COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.636   1.640   0.522  1.00  0.00           O  
HETATM    2  C   UNL     1       0.419   1.369   1.070  1.00  0.00           C  
HETATM    3  N   UNL     1       1.684   1.642   0.641  1.00  0.00           N  
HETATM    4  C   UNL     1       2.622   1.172   1.511  1.00  0.00           C  
HETATM    5  O   UNL     1       3.836   1.260   1.427  1.00  0.00           O  
HETATM    6  C   UNL     1       0.562   0.647   2.360  1.00  0.00           C  
HETATM    7  C   UNL     1       1.877   0.525   2.621  1.00  0.00           C  
HETATM    8  C   UNL     1       2.531  -0.076   3.741  1.00  0.00           C  
HETATM    9  C   UNL     1       2.911   0.551   4.960  1.00  0.00           C  
HETATM   10  C   UNL     1       2.797   1.861   5.467  1.00  0.00           C  
HETATM   11  C   UNL     1       3.293   2.144   6.745  1.00  0.00           C  
HETATM   12  C   UNL     1       3.893   1.149   7.514  1.00  0.00           C  
HETATM   13  C   UNL     1       4.017  -0.158   7.032  1.00  0.00           C  
HETATM   14  C   UNL     1       3.517  -0.426   5.753  1.00  0.00           C  
HETATM   15  N   UNL     1       3.500  -1.599   5.033  1.00  0.00           N  
HETATM   16  C   UNL     1       2.907  -1.398   3.815  1.00  0.00           C  
HETATM   17  C   UNL     1       2.767  -2.509   2.853  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.562   0.179   3.111  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.221  -1.079   2.995  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.029  -2.214   2.181  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.883  -3.313   2.330  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.261  -1.089   3.927  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.122  -2.181   4.087  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.912  -3.294   3.269  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.228   0.121   4.582  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.207   0.894   4.097  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.943   2.252   4.624  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.144   0.518   5.632  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.382   1.224   5.077  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.348   1.654   6.175  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.499   2.339   5.654  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.381   2.807   6.735  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.264   1.481   4.735  1.00  0.00           C  
HETATM   34  H   UNL     1       1.900   2.133  -0.220  1.00  0.00           H  
HETATM   35  H   UNL     1       2.332   2.649   4.881  1.00  0.00           H  
HETATM   36  H   UNL     1       3.208   3.152   7.141  1.00  0.00           H  
HETATM   37  H   UNL     1       4.271   1.391   8.504  1.00  0.00           H  
HETATM   38  H   UNL     1       4.485  -0.932   7.631  1.00  0.00           H  
HETATM   39  H   UNL     1       3.875  -2.480   5.359  1.00  0.00           H  
HETATM   40  H   UNL     1       1.731  -2.884   2.828  1.00  0.00           H  
HETATM   41  H   UNL     1       3.039  -2.204   1.828  1.00  0.00           H  
HETATM   42  H   UNL     1       3.425  -3.358   3.104  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.232  -2.245   1.444  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.740  -4.190   1.704  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.924  -2.172   4.816  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.564  -4.159   3.368  1.00  0.00           H  
HETATM   47  H   UNL     1       0.003   2.277   5.187  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.876   2.998   3.816  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.747   2.594   5.295  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.415  -0.385   6.191  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.596   1.172   6.321  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.897   0.566   4.365  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.072   2.114   4.515  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.702   0.794   6.752  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.850   2.344   6.863  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.072   2.368   7.687  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.415   2.516   6.532  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.333   3.896   6.817  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.155   1.839   3.708  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.324   1.493   5.001  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.901   0.451   4.789  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    6    3                                       
CONECT    3    2    4   34                                            
CONECT    4    3    7    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    2   18    7    7                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7    9   16   16                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   35                                       
CONECT   11   10   12   12   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14    9   13   13   15                                       
CONECT   15   14   16   39                                            
CONECT   16    8    8   15   17                                       
CONECT   17   16   40   41   42                                       
CONECT   18    6   19   26   26                                       
CONECT   19   18   22   22   20                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   24   44                                       
CONECT   22   19   19   23   25                                       
CONECT   23   22   24   24   45                                       
CONECT   24   21   23   23   46                                       
CONECT   25   22   28   26                                            
CONECT   26   18   18   25   27                                       
CONECT   27   26   47   48   49                                       
CONECT   28   25   29   50   51                                       
CONECT   29   28   30   52   53                                       
CONECT   30   29   31   54   55                                       
CONECT   31   30   33   32                                            
CONECT   32   31   56   57   58                                       
CONECT   33   31   59   60   61                                       
CONECT   34    3                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
