                                 
CONECT   25   10   22                                                 
CONECT   26   10   27   36   36                                       
CONECT   27   26   28   83                                            
CONECT   28   27   29   29   32                                       
CONECT   29   28   28   30                                            
CONECT   30   15   15   29   31                                       
CONECT   31   13   18   30                                            
CONECT   32   28   33   33                                            
CONECT   33   15   32   32   84                                       
CONECT   34   13   14   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    9   26   26   85                                       
CONECT   37   23   38   86                                            
CONECT   38    5    7   37   87                                       
CONECT   39    6    8   40   88                                       
CONECT   40    1    3   39                                            
CONECT   41    2    4   42                                            
CONECT   42   41   43   89   90                                       
CONECT   43   42   44   45   91                                       
CONECT   44   43   45   92   93                                       
CONECT   45   43   44   94   95                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   27                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
