COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.343   3.225  -0.516  1.00  0.00           N1+
HETATM    2  C   UNL     1      -6.099   2.964   0.706  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.418   1.487   0.876  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.300   0.591   0.426  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.180   1.087  -0.213  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.036   2.562  -0.453  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.386  -0.773   0.658  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.387  -1.628   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.273  -1.130  -0.469  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.178   0.239  -0.660  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.395  -1.986  -0.972  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.189  -2.508  -0.825  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.082  -3.899  -0.629  1.00  0.00           C  
HETATM   14  C   UNL     1       0.156  -4.495  -0.544  1.00  0.00           C  
HETATM   15  C   UNL     1       1.307  -3.729  -0.652  1.00  0.00           C  
HETATM   16  C   UNL     1       1.221  -2.361  -0.800  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.024  -1.755  -0.862  1.00  0.00           C  
HETATM   18  C   UNL     1       2.454  -1.516  -0.956  1.00  0.00           C  
HETATM   19  C   UNL     1       3.284  -1.331   0.309  1.00  0.00           C  
HETATM   20  N   UNL     1       4.208  -2.394   0.611  1.00  0.00           N1+
HETATM   21  C   UNL     1       5.452  -1.958   1.263  1.00  0.00           C  
HETATM   22  C   UNL     1       6.225  -1.021   0.329  1.00  0.00           C  
HETATM   23  C   UNL     1       5.334   0.184   0.137  1.00  0.00           C  
HETATM   24  C   UNL     1       3.974   0.011   0.169  1.00  0.00           C  
HETATM   25  C   UNL     1       5.904   1.427  -0.070  1.00  0.00           C  
HETATM   26  C   UNL     1       5.094   2.547  -0.191  1.00  0.00           C  
HETATM   27  C   UNL     1       3.717   2.397  -0.083  1.00  0.00           C  
HETATM   28  C   UNL     1       3.149   1.157   0.110  1.00  0.00           C  
HETATM   29  O   UNL     1       1.870   0.915   0.290  1.00  0.00           O  
HETATM   30  C   UNL     1       0.693   1.482   0.378  1.00  0.00           C  
HETATM   31  C   UNL     1       0.089   2.054  -0.740  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.155   2.635  -0.633  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.808   2.644   0.586  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.213   2.112   1.708  1.00  0.00           C  
HETATM   35  C   UNL     1       0.034   1.533   1.607  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.202   3.222   0.654  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.484  -2.961   0.477  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.641  -3.405   1.189  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.211  -4.651  -0.529  1.00  0.00           O  
HETATM   40  O   UNL     1       5.638   3.773  -0.411  1.00  0.00           O  
HETATM   41  C   UNL     1       7.062   3.842  -0.508  1.00  0.00           C  
HETATM   42  O   UNL     1       2.918   3.495  -0.171  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.085   2.781  -1.702  1.00  0.00           C  
HETATM   44  C   UNL     1       4.581  -3.190  -0.563  1.00  0.00           C  
HETATM   45  C   UNL     1       3.549  -3.303   1.578  1.00  0.00           C  
HETATM   46  H   UNL     1      -5.534   3.316   1.572  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.039   3.527   0.669  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.522   2.722  -1.407  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.034   3.316  -1.758  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.498   2.988  -2.597  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.276   1.710  -1.632  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.622   1.294   1.933  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.320   1.245   0.311  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.246  -1.173   1.177  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.314   0.646  -1.165  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.166   4.298   0.498  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.640   3.003   1.627  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.087  -0.679  -0.933  1.00  0.00           H  
HETATM   59  H   UNL     1       0.240  -5.562  -0.397  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.534  -4.991  -1.375  1.00  0.00           H  
HETATM   61  H   UNL     1       2.258  -4.238  -0.645  1.00  0.00           H  
HETATM   62  H   UNL     1       3.031  -1.847  -1.810  1.00  0.00           H  
HETATM   63  H   UNL     1       2.093  -0.507  -1.258  1.00  0.00           H  
HETATM   64  H   UNL     1       2.568  -1.239   1.153  1.00  0.00           H  
HETATM   65  H   UNL     1       5.210  -1.440   2.192  1.00  0.00           H  
HETATM   66  H   UNL     1       6.062  -2.834   1.492  1.00  0.00           H  
HETATM   67  H   UNL     1       5.144  -2.568  -1.260  1.00  0.00           H  
HETATM   68  H   UNL     1       5.197  -4.033  -0.249  1.00  0.00           H  
HETATM   69  H   UNL     1       3.680  -3.560  -1.052  1.00  0.00           H  
HETATM   70  H   UNL     1       2.639  -3.707   1.135  1.00  0.00           H  
HETATM   71  H   UNL     1       4.226  -4.121   1.827  1.00  0.00           H  
HETATM   72  H   UNL     1       3.298  -2.751   2.484  1.00  0.00           H  
HETATM   73  H   UNL     1       7.152  -0.705   0.823  1.00  0.00           H  
HETATM   74  H   UNL     1       6.468  -1.480  -0.619  1.00  0.00           H  
HETATM   75  H   UNL     1       6.977   1.527  -0.137  1.00  0.00           H  
HETATM   76  H   UNL     1       2.631   3.701  -1.071  1.00  0.00           H  
HETATM   77  H   UNL     1       0.597   2.042  -1.693  1.00  0.00           H  
HETATM   78  H   UNL     1       0.501   1.118   2.487  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.612   3.088  -1.501  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.718   2.149   2.663  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.676  -2.920   2.164  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.537  -3.147   0.623  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.594  -4.485   1.322  1.00  0.00           H  
HETATM   84  H   UNL     1       7.508   3.486   0.421  1.00  0.00           H  
HETATM   85  H   UNL     1       7.401   3.219  -1.335  1.00  0.00           H  
HETATM   86  H   UNL     1       7.365   4.875  -0.683  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.187   4.230  -0.596  1.00  0.00           H  
CONECT    1    2    6   43   87                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2    4   52   53                                       
CONECT    4    3    5    7    7                                       
CONECT    5    4    6   10   10                                       
CONECT    6    1    5   36   48                                       
CONECT    7    4    4    8   54                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   10   11                                       
CONECT   10    5    5    9   55                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   59                                       
CONECT   15   14   16   16   61                                       
CONECT   16   15   15   17   18                                       
CONECT   17   12   12   16   58                                       
CONECT   18   16   19   62   63                                       
CONECT   19   18   20   24   64                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   25   25                                       
CONECT   24   19   23   28   28                                       
CONECT   25   23   23   26   75                                       
CONECT   26   25   27   27   40                                       
CONECT   27   26   26   28   42                                       
CONECT   28   24   24   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   35   35                                       
CONECT   31   30   32   32   77                                       
CONECT   32   31   31   33   79                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33   35   80                                       
CONECT   35   30   30   34   78                                       
CONECT   36    6   33   56   57                                       
CONECT   37    8   38                                                 
CONECT   38   37   81   82   83                                       
CONECT   39   13   60                                                 
CONECT   40   26   41                                                 
CONECT   41   40   84   85   86                                       
CONECT   42   27   76                                                 
CONECT   43    1   49   50   51                                       
CONECT   44   20   67   68   69                                       
CONECT   45   20   70   71   72                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    6                                                      
CONECT   49   43                                                      
CONECT   50   43                                                      
CONECT   51   43                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
CONECT   58   17                                                      
CONECT   59   14                                                      
CONECT   60   39                                                      
CONECT   61   15                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   44                                                      
CONECT   68   44                                                      
CONECT   69   44                                                      
CONECT   70   45                                                      
CONECT   71   45                                                      
CONECT   72   45                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   25                                                      
CONECT   76   42                                                      
CONECT   77   31                                                      
CONECT   78   35                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87    1                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
