COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.655   0.658  -1.860  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.432   0.798  -2.486  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.282   0.333  -1.878  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.350  -0.279  -0.632  1.00  0.00           C  
HETATM    5  C   UNL     1       1.799  -1.291  -0.766  1.00  0.00           C  
HETATM    6  C   UNL     1       3.018  -1.875  -0.100  1.00  0.00           C  
HETATM    7  C   UNL     1       4.170  -1.941  -1.107  1.00  0.00           C  
HETATM    8  C   UNL     1       5.386  -2.591  -0.443  1.00  0.00           C  
HETATM    9  C   UNL     1       3.961  -3.900   1.016  1.00  0.00           C  
HETATM   10  C   UNL     1       2.702  -3.289   0.396  1.00  0.00           C  
HETATM   11  C   UNL     1       3.628   0.334   0.845  1.00  0.00           C  
HETATM   12  C   UNL     1       4.073   1.119   1.902  1.00  0.00           C  
HETATM   13  C   UNL     1       4.296   2.468   1.711  1.00  0.00           C  
HETATM   14  C   UNL     1       3.634   2.259  -0.584  1.00  0.00           C  
HETATM   15  C   UNL     1       4.077   3.039   0.470  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.574  -0.424   0.004  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.698   0.477  -0.066  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.315   0.110   0.277  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.232   0.343  -0.496  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.045  -0.105   0.065  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.181  -0.689   1.272  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.732   0.046  -0.610  1.00  0.00           C  
HETATM   23  C   UNL     1       3.409   0.909  -0.400  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.726   0.185   0.807  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.952   1.078  -1.198  1.00  0.00           N  
HETATM   26  N   UNL     1       0.817  -0.750  -0.019  1.00  0.00           N  
HETATM   27  N   UNL     1       5.032  -3.941   0.014  1.00  0.00           N  
HETATM   28  N   UNL     1       3.407  -1.033   1.034  1.00  0.00           N  
HETATM   29  O   UNL     1       1.703  -1.308  -1.975  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.817  -0.692   1.760  1.00  0.00           S  
HETATM   31 CL   UNL     1       4.359   4.735   0.234  1.00  0.00          Cl  
HETATM   32  H   UNL     1      -3.551   1.028  -2.336  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.375   1.273  -3.455  1.00  0.00           H  
HETATM   34  H   UNL     1       0.671   0.444  -2.372  1.00  0.00           H  
HETATM   35  H   UNL     1       3.866  -2.535  -1.969  1.00  0.00           H  
HETATM   36  H   UNL     1       4.428  -0.933  -1.432  1.00  0.00           H  
HETATM   37  H   UNL     1       6.203  -2.652  -1.161  1.00  0.00           H  
HETATM   38  H   UNL     1       5.697  -1.989   0.411  1.00  0.00           H  
HETATM   39  H   UNL     1       4.279  -3.292   1.863  1.00  0.00           H  
HETATM   40  H   UNL     1       3.743  -4.912   1.357  1.00  0.00           H  
HETATM   41  H   UNL     1       1.912  -3.244   1.145  1.00  0.00           H  
HETATM   42  H   UNL     1       2.375  -3.904  -0.443  1.00  0.00           H  
HETATM   43  H   UNL     1       4.244   0.674   2.871  1.00  0.00           H  
HETATM   44  H   UNL     1       4.641   3.079   2.532  1.00  0.00           H  
HETATM   45  H   UNL     1       3.463   2.707  -1.552  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.628  -0.899   0.972  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.286   0.831  -1.458  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.367  -1.094   1.854  1.00  0.00           H  
HETATM   49  H   UNL     1       3.064   0.301  -1.223  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.537  -0.261   1.648  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.864   1.320  -1.424  1.00  0.00           H  
HETATM   52  H   UNL     1       0.918  -0.687   0.943  1.00  0.00           H  
HETATM   53  H   UNL     1       5.842  -4.426   0.370  1.00  0.00           H  
HETATM   54  H   UNL     1       3.511  -1.424   1.915  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.638   0.427   0.581  1.00  0.00           H  
CONECT    1   22   22    2   32                                       
CONECT    2    1    3    3   33                                       
CONECT    3    2    2    4   34                                       
CONECT    4   16   16    3   26                                       
CONECT    5   26   29   29    6                                       
CONECT    6    5   10    7   28                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7   27   37   38                                       
CONECT    9   10   27   39   40                                       
CONECT   10    6    9   41   42                                       
CONECT   11   28   12   12   23                                       
CONECT   12   11   11   13   43                                       
CONECT   13   12   15   15   44                                       
CONECT   14   23   23   15   45                                       
CONECT   15   13   13   14   31                                       
CONECT   16   22    4    4   46                                       
CONECT   17   25   25   18   24                                       
CONECT   18   30   17   19   19                                       
CONECT   19   18   18   20   47                                       
CONECT   20   21   21   19   22                                       
CONECT   21   30   20   20   48                                       
CONECT   22   20    1    1   16                                       
CONECT   23   11   14   14   49                                       
CONECT   24   17   50   55                                            
CONECT   25   17   17   51                                            
CONECT   26    4    5   52                                            
CONECT   27    9    8   53                                            
CONECT   28    6   11   54                                            
CONECT   29    5    5                                                 
CONECT   30   21   18                                                 
CONECT   31   15                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   24                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
