COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.721  -0.333   0.864  1.00  0.00           C  
HETATM    2  S   UNL     1       2.640   2.761  -1.045  1.00  0.00           S  
HETATM    3  O   UNL     1       3.191   3.601  -0.040  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.578   0.674  -0.934  1.00  0.00           C  
HETATM    5  C   UNL     1       0.074   1.951  -1.473  1.00  0.00           C  
HETATM    6  N   UNL     1       1.115   2.377  -0.525  1.00  0.00           N  
HETATM    7  C   UNL     1       0.065   1.142   1.294  1.00  0.00           C  
HETATM    8  C   UNL     1       0.759   2.450   0.902  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.092   0.918   0.419  1.00  0.00           N  
HETATM   10  O   UNL     1       2.504   3.102  -2.418  1.00  0.00           O  
HETATM   11  C   UNL     1       4.287   0.957   0.115  1.00  0.00           C  
HETATM   12  C   UNL     1       3.597   1.282  -1.011  1.00  0.00           C  
HETATM   13  C   UNL     1       5.091  -1.055  -1.001  1.00  0.00           C  
HETATM   14  C   UNL     1       4.369  -0.683  -2.148  1.00  0.00           C  
HETATM   15  C   UNL     1       3.640   0.466  -2.141  1.00  0.00           C  
HETATM   16  C   UNL     1       5.047  -0.225   0.148  1.00  0.00           C  
HETATM   17 CL   UNL     1       7.486  -4.019   0.193  1.00  0.00          Cl  
HETATM   18  C   UNL     1       5.769  -0.597   1.295  1.00  0.00           C  
HETATM   19  C   UNL     1       5.855  -2.234  -0.970  1.00  0.00           C  
HETATM   20  C   UNL     1       6.499  -1.745   1.288  1.00  0.00           C  
HETATM   21  C   UNL     1       6.542  -2.562   0.159  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.398   1.229   2.725  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.504   1.642   2.978  1.00  0.00           O  
HETATM   24  O   UNL     1       0.419   0.847   3.719  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.677  -2.196  -1.591  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.941  -0.915   0.495  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.191  -1.067  -0.097  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.422  -2.075  -1.033  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.081  -1.964  -0.063  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.245  -0.212   0.227  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.412   0.374   0.036  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.076  -0.496   0.173  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.678  -1.856   0.538  1.00  0.00           C  
HETATM   34  N   UNL     1      -9.649  -1.366  -1.259  1.00  0.00           N  
HETATM   35  C   UNL     1      -9.469  -0.396  -0.382  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.027   0.610   0.642  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.078  -1.175   0.606  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.865  -0.303   1.944  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.400   0.382  -1.587  1.00  0.00           H  
HETATM   40  H   UNL     1       0.162  -0.126  -0.903  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.678   2.735  -1.569  1.00  0.00           H  
HETATM   42  H   UNL     1       0.523   1.751  -2.446  1.00  0.00           H  
HETATM   43  H   UNL     1       0.765   0.313   1.189  1.00  0.00           H  
HETATM   44  H   UNL     1       0.084   3.289   1.069  1.00  0.00           H  
HETATM   45  H   UNL     1       1.662   2.580   1.499  1.00  0.00           H  
HETATM   46  H   UNL     1       4.248   1.601   0.981  1.00  0.00           H  
HETATM   47  H   UNL     1       4.392  -1.305  -3.030  1.00  0.00           H  
HETATM   48  H   UNL     1       3.086   0.750  -3.023  1.00  0.00           H  
HETATM   49  H   UNL     1       5.745   0.026   2.177  1.00  0.00           H  
HETATM   50  H   UNL     1       5.897  -2.876  -1.838  1.00  0.00           H  
HETATM   51  H   UNL     1       7.052  -2.029   2.171  1.00  0.00           H  
HETATM   52  H   UNL     1       0.123   0.903   4.638  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.867  -2.976  -2.313  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.632  -2.757  -1.310  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.021  -1.847  -1.145  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.502  -2.941   0.173  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.104   0.583   0.944  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.335   0.367  -1.052  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.084   1.173   0.346  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.945  -0.433  -0.907  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.049  -2.652   0.139  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.738  -1.949   1.623  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.290   0.261  -0.137  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.098   0.592   1.730  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.647   1.579   0.317  1.00  0.00           H  
CONECT    1    9   32   37   38                                       
CONECT    2    3    3    6   10                                       
CONECT    2   10   12                                                 
CONECT    3    2    2                                                 
CONECT    4    5    9   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    2    5    8                                            
CONECT    7    8    9   22   43                                       
CONECT    8    6    7   44   45                                       
CONECT    9    1    4    7                                            
CONECT   10    2    2                                                 
CONECT   11   12   16   16   46                                       
CONECT   12    2   11   15   15                                       
CONECT   13   14   14   16   19                                       
CONECT   14   13   13   15   47                                       
CONECT   15   12   12   14   48                                       
CONECT   16   11   11   13   18                                       
CONECT   17   21                                                      
CONECT   18   16   20   20   49                                       
CONECT   19   13   21   21   50                                       
CONECT   20   18   18   21   51                                       
CONECT   21   17   19   19   20                                       
CONECT   22    7   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   52                                                 
CONECT   25   28   28   34   53                                       
CONECT   26   27   29   31                                            
CONECT   27   26   28   30   30                                       
CONECT   28   25   25   27   54                                       
CONECT   29   26   33   55   56                                       
CONECT   30   27   27   35   57                                       
CONECT   31   26   36   58   59                                       
CONECT   32    1   33   36   60                                       
CONECT   33   29   32   61   62                                       
CONECT   34   25   35   35                                            
CONECT   35   30   34   34   63                                       
CONECT   36   31   32   64   65                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
