COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -9.912  -1.938   0.254  1.00  0.00           S  
HETATM    2  C   UNL     1     -10.459  -3.214  -0.738  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.901  -3.149  -1.951  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.029  -2.099  -2.136  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.894  -1.308  -1.034  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.036  -0.118  -0.938  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.985   0.604   0.239  1.00  0.00           N  
HETATM    8  N   UNL     1      -7.321   0.257  -1.965  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.890  -0.185   1.394  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.084   1.664   0.370  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.470   2.829   1.022  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.577   3.875   1.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.301   3.764   0.629  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.914   2.607  -0.021  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.799   1.554  -0.146  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.522   2.491  -0.586  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.649   1.942   0.404  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.297   1.790  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.458   1.198   1.102  1.00  0.00           C  
HETATM   20  S   UNL     1      10.738   0.301  -0.648  1.00  0.00           S  
HETATM   21  C   UNL     1      11.366   1.791  -1.192  1.00  0.00           C  
HETATM   22  C   UNL     1      10.383   2.624  -1.546  1.00  0.00           C  
HETATM   23  C   UNL     1       9.110   2.119  -1.400  1.00  0.00           C  
HETATM   24  C   UNL     1       9.087   0.845  -0.916  1.00  0.00           C  
HETATM   25  C   UNL     1       7.876   0.051  -0.659  1.00  0.00           C  
HETATM   26  N   UNL     1       7.984  -1.235  -0.166  1.00  0.00           N  
HETATM   27  N   UNL     1       6.697   0.563  -0.897  1.00  0.00           N  
HETATM   28  C   UNL     1       1.022   1.067   0.665  1.00  0.00           C  
HETATM   29  C   UNL     1       5.806  -1.289   0.876  1.00  0.00           C  
HETATM   30  C   UNL     1       6.835  -1.939   0.207  1.00  0.00           C  
HETATM   31  C   UNL     1       6.720  -3.291  -0.091  1.00  0.00           C  
HETATM   32  C   UNL     1       5.584  -3.984   0.278  1.00  0.00           C  
HETATM   33  C   UNL     1       4.562  -3.333   0.944  1.00  0.00           C  
HETATM   34  C   UNL     1       4.673  -1.988   1.242  1.00  0.00           C  
HETATM   35  C   UNL     1       3.556  -1.283   1.968  1.00  0.00           C  
HETATM   36  O   UNL     1       2.631  -0.751   1.018  1.00  0.00           O  
HETATM   37  C   UNL     1       1.527  -0.060   1.605  1.00  0.00           C  
HETATM   38  C   UNL     1       0.301  -0.989   1.724  1.00  0.00           C  
HETATM   39  H   UNL     1     -11.163  -3.972  -0.428  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.117  -3.868  -2.727  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.504  -1.920  -3.063  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.574   0.374   0.975  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.827   1.091  -1.934  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.559  -0.203   2.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.467   2.916   1.428  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.877   4.781   1.656  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.605   4.584   0.731  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.494   0.649  -0.650  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.537   1.837  -1.459  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.165   3.478  -0.878  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.267   1.122  -0.894  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.894   2.763  -0.314  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.539   1.818   1.995  1.00  0.00           H  
HETATM   54  H   UNL     1      12.419   2.029  -1.244  1.00  0.00           H  
HETATM   55  H   UNL     1      10.573   3.620  -1.918  1.00  0.00           H  
HETATM   56  H   UNL     1       8.218   2.677  -1.645  1.00  0.00           H  
HETATM   57  H   UNL     1       5.904   0.010  -0.820  1.00  0.00           H  
HETATM   58  H   UNL     1       8.856  -1.649  -0.078  1.00  0.00           H  
HETATM   59  H   UNL     1       1.096   0.766  -0.380  1.00  0.00           H  
HETATM   60  H   UNL     1       1.565   1.995   0.842  1.00  0.00           H  
HETATM   61  H   UNL     1       5.894  -0.239   1.113  1.00  0.00           H  
HETATM   62  H   UNL     1       7.519  -3.800  -0.611  1.00  0.00           H  
HETATM   63  H   UNL     1       5.495  -5.035   0.046  1.00  0.00           H  
HETATM   64  H   UNL     1       3.674  -3.878   1.231  1.00  0.00           H  
HETATM   65  H   UNL     1       3.042  -1.991   2.619  1.00  0.00           H  
HETATM   66  H   UNL     1       3.967  -0.472   2.568  1.00  0.00           H  
HETATM   67  H   UNL     1       1.802   0.346   2.579  1.00  0.00           H  
HETATM   68  H   UNL     1       0.221  -1.369   2.742  1.00  0.00           H  
HETATM   69  H   UNL     1       0.395  -1.818   1.023  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3   39                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3    5    5   41                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   10   42                                            
CONECT    8    6    6   43                                            
CONECT    9   19   38   44                                            
CONECT   10    7   11   11   15                                       
CONECT   11   10   10   12   45                                       
CONECT   12   11   13   13   46                                       
CONECT   13   12   12   14   47                                       
CONECT   14   13   15   15   16                                       
CONECT   15   10   14   14   48                                       
CONECT   16   14   17   49   50                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   51   52                                       
CONECT   19    9   18   28   53                                       
CONECT   20   21   24                                                 
CONECT   21   20   22   22   54                                       
CONECT   22   21   21   23   55                                       
CONECT   23   22   24   24   56                                       
CONECT   24   20   23   23   25                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   30   58                                            
CONECT   27   25   25   57                                            
CONECT   28   19   37   59   60                                       
CONECT   29   30   30   34   61                                       
CONECT   30   26   29   29   31                                       
CONECT   31   30   32   32   62                                       
CONECT   32   31   31   33   63                                       
CONECT   33   32   34   34   64                                       
CONECT   34   29   33   33   35                                       
CONECT   35   34   36   65   66                                       
CONECT   36   35   37                                                 
CONECT   37   28   36   38   67                                       
CONECT   38    9   37   68   69                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
