COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.606   0.003  -0.801  1.00  0.00           C  
HETATM    2  C   UNL     1       0.765   2.434  -0.219  1.00  0.00           C  
HETATM    3  C   UNL     1       1.670   1.008  -2.057  1.00  0.00           C  
HETATM    4  C   UNL     1       4.374   1.879   0.297  1.00  0.00           C  
HETATM    5  C   UNL     1       8.697  -1.776  -0.363  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.641   0.651  -1.260  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.200   0.335   0.171  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.171   0.982   1.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.790   0.883   0.405  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.813   0.189  -0.548  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.816  -1.944  -1.108  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.447  -1.523  -0.637  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.839  -0.407  -1.207  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.934  -0.708   0.206  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.653  -0.316   0.649  1.00  0.00           C  
HETATM   16  C   UNL     1       0.306   1.195   0.553  1.00  0.00           C  
HETATM   17  C   UNL     1       0.705   2.150  -1.723  1.00  0.00           C  
HETATM   18  C   UNL     1       3.083   1.394  -1.610  1.00  0.00           C  
HETATM   19  C   UNL     1       2.203   2.778   0.174  1.00  0.00           C  
HETATM   20  C   UNL     1       5.893   3.221   1.394  1.00  0.00           C  
HETATM   21  C   UNL     1       6.648   1.201   0.579  1.00  0.00           C  
HETATM   22  C   UNL     1       7.425  -0.970  -0.305  1.00  0.00           C  
HETATM   23  C   UNL     1       9.569  -1.616  -1.424  1.00  0.00           C  
HETATM   24  C   UNL     1      10.736  -2.356  -1.477  1.00  0.00           C  
HETATM   25  C   UNL     1      11.031  -3.254  -0.470  1.00  0.00           C  
HETATM   26  C   UNL     1      10.159  -3.413   0.592  1.00  0.00           C  
HETATM   27  C   UNL     1       8.995  -2.670   0.648  1.00  0.00           C  
HETATM   28  C   UNL     1       5.373   0.931   0.092  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.028  -1.042   1.640  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.647  -2.152   2.206  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.883  -2.553   1.798  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.554  -1.840   0.790  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.830  -2.230   0.349  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.173  -1.816  -0.572  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.190  -1.182   0.379  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.840  -1.260  -0.308  1.00  0.00           N  
HETATM   37  N   UNL     1      -1.024   0.794   0.088  1.00  0.00           N  
HETATM   38  N   UNL     1       3.086   1.655  -0.165  1.00  0.00           N  
HETATM   39  N   UNL     1       4.673   3.002   0.947  1.00  0.00           N  
HETATM   40  N   UNL     1       6.865   2.349   1.220  1.00  0.00           N  
HETATM   41  N   UNL     1       7.676   0.289   0.401  1.00  0.00           N  
HETATM   42  O   UNL     1      -0.092   3.534   0.093  1.00  0.00           O  
HETATM   43  H   UNL     1      -3.145   0.868  -1.255  1.00  0.00           H  
HETATM   44  H   UNL     1       1.357   0.103  -1.536  1.00  0.00           H  
HETATM   45  H   UNL     1       1.663   0.830  -3.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.950   0.188  -1.964  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.645   0.261  -1.425  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.642   1.731  -1.409  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.174   0.589   0.995  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.856   0.755   2.179  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.175   2.062   1.013  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.781   1.957   0.216  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.491   0.692   1.436  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.104   0.393  -1.578  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.806   0.567  -0.373  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.937  -1.679  -2.158  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.924  -3.023  -0.991  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.354   0.142  -1.982  1.00  0.00           H  
HETATM   59  H   UNL     1       1.011   0.380   0.384  1.00  0.00           H  
HETATM   60  H   UNL     1       0.265   1.425   1.618  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.309   1.862  -1.999  1.00  0.00           H  
HETATM   62  H   UNL     1       0.994   3.044  -2.274  1.00  0.00           H  
HETATM   63  H   UNL     1       3.770   0.578  -1.833  1.00  0.00           H  
HETATM   64  H   UNL     1       3.400   2.291  -2.141  1.00  0.00           H  
HETATM   65  H   UNL     1       2.524   3.668  -0.366  1.00  0.00           H  
HETATM   66  H   UNL     1       2.251   2.967   1.247  1.00  0.00           H  
HETATM   67  H   UNL     1       6.103   4.142   1.917  1.00  0.00           H  
HETATM   68  H   UNL     1       7.084  -0.756  -1.318  1.00  0.00           H  
HETATM   69  H   UNL     1       6.660  -1.536   0.224  1.00  0.00           H  
HETATM   70  H   UNL     1       9.338  -0.914  -2.212  1.00  0.00           H  
HETATM   71  H   UNL     1      11.416  -2.232  -2.307  1.00  0.00           H  
HETATM   72  H   UNL     1      11.942  -3.833  -0.512  1.00  0.00           H  
HETATM   73  H   UNL     1      10.390  -4.116   1.379  1.00  0.00           H  
HETATM   74  H   UNL     1       8.316  -2.792   1.479  1.00  0.00           H  
HETATM   75  H   UNL     1       5.163   0.010  -0.432  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.047  -0.746   1.982  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.139  -2.706   2.982  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.347  -3.418   2.248  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.314  -3.093   0.781  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.153  -2.895  -0.417  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.458  -1.604  -1.603  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.914  -1.406   1.409  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.182  -1.585   0.172  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.467   1.301  -0.609  1.00  0.00           H  
HETATM   85  H   UNL     1       8.562   0.485   0.744  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.021   3.386  -0.132  1.00  0.00           H  
CONECT    1   13   13   14   43                                       
CONECT    2   17   19   16   42                                       
CONECT    3   18   17   44   45                                       
CONECT    4   28   38   39   39                                       
CONECT    5   23   22   27   27                                       
CONECT    6    7   46   47   48                                       
CONECT    7   35    6    9    8                                       
CONECT    8    7   49   50   51                                       
CONECT    9   10    7   52   53                                       
CONECT   10   36    9   54   55                                       
CONECT   11   36   12   56   57                                       
CONECT   12   11   33   33   13                                       
CONECT   13   12    1    1   58                                       
CONECT   14   32    1   15   15                                       
CONECT   15   14   14   29   37                                       
CONECT   16   37    2   59   60                                       
CONECT   17    3    2   61   62                                       
CONECT   18    3   38   63   64                                       
CONECT   19   38    2   65   66                                       
CONECT   20   40   40   39   67                                       
CONECT   21   41   28   28   40                                       
CONECT   22    5   41   68   69                                       
CONECT   23   24   24    5   70                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   72                                       
CONECT   26   25   25   27   73                                       
CONECT   27    5    5   26   74                                       
CONECT   28   21   21    4   75                                       
CONECT   29   30   30   15   76                                       
CONECT   30   31   29   29   77                                       
CONECT   31   32   32   30   78                                       
CONECT   32   33   31   31   14                                       
CONECT   33   12   12   32   79                                       
CONECT   34   35   36   80   81                                       
CONECT   35   34    7   82   83                                       
CONECT   36   34   11   10                                            
CONECT   37   15   16   84                                            
CONECT   38   18    4   19                                            
CONECT   39    4    4   20                                            
CONECT   40   21   20   20                                            
CONECT   41   22   21   85                                            
CONECT   42    2   86                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
