COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK A   1      -2.414   0.135   4.000  1.00  0.00           S  
HETATM    2  C   UNK A   0      -4.058   0.515   3.318  1.00  0.00           C  
HETATM    3  N   UNK A   1      -4.210  -0.044   1.989  1.00  0.00           N  
HETATM    4  C   UNK A   1      -3.316   0.385   0.926  1.00  0.00           C  
HETATM    5  C   UNK A   1      -1.850   0.069   1.277  1.00  0.00           C  
HETATM    6  C   UNK A   1      -1.411   0.714   2.599  1.00  0.00           C  
HETATM    7  C   UNK A   1      -6.511   0.275   3.720  1.00  0.00           C  
HETATM    8  O   UNK A   1      -6.903   1.429   3.579  1.00  0.00           O  
HETATM    9  C   UNK A   1      -5.124  -0.063   4.241  1.00  0.00           C  
HETATM   10  N   UNK A   1      -4.929  -1.482   4.387  1.00  0.00           N  
HETATM   11  C   UNK A   1      -5.275  -2.174   5.542  1.00  0.00           C  
HETATM   12  O   UNK A   1      -5.773  -1.665   6.542  1.00  0.00           O  
HETATM   13  C   UNK A   1      -4.968  -3.654   5.421  1.00  0.00           C  
HETATM   14  C   UNK A   1      -5.929  -4.527   6.185  1.00  0.00           C  
HETATM   15  S   UNK A   1      -5.313  -5.566   7.381  1.00  0.00           S  
HETATM   16  C   UNK A   1      -6.887  -6.143   7.733  1.00  0.00           C  
HETATM   17  C   UNK A   1      -7.845  -5.544   6.945  1.00  0.00           C  
HETATM   18  C   UNK A   1      -7.280  -4.599   6.040  1.00  0.00           C  
HETATM   19  C   UNK A   1      -3.738  -0.357  -0.308  1.00  0.00           C  
HETATM   20  O   UNK A   1      -8.575  -2.794   0.543  1.00  0.00           O  
HETATM   21  O   UNK A   1      -4.154   0.506  -1.267  1.00  0.00           O  
HETATM   22  O   UNK A   1      -3.710  -1.572  -0.440  1.00  0.00           O  
HETATM   23  C   UNK A   1      -0.923   0.537   0.189  1.00  0.00           C  
HETATM   24  C   UNK A   1      -1.080   1.697  -0.467  1.00  0.00           C  
HETATM   25  C   UNK A   1      -0.204   2.191  -1.543  1.00  0.00           C  
HETATM   26  C   UNK A   1       0.887   2.999  -1.258  1.00  0.00           C  
HETATM   27  C   UNK A   1       1.697   3.450  -2.300  1.00  0.00           C  
HETATM   28  C   UNK A   1       1.406   3.090  -3.616  1.00  0.00           C  
HETATM   29  C   UNK A   1       0.306   2.277  -3.889  1.00  0.00           C  
HETATM   30  C   UNK A   1      -0.504   1.825  -2.847  1.00  0.00           C  
HETATM   31  N   UNK A   1       1.209   3.384   0.078  1.00  0.00           N1+
HETATM   32  O   UNK A   1       2.345   4.219   0.319  1.00  0.00           O1-
HETATM   33  O   UNK A   1       0.520   3.017   1.095  1.00  0.00           O  
HETATM   34  N   UNK A   1       2.233   3.550  -4.679  1.00  0.00           N1+
HETATM   35  O   UNK A   1       1.931   3.176  -6.028  1.00  0.00           O1-
HETATM   36  O   UNK A   1       3.258   4.301  -4.495  1.00  0.00           O  
HETATM   37  N   UNK A   1      -9.806  -0.327   0.829  1.00  0.00           N  
HETATM   38  C   UNK A   1      -8.496  -0.518   1.402  1.00  0.00           C  
HETATM   39  C   UNK A   1      -8.555  -0.611   2.920  1.00  0.00           C  
HETATM   40  O   UNK A   1      -7.237  -0.841   3.429  1.00  0.00           O  
HETATM   41  O   UNK A   1      -6.578  -1.721   0.659  1.00  0.00           O  
HETATM   42  C   UNK A   1      -7.926  -1.792   0.814  1.00  0.00           C  
HETATM   43  H   UNK A   0      -4.180   1.603   3.281  1.00  0.00           H  
HETATM   44  H   UNK A   1      -5.150  -0.324   1.717  1.00  0.00           H  
HETATM   45  H   UNK A   1      -0.365   0.469   2.817  1.00  0.00           H  
HETATM   46  H   UNK A   1      -1.484   1.807   2.550  1.00  0.00           H  
HETATM   47  H   UNK A   1      -5.034   0.368   5.243  1.00  0.00           H  
HETATM   48  H   UNK A   1      -4.521  -2.000   3.611  1.00  0.00           H  
HETATM   49  H   UNK A   1      -3.946  -3.834   5.777  1.00  0.00           H  
HETATM   50  H   UNK A   1      -4.981  -3.929   4.359  1.00  0.00           H  
HETATM   51  H   UNK A   1      -7.036  -6.893   8.497  1.00  0.00           H  
HETATM   52  H   UNK A   1      -8.900  -5.773   7.013  1.00  0.00           H  
HETATM   53  H   UNK A   1      -7.853  -4.015   5.331  1.00  0.00           H  
HETATM   54  H   UNK A   1      -4.433   0.039  -2.084  1.00  0.00           H  
HETATM   55  H   UNK A   1      -0.104  -0.134  -0.054  1.00  0.00           H  
HETATM   56  H   UNK A   1      -1.924   2.336  -0.216  1.00  0.00           H  
HETATM   57  H   UNK A   1       2.555   4.084  -2.088  1.00  0.00           H  
HETATM   58  H   UNK A   1       0.072   1.991  -4.911  1.00  0.00           H  
HETATM   59  H   UNK A   1      -1.357   1.192  -3.078  1.00  0.00           H  
HETATM   60  H   UNK A   1     -10.596  -0.776   1.259  1.00  0.00           H  
HETATM   61  H   UNK A   1      -9.881   0.072  -0.091  1.00  0.00           H  
HETATM   62  H   UNK A   1      -7.906   0.344   1.071  1.00  0.00           H  
HETATM   63  H   UNK A   1      -9.188  -1.445   3.238  1.00  0.00           H  
HETATM   64  H   UNK A   1      -8.947   0.311   3.365  1.00  0.00           H  
HETATM   65  H   UNK A   1      -6.154  -2.535   0.311  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3    9   43                                       
CONECT    3    2    4   44                                            
CONECT    4    3    5    5   19                                       
CONECT    5    4    4    6   23                                       
CONECT    6    1    5   45   46                                       
CONECT    7    8    8    9   40                                       
CONECT    8    7    7                                                 
CONECT    9    2    7   10   47                                       
CONECT   10    9   11   48                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   49   50                                       
CONECT   14   13   15   18   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   51                                       
CONECT   17   16   16   18   52                                       
CONECT   18   14   14   17   53                                       
CONECT   19    4   21   22   22                                       
CONECT   20   42   42                                                 
CONECT   21   19   54                                                 
CONECT   22   19   19                                                 
CONECT   23    5   24   24   55                                       
CONECT   24   23   23   25   56                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   57                                       
CONECT   28   27   29   29   34                                       
CONECT   29   28   28   30   58                                       
CONECT   30   25   25   29   59                                       
CONECT   31   26   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31                                                 
CONECT   34   28   35   36   36                                       
CONECT   35   34                                                      
CONECT   36   34   34                                                 
CONECT   37   38   60   61                                            
CONECT   38   37   39   42   62                                       
CONECT   39   38   40   63   64                                       
CONECT   40    7   39                                                 
CONECT   41   42   65                                                 
CONECT   42   20   20   38   41                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   37                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
CONECT   64   39                                                      
CONECT   65   41                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
