COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.379  -5.563  -1.778  1.00  0.00           C  
HETATM    2  C   UNL     1       7.635  -4.266  -1.637  1.00  0.00           C  
HETATM    3  C   UNL     1       6.639  -3.384  -1.010  1.00  0.00           C  
HETATM    4  O   UNL     1       5.582  -3.841  -0.621  1.00  0.00           O  
HETATM    5  N   UNL     1       6.898  -2.069  -0.867  1.00  0.00           N  
HETATM    6  C   UNL     1       5.909  -1.212  -0.394  1.00  0.00           C  
HETATM    7  C   UNL     1       4.572  -1.541  -0.545  1.00  0.00           C  
HETATM    8  C   UNL     1       6.261  -0.011   0.246  1.00  0.00           C  
HETATM    9  C   UNL     1       7.679   0.347   0.418  1.00  0.00           C  
HETATM   10  O   UNL     1       8.442  -0.433   0.956  1.00  0.00           O  
HETATM   11  N   UNL     1       8.131   1.538  -0.021  1.00  0.00           N  
HETATM   12  C   UNL     1       9.513   1.968   0.245  1.00  0.00           C  
HETATM   13  C   UNL     1      10.143   2.419  -1.077  1.00  0.00           C  
HETATM   14  O   UNL     1       9.288   3.380  -1.702  1.00  0.00           O  
HETATM   15  C   UNL     1       7.998   2.874  -2.055  1.00  0.00           C  
HETATM   16  C   UNL     1       7.260   2.443  -0.787  1.00  0.00           C  
HETATM   17  C   UNL     1       5.260   0.844   0.719  1.00  0.00           C  
HETATM   18  C   UNL     1       3.945   0.512   0.559  1.00  0.00           C  
HETATM   19  C   UNL     1       3.590  -0.683  -0.064  1.00  0.00           C  
HETATM   20  N   UNL     1       2.248  -1.010  -0.221  1.00  0.00           N  
HETATM   21  C   UNL     1       1.290  -0.470   0.646  1.00  0.00           C  
HETATM   22  C   UNL     1       0.184   0.159   0.147  1.00  0.00           C  
HETATM   23  C   UNL     1       1.453  -0.576   2.046  1.00  0.00           C  
HETATM   24  O   UNL     1       2.434  -1.140   2.503  1.00  0.00           O  
HETATM   25  N   UNL     1       0.530  -0.056   2.876  1.00  0.00           N  
HETATM   26  C   UNL     1       0.714  -0.173   4.325  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.568   0.577   2.389  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.765   0.695   1.045  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.970   1.389   0.527  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.212   0.762   0.577  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.337  -0.623   1.158  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.862   2.672  -0.006  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.984   3.317  -0.487  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.217   2.694  -0.442  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.335   1.416   0.092  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.585   0.790   0.140  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.484   1.005  -0.841  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.174   1.660  -1.817  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.846   0.443  -0.731  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.780   0.663  -1.745  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.050   0.135  -1.636  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.399  -0.611  -0.524  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.790  -1.179  -0.408  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.712  -2.703  -0.306  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.468  -0.618   0.843  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.603  -0.792  -1.645  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.479  -0.833   0.485  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.203  -0.315   0.386  1.00  0.00           C  
HETATM   49  H   UNL     1       8.111  -6.211  -2.238  1.00  0.00           H  
HETATM   50  H   UNL     1       6.442  -5.970  -1.428  1.00  0.00           H  
HETATM   51  H   UNL     1       8.575  -3.860  -1.982  1.00  0.00           H  
HETATM   52  H   UNL     1       7.774  -1.720  -1.094  1.00  0.00           H  
HETATM   53  H   UNL     1       4.293  -2.461  -1.036  1.00  0.00           H  
HETATM   54  H   UNL     1       9.509   2.798   0.952  1.00  0.00           H  
HETATM   55  H   UNL     1      10.083   1.137   0.659  1.00  0.00           H  
HETATM   56  H   UNL     1      11.116   2.870  -0.882  1.00  0.00           H  
HETATM   57  H   UNL     1      10.266   1.558  -1.734  1.00  0.00           H  
HETATM   58  H   UNL     1       7.428   3.651  -2.563  1.00  0.00           H  
HETATM   59  H   UNL     1       8.113   2.015  -2.717  1.00  0.00           H  
HETATM   60  H   UNL     1       6.338   1.928  -1.056  1.00  0.00           H  
HETATM   61  H   UNL     1       7.029   3.320  -0.182  1.00  0.00           H  
HETATM   62  H   UNL     1       5.527   1.767   1.211  1.00  0.00           H  
HETATM   63  H   UNL     1       3.176   1.175   0.927  1.00  0.00           H  
HETATM   64  H   UNL     1       1.975  -1.612  -0.931  1.00  0.00           H  
HETATM   65  H   UNL     1       0.039   0.247  -0.919  1.00  0.00           H  
HETATM   66  H   UNL     1       1.643  -0.705   4.531  1.00  0.00           H  
HETATM   67  H   UNL     1       0.760   0.822   4.767  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.123  -0.723   4.754  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.296   0.987   3.074  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.533  -0.553   2.227  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.159  -1.149   0.671  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.408  -1.171   0.994  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.901   3.163  -0.042  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.899   4.311  -0.899  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.092   3.203  -0.819  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.804   0.202   0.879  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.509   1.245  -2.613  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.773   0.305  -2.420  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.132  -2.979   0.576  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.718  -3.114  -0.222  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.229  -3.103  -1.197  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.524   0.468   0.770  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.474  -1.029   0.927  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.889  -0.893   1.725  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.120  -1.192  -2.537  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.609  -1.203  -1.562  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.659   0.294  -1.718  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.758  -1.416   1.350  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.486  -0.489   1.174  1.00  0.00           H  
CONECT    1    2    2   49   50                                       
CONECT    2    1    1    3   51                                       
CONECT    3    4    4    5    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   52                                            
CONECT    6    7    7    8    5                                       
CONECT    7   19    6    6   53                                       
CONECT    8   17   17    6    9                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   16    9   12                                            
CONECT   12   11   13   54   55                                       
CONECT   13   14   12   56   57                                       
CONECT   14   15   13                                                 
CONECT   15   16   14   58   59                                       
CONECT   16   15   11   60   61                                       
CONECT   17   18    8    8   62                                       
CONECT   18   19   19   17   63                                       
CONECT   19   20   18   18    7                                       
CONECT   20   21   19   64                                            
CONECT   21   23   20   22   22                                       
CONECT   22   21   21   28   65                                       
CONECT   23   24   24   25   21                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   27                                            
CONECT   26   25   66   67   68                                       
CONECT   27   25   28   28   69                                       
CONECT   28   27   27   22   29                                       
CONECT   29   28   30   30   32                                       
CONECT   30   31   29   29   35                                       
CONECT   31   30   70   71   72                                       
CONECT   32   29   33   33   73                                       
CONECT   33   32   32   34   74                                       
CONECT   34   35   35   33   75                                       
CONECT   35   30   36   34   34                                       
CONECT   36   37   35   76                                            
CONECT   37   39   38   38   36                                       
CONECT   38   37   37                                                 
CONECT   39   48   48   40   37                                       
CONECT   40   41   41   39   77                                       
CONECT   41   42   40   40   78                                       
CONECT   42   43   47   47   41                                       
CONECT   43   44   46   42   45                                       
CONECT   44   43   79   80   81                                       
CONECT   45   43   82   83   84                                       
CONECT   46   43   85   86   87                                       
CONECT   47   42   42   48   88                                       
CONECT   48   47   39   39   89                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
