COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.622  -0.054  -1.128  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.088   0.314  -0.404  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.060  -0.452  -0.688  1.00  0.00           N  
HETATM    4  N   UNL     1      -6.004   1.360   0.406  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.862   1.694   0.989  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.790   2.784   1.830  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.717   0.902   0.727  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.856  -0.202  -0.150  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.741  -1.000  -0.433  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.473   1.187   1.302  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.401   0.397   1.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.523  -0.695   0.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.337  -1.537  -0.145  1.00  0.00           C  
HETATM   14  C   UNL     1       0.894  -1.238   0.437  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.451  -2.632  -0.999  1.00  0.00           C  
HETATM   16  C   UNL     1       0.655  -3.411  -1.270  1.00  0.00           C  
HETATM   17  C   UNL     1       1.876  -3.107  -0.694  1.00  0.00           C  
HETATM   18  C   UNL     1       1.994  -2.025   0.160  1.00  0.00           C  
HETATM   19  S   UNL     1       3.553  -1.645   0.888  1.00  0.00           S  
HETATM   20  O   UNL     1       3.274  -0.906   2.069  1.00  0.00           O  
HETATM   21  O   UNL     1       4.302  -2.853   0.885  1.00  0.00           O  
HETATM   22  N   UNL     1       4.334  -0.608  -0.139  1.00  0.00           N  
HETATM   23  C   UNL     1       3.832   0.623  -0.364  1.00  0.00           C  
HETATM   24  O   UNL     1       2.809   0.970   0.185  1.00  0.00           O  
HETATM   25  C   UNL     1       4.544   1.567  -1.299  1.00  0.00           C  
HETATM   26  N   UNL     1       3.608   2.605  -1.751  1.00  0.00           N  
HETATM   27  C   UNL     1       5.718   2.221  -0.568  1.00  0.00           C  
HETATM   28  C   UNL     1       6.363   3.270  -1.475  1.00  0.00           C  
HETATM   29  O   UNL     1       5.245   2.849   0.625  1.00  0.00           O  
HETATM   30  H   UNL     1      -5.582   3.318   2.002  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.948   3.018   2.251  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.831  -1.845  -1.099  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.365   2.030   1.968  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.442   0.620   1.467  1.00  0.00           H  
HETATM   35  H   UNL     1       0.987  -0.394   1.103  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.403  -2.870  -1.449  1.00  0.00           H  
HETATM   37  H   UNL     1       0.568  -4.260  -1.931  1.00  0.00           H  
HETATM   38  H   UNL     1       2.739  -3.720  -0.908  1.00  0.00           H  
HETATM   39  H   UNL     1       5.153  -0.886  -0.579  1.00  0.00           H  
HETATM   40  H   UNL     1       4.916   1.013  -2.161  1.00  0.00           H  
HETATM   41  H   UNL     1       3.249   3.133  -0.970  1.00  0.00           H  
HETATM   42  H   UNL     1       4.043   3.213  -2.429  1.00  0.00           H  
HETATM   43  H   UNL     1       6.455   1.460  -0.310  1.00  0.00           H  
HETATM   44  H   UNL     1       5.626   4.031  -1.733  1.00  0.00           H  
HETATM   45  H   UNL     1       7.199   3.736  -0.954  1.00  0.00           H  
HETATM   46  H   UNL     1       6.724   2.791  -2.385  1.00  0.00           H  
HETATM   47  H   UNL     1       4.584   3.539   0.472  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    8                                            
CONECT    4    2    5    5                                            
CONECT    5    4    4    7    6                                       
CONECT    6    5   30   31                                            
CONECT    7    8    5   10   10                                       
CONECT    8    3    9    9    7                                       
CONECT    9    8    8   12   32                                       
CONECT   10    7    7   11   33                                       
CONECT   11   12   12   10   34                                       
CONECT   12    9   13   11   11                                       
CONECT   13   15   12   14   14                                       
CONECT   14   13   13   18   35                                       
CONECT   15   16   16   13   36                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   14   19                                       
CONECT   19   18   22   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   19   39                                            
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   27   23   26   40                                       
CONECT   26   25   41   42                                            
CONECT   27   28   29   25   43                                       
CONECT   28   27   44   45   46                                       
CONECT   29   27   47                                                 
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
