COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.632  -3.589   0.189  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.772  -2.747   0.340  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.497  -2.997  -0.038  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.124  -4.294  -0.608  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.114  -1.410   0.944  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.832  -1.446   2.447  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.294  -0.134   3.085  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.310  -0.352   0.324  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.791  -0.051  -1.031  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.111   1.193  -1.541  1.00  0.00           C  
HETATM   11  S   UNL     1      -4.705   2.834  -1.324  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.324   3.482  -2.200  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.531   2.481  -2.588  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.259   2.709  -3.364  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.963   1.219  -2.220  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.962  -0.661   0.315  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.543  -1.982   0.129  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.045   0.285   0.476  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.755  -0.021   0.462  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.330  -1.263   0.289  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.190  -2.259   0.115  1.00  0.00           C  
HETATM   22  N   UNL     1       0.177   0.991   0.633  1.00  0.00           N  
HETATM   23  C   UNL     1       1.543   0.714   0.496  1.00  0.00           C  
HETATM   24  C   UNL     1       1.970  -0.261  -0.393  1.00  0.00           C  
HETATM   25  C   UNL     1       3.319  -0.532  -0.526  1.00  0.00           C  
HETATM   26  C   UNL     1       4.245   0.167   0.226  1.00  0.00           C  
HETATM   27  C   UNL     1       3.827   1.140   1.115  1.00  0.00           C  
HETATM   28  C   UNL     1       2.478   1.421   1.250  1.00  0.00           C  
HETATM   29  O   UNL     1       2.066   2.382   2.120  1.00  0.00           O  
HETATM   30  C   UNL     1       3.079   3.066   2.859  1.00  0.00           C  
HETATM   31  C   UNL     1       2.429   4.102   3.778  1.00  0.00           C  
HETATM   32  C   UNL     1       5.715  -0.133   0.076  1.00  0.00           C  
HETATM   33  C   UNL     1       6.144   0.122  -1.371  1.00  0.00           C  
HETATM   34  C   UNL     1       7.622  -0.242  -1.531  1.00  0.00           C  
HETATM   35  N   UNL     1       7.819  -1.656  -1.185  1.00  0.00           N  
HETATM   36  C   UNL     1       9.200  -2.077  -1.459  1.00  0.00           C  
HETATM   37  C   UNL     1       7.458  -1.915   0.215  1.00  0.00           C  
HETATM   38  C   UNL     1       5.975  -1.601   0.427  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.002  -4.938  -0.654  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.727  -4.149  -1.613  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.363  -4.761   0.018  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.172  -1.201   0.783  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.371  -2.279   2.898  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.762  -1.573   2.613  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.093  -0.160   4.156  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.755   0.699   2.634  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.364  -0.007   2.919  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.561  -0.887  -1.692  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.869   0.108  -1.007  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.145   4.529  -2.394  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.429   2.838  -2.670  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.066   1.849  -4.005  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.363   3.604  -3.977  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.413   0.322  -2.466  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.837  -3.270  -0.029  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.116   1.890   0.847  1.00  0.00           H  
HETATM   57  H   UNL     1       1.249  -0.809  -0.982  1.00  0.00           H  
HETATM   58  H   UNL     1       3.650  -1.291  -1.219  1.00  0.00           H  
HETATM   59  H   UNL     1       4.554   1.683   1.701  1.00  0.00           H  
HETATM   60  H   UNL     1       3.639   2.349   3.458  1.00  0.00           H  
HETATM   61  H   UNL     1       3.756   3.569   2.167  1.00  0.00           H  
HETATM   62  H   UNL     1       1.869   4.820   3.178  1.00  0.00           H  
HETATM   63  H   UNL     1       1.752   3.600   4.469  1.00  0.00           H  
HETATM   64  H   UNL     1       3.202   4.624   4.341  1.00  0.00           H  
HETATM   65  H   UNL     1       6.287   0.509   0.745  1.00  0.00           H  
HETATM   66  H   UNL     1       5.544  -0.491  -2.043  1.00  0.00           H  
HETATM   67  H   UNL     1       6.001   1.175  -1.613  1.00  0.00           H  
HETATM   68  H   UNL     1       7.928  -0.075  -2.564  1.00  0.00           H  
HETATM   69  H   UNL     1       8.224   0.381  -0.869  1.00  0.00           H  
HETATM   70  H   UNL     1       9.888  -1.474  -0.868  1.00  0.00           H  
HETATM   71  H   UNL     1       9.318  -3.128  -1.194  1.00  0.00           H  
HETATM   72  H   UNL     1       9.417  -1.943  -2.519  1.00  0.00           H  
HETATM   73  H   UNL     1       7.644  -2.963   0.450  1.00  0.00           H  
HETATM   74  H   UNL     1       8.060  -1.284   0.868  1.00  0.00           H  
HETATM   75  H   UNL     1       5.711  -1.779   1.469  1.00  0.00           H  
HETATM   76  H   UNL     1       5.372  -2.241  -0.217  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    4    2   17                                            
CONECT    4    3   39   40   41                                       
CONECT    5    2    6    8   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    6   45   46   47                                       
CONECT    8    5   16    9                                            
CONECT    9    8   10   48   49                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   50                                       
CONECT   13   15   12   12   14                                       
CONECT   14   13   51   52   53                                       
CONECT   15   10   10   13   54                                       
CONECT   16   17    8   18   18                                       
CONECT   17    3   21   21   16                                       
CONECT   18   16   16   19                                            
CONECT   19   20   20   18   22                                       
CONECT   20   21   19   19                                            
CONECT   21   17   17   20   55                                       
CONECT   22   19   23   56                                            
CONECT   23   24   22   28   28                                       
CONECT   24   25   25   23   57                                       
CONECT   25   24   24   26   58                                       
CONECT   26   25   32   27   27                                       
CONECT   27   26   26   28   59                                       
CONECT   28   23   23   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   60   61                                       
CONECT   31   30   62   63   64                                       
CONECT   32   38   26   33   65                                       
CONECT   33   32   34   66   67                                       
CONECT   34   35   33   68   69                                       
CONECT   35   37   36   34                                            
CONECT   36   35   70   71   72                                       
CONECT   37   38   35   73   74                                       
CONECT   38   37   32   75   76                                       
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
