COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       6.035  -4.215  -0.494  1.00  0.00          Cl  
HETATM    2  C   UNL     1       5.253  -2.690  -0.220  1.00  0.00           C  
HETATM    3  C   UNL     1       5.850  -1.520  -0.655  1.00  0.00           C  
HETATM    4  C   UNL     1       4.031  -2.646   0.428  1.00  0.00           C  
HETATM    5  C   UNL     1       3.407  -1.433   0.646  1.00  0.00           C  
HETATM    6  C   UNL     1       4.006  -0.258   0.215  1.00  0.00           C  
HETATM    7  O   UNL     1       3.394   0.936   0.429  1.00  0.00           O  
HETATM    8  C   UNL     1       2.547   1.427  -0.613  1.00  0.00           C  
HETATM    9  C   UNL     1       2.054   2.804  -0.252  1.00  0.00           C  
HETATM   10  C   UNL     1       2.778   3.919  -0.632  1.00  0.00           C  
HETATM   11  C   UNL     1       2.326   5.182  -0.301  1.00  0.00           C  
HETATM   12  C   UNL     1       1.149   5.332   0.409  1.00  0.00           C  
HETATM   13  C   UNL     1       0.425   4.217   0.789  1.00  0.00           C  
HETATM   14  C   UNL     1       0.874   2.954   0.453  1.00  0.00           C  
HETATM   15  C   UNL     1       5.229  -0.305  -0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       5.882   0.970  -0.907  1.00  0.00           C  
HETATM   17  C   UNL     1       6.671   1.576   0.225  1.00  0.00           C  
HETATM   18  C   UNL     1       7.951   1.816   0.076  1.00  0.00           C  
HETATM   19  C   UNL     1       2.075  -1.386   1.350  1.00  0.00           C  
HETATM   20  N   UNL     1       1.001  -1.245   0.358  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.314  -1.196   1.010  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.405  -1.048  -0.053  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.775  -0.997   0.626  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.819  -0.856  -0.392  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.114  -0.789  -0.024  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.416  -0.846   1.153  1.00  0.00           O  
HETATM   27  N   UNL     1      -6.075  -0.659  -0.960  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.417  -0.484  -0.572  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.939  -1.039   0.589  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.228  -0.776   0.807  1.00  0.00           C  
HETATM   31  S   UNL     1      -9.858   0.224  -0.496  1.00  0.00           S  
HETATM   32  C   UNL     1      -8.288   0.235  -1.290  1.00  0.00           C  
HETATM   33  H   UNL     1       6.802  -1.556  -1.163  1.00  0.00           H  
HETATM   34  H   UNL     1       3.565  -3.561   0.763  1.00  0.00           H  
HETATM   35  H   UNL     1       3.109   1.474  -1.546  1.00  0.00           H  
HETATM   36  H   UNL     1       1.696   0.757  -0.735  1.00  0.00           H  
HETATM   37  H   UNL     1       3.697   3.802  -1.187  1.00  0.00           H  
HETATM   38  H   UNL     1       2.891   6.053  -0.598  1.00  0.00           H  
HETATM   39  H   UNL     1       0.796   6.319   0.668  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.494   4.333   1.344  1.00  0.00           H  
HETATM   41  H   UNL     1       0.309   2.083   0.750  1.00  0.00           H  
HETATM   42  H   UNL     1       6.550   0.751  -1.740  1.00  0.00           H  
HETATM   43  H   UNL     1       5.115   1.673  -1.232  1.00  0.00           H  
HETATM   44  H   UNL     1       6.183   1.811   1.159  1.00  0.00           H  
HETATM   45  H   UNL     1       8.439   1.580  -0.858  1.00  0.00           H  
HETATM   46  H   UNL     1       8.516   2.250   0.887  1.00  0.00           H  
HETATM   47  H   UNL     1       1.930  -2.308   1.914  1.00  0.00           H  
HETATM   48  H   UNL     1       2.055  -0.536   2.032  1.00  0.00           H  
HETATM   49  H   UNL     1       1.039  -1.987  -0.324  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.476  -2.116   1.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.352  -0.344   1.689  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.243  -0.128  -0.614  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.368  -1.900  -0.732  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.937  -1.917   1.188  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.812  -0.145   1.305  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.579  -0.810  -1.330  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.842  -0.686  -1.901  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.346  -1.640   1.263  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.799  -1.123   1.655  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.062   0.740  -2.217  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    1    3    3                                       
CONECT    3    2    2   15   33                                       
CONECT    4    5    5    2   34                                       
CONECT    5   19    4    4    6                                       
CONECT    6    5   15   15    7                                       
CONECT    7    6    8                                                 
CONECT    8    9    7   35   36                                       
CONECT    9   14    8   10   10                                       
CONECT   10    9    9   11   37                                       
CONECT   11   12   12   10   38                                       
CONECT   12   13   11   11   39                                       
CONECT   13   14   14   12   40                                       
CONECT   14   13   13    9   41                                       
CONECT   15    6    6   16    3                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   18   18   44                                       
CONECT   18   17   17   45   46                                       
CONECT   19   20    5   47   48                                       
CONECT   20   21   19   49                                            
CONECT   21   22   20   50   51                                       
CONECT   22   23   21   52   53                                       
CONECT   23   24   22   54   55                                       
CONECT   24   25   23   56                                            
CONECT   25   27   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   57                                            
CONECT   28   29   32   32   27                                       
CONECT   29   30   30   28   58                                       
CONECT   30   31   29   29   59                                       
CONECT   31   30   32                                                 
CONECT   32   31   28   28   60                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
