COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.124  -1.032  -2.319  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.599  -1.622  -1.247  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.160  -2.926  -1.313  1.00  0.00           O  
HETATM    4  N   UNL     1       0.417  -1.615   0.061  1.00  0.00           N  
HETATM    5  C   UNL     1       0.553  -2.817   0.888  1.00  0.00           C  
HETATM    6  C   UNL     1       0.920  -4.008   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       2.220  -3.705  -0.747  1.00  0.00           C  
HETATM    8  C   UNL     1       1.111  -5.252   0.871  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.752  -3.095   1.589  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.792  -2.733   1.094  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.757  -3.746   2.763  1.00  0.00           O  
HETATM   12  C   UNL     1       1.178  -0.408   0.391  1.00  0.00           C  
HETATM   13  C   UNL     1       2.573  -0.500  -0.231  1.00  0.00           C  
HETATM   14  N   UNL     1       3.356   0.679   0.149  1.00  0.00           N  
HETATM   15  C   UNL     1       4.624   0.815  -0.286  1.00  0.00           C  
HETATM   16  O   UNL     1       5.119  -0.040  -0.994  1.00  0.00           O  
HETATM   17  C   UNL     1       5.413   2.005   0.097  1.00  0.00           C  
HETATM   18  C   UNL     1       6.727   2.149  -0.352  1.00  0.00           C  
HETATM   19  C   UNL     1       7.458   3.262   0.010  1.00  0.00           C  
HETATM   20  C   UNL     1       6.892   4.234   0.816  1.00  0.00           C  
HETATM   21  C   UNL     1       4.846   2.992   0.906  1.00  0.00           C  
HETATM   22  C   UNL     1       5.590   4.097   1.265  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.929  -0.526  -0.881  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.124  -1.030  -0.399  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.168  -0.176  -0.109  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.018   1.196  -0.304  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.812   1.698  -0.790  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.772   0.835  -1.071  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.138   2.119   0.005  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.342   1.618   0.495  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.381   2.481   0.781  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.228   3.841   0.581  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.035   4.344   0.094  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.988   3.491  -0.190  1.00  0.00           C  
HETATM   35  H   UNL     1       1.337  -2.660   1.629  1.00  0.00           H  
HETATM   36  H   UNL     1       0.120  -4.186  -0.717  1.00  0.00           H  
HETATM   37  H   UNL     1       3.020  -3.527  -0.029  1.00  0.00           H  
HETATM   38  H   UNL     1       2.481  -4.554  -1.379  1.00  0.00           H  
HETATM   39  H   UNL     1       2.084  -2.819  -1.367  1.00  0.00           H  
HETATM   40  H   UNL     1       0.185  -5.468   1.405  1.00  0.00           H  
HETATM   41  H   UNL     1       1.372  -6.101   0.239  1.00  0.00           H  
HETATM   42  H   UNL     1       1.911  -5.074   1.590  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.619  -3.901   3.174  1.00  0.00           H  
HETATM   44  H   UNL     1       0.661   0.467  -0.004  1.00  0.00           H  
HETATM   45  H   UNL     1       1.268  -0.320   1.474  1.00  0.00           H  
HETATM   46  H   UNL     1       3.073  -1.399   0.128  1.00  0.00           H  
HETATM   47  H   UNL     1       2.485  -0.543  -1.317  1.00  0.00           H  
HETATM   48  H   UNL     1       2.961   1.362   0.714  1.00  0.00           H  
HETATM   49  H   UNL     1       7.170   1.391  -0.980  1.00  0.00           H  
HETATM   50  H   UNL     1       8.474   3.375  -0.337  1.00  0.00           H  
HETATM   51  H   UNL     1       7.470   5.100   1.100  1.00  0.00           H  
HETATM   52  H   UNL     1       3.829   2.888   1.253  1.00  0.00           H  
HETATM   53  H   UNL     1       5.154   4.859   1.894  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.239  -2.093  -0.249  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.101  -0.570   0.266  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.691   2.760  -0.943  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.836   1.223  -1.443  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.463   0.556   0.652  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.314   2.094   1.162  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.043   4.513   0.806  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.921   5.407  -0.062  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.056   3.885  -0.566  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    3    1                                       
CONECT    2    1   23                                                 
CONECT    3    2    2                                                 
CONECT    4   12    5    2                                            
CONECT    5    6    4    9   35                                       
CONECT    6    8    7    5   36                                       
CONECT    7    6   37   38   39                                       
CONECT    8    6   40   41   42                                       
CONECT    9    5   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   43                                                 
CONECT   12   13    4   44   45                                       
CONECT   13   14   12   46   47                                       
CONECT   14   15   13   48                                            
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   21   21   18   15                                       
CONECT   18   19   19   17   49                                       
CONECT   19   20   18   18   50                                       
CONECT   20   22   22   19   51                                       
CONECT   21   22   17   17   52                                       
CONECT   22   20   20   21   53                                       
CONECT   23    2   28   28   24                                       
CONECT   24   23   25   25   54                                       
CONECT   25   24   24   26   55                                       
CONECT   26   27   27   25   29                                       
CONECT   27   28   26   26   56                                       
CONECT   28   23   23   27   57                                       
CONECT   29   26   30   30   34                                       
CONECT   30   29   29   31   58                                       
CONECT   31   30   32   32   59                                       
CONECT   32   31   31   33   60                                       
CONECT   33   34   34   32   61                                       
CONECT   34   29   33   33   62                                       
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
