COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.123   2.506   1.875  1.00  0.00           O  
HETATM    2  S   UNL     1       2.048   1.600   1.669  1.00  0.00           S  
HETATM    3  O   UNL     1       1.481   0.817   2.711  1.00  0.00           O  
HETATM    4  C   UNL     1       0.729   2.541   0.979  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.529   2.489   1.549  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.565   3.227   1.008  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.343   4.018  -0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.085   4.071  -0.675  1.00  0.00           C  
HETATM    9  C   UNL     1       0.953   3.337  -0.130  1.00  0.00           C  
HETATM   10 CL   UNL     1       2.534   3.409  -0.842  1.00  0.00          Cl  
HETATM   11  N   UNL     1       2.552   0.534   0.506  1.00  0.00           N  
HETATM   12  C   UNL     1       1.710  -0.510   0.101  1.00  0.00           C  
HETATM   13  C   UNL     1       2.256  -1.723  -0.322  1.00  0.00           C  
HETATM   14  N   UNL     1       3.643  -1.893  -0.347  1.00  0.00           N  
HETATM   15  C   UNL     1       4.123  -2.109  -1.720  1.00  0.00           C  
HETATM   16  C   UNL     1       5.649  -2.231  -1.708  1.00  0.00           C  
HETATM   17  O   UNL     1       6.031  -3.292  -0.828  1.00  0.00           O  
HETATM   18  C   UNL     1       5.581  -3.114   0.517  1.00  0.00           C  
HETATM   19  C   UNL     1       4.054  -3.001   0.528  1.00  0.00           C  
HETATM   20  C   UNL     1       1.423  -2.761  -0.717  1.00  0.00           C  
HETATM   21  C   UNL     1       0.054  -2.596  -0.694  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.498  -1.386  -0.273  1.00  0.00           C  
HETATM   23  C   UNL     1       0.337  -0.342   0.126  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.968  -1.210  -0.249  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.576  -0.044  -0.906  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.803   0.914  -1.560  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.416   1.989  -2.163  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.797   2.131  -2.125  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.581   1.197  -1.485  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.981   0.100  -0.869  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.764  -0.926  -0.173  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.109  -1.981   0.412  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.721  -2.095   0.353  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.050  -1.099   0.047  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.230  -2.179   0.722  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.080  -2.753   0.970  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.871  -4.035   1.733  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.703   1.870   2.417  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.548   3.186   1.453  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.153   4.594  -0.527  1.00  0.00           H  
HETATM   41  H   UNL     1       0.088   4.689  -1.544  1.00  0.00           H  
HETATM   42  H   UNL     1       3.429   0.633   0.104  1.00  0.00           H  
HETATM   43  H   UNL     1       3.687  -3.026  -2.118  1.00  0.00           H  
HETATM   44  H   UNL     1       3.830  -1.265  -2.345  1.00  0.00           H  
HETATM   45  H   UNL     1       6.004  -2.448  -2.716  1.00  0.00           H  
HETATM   46  H   UNL     1       6.086  -1.295  -1.361  1.00  0.00           H  
HETATM   47  H   UNL     1       5.887  -3.969   1.120  1.00  0.00           H  
HETATM   48  H   UNL     1       6.016  -2.204   0.929  1.00  0.00           H  
HETATM   49  H   UNL     1       3.710  -2.808   1.545  1.00  0.00           H  
HETATM   50  H   UNL     1       3.617  -3.932   0.167  1.00  0.00           H  
HETATM   51  H   UNL     1       1.848  -3.698  -1.044  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.592  -3.405  -1.003  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.087   0.594   0.458  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.728   0.813  -1.594  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.817   2.731  -2.669  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.261   2.981  -2.603  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.655   1.313  -1.460  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.898  -4.878   1.042  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.902  -4.006   2.233  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.660  -4.149   2.476  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   11    1    1    3                                       
CONECT    2    3    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   38                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    9    9    7   41                                       
CONECT    9    4   10    8    8                                       
CONECT   10    9                                                      
CONECT   11   12    2   42                                            
CONECT   12   13   13   23   11                                       
CONECT   13   20   14   12   12                                       
CONECT   14   15   13   19                                            
CONECT   15   16   14   43   44                                       
CONECT   16   15   17   45   46                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   47   48                                       
CONECT   19   14   18   49   50                                       
CONECT   20   21   21   13   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22   12   53                                       
CONECT   24   33   33   22   25                                       
CONECT   25   24   30   30   26                                       
CONECT   26   25   27   27   54                                       
CONECT   27   26   26   28   55                                       
CONECT   28   29   29   27   56                                       
CONECT   29   30   28   28   57                                       
CONECT   30   31   25   25   29                                       
CONECT   31   32   34   34   30                                       
CONECT   32   36   33   31                                            
CONECT   33   32   24   24                                            
CONECT   34   35   31   31                                            
CONECT   35   36   36   34                                            
CONECT   36   37   35   35   32                                       
CONECT   37   36   58   59   60                                       
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   37                                                      
CONECT   59   37                                                      
CONECT   60   37                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
