COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.863   0.520   1.604  1.00  0.00           C  
HETATM    2  C   UNL     1       6.756   0.319   0.602  1.00  0.00           C  
HETATM    3  C   UNL     1       5.528   0.832   0.828  1.00  0.00           C  
HETATM    4  N   UNL     1       4.534   0.641  -0.093  1.00  0.00           N  
HETATM    5  C   UNL     1       4.769  -0.054  -1.221  1.00  0.00           C  
HETATM    6  O   UNL     1       3.871  -0.213  -2.025  1.00  0.00           O  
HETATM    7  N   UNL     1       5.984  -0.576  -1.471  1.00  0.00           N  
HETATM    8  C   UNL     1       6.991  -0.405  -0.591  1.00  0.00           C  
HETATM    9  O   UNL     1       8.091  -0.877  -0.817  1.00  0.00           O  
HETATM   10  C   UNL     1       3.201   1.197   0.152  1.00  0.00           C  
HETATM   11  C   UNL     1       2.840   2.171  -0.972  1.00  0.00           C  
HETATM   12  C   UNL     1       1.461   2.778  -0.701  1.00  0.00           C  
HETATM   13  C   UNL     1       0.413   1.661  -0.672  1.00  0.00           C  
HETATM   14  N   UNL     1       0.829   0.647   0.305  1.00  0.00           N  
HETATM   15  C   UNL     1       2.172   0.063   0.190  1.00  0.00           C  
HETATM   16  S   UNL     1      -0.197   0.170   1.515  1.00  0.00           S  
HETATM   17  O   UNL     1       0.622  -0.344   2.556  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.117   1.237   1.704  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.132  -1.191   0.900  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.665  -2.480   1.068  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.395  -3.552   0.587  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.598  -3.334  -0.064  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.069  -2.034  -0.233  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.335  -0.966   0.256  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.250  -1.815  -0.871  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.666  -0.530  -1.018  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.299   0.195  -2.142  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.724   1.501  -2.290  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.515   2.087  -1.318  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.882   1.366  -0.196  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.464   0.057  -0.046  1.00  0.00           C  
HETATM   32 CL   UNL     1      -6.874   2.105   1.023  1.00  0.00          Cl  
HETATM   33  O   UNL     1      -3.317  -4.386  -0.538  1.00  0.00           O  
HETATM   34  H   UNL     1       7.856  -0.299   2.323  1.00  0.00           H  
HETATM   35  H   UNL     1       8.823   0.540   1.087  1.00  0.00           H  
HETATM   36  H   UNL     1       7.713   1.464   2.128  1.00  0.00           H  
HETATM   37  H   UNL     1       5.331   1.391   1.731  1.00  0.00           H  
HETATM   38  H   UNL     1       6.137  -1.071  -2.291  1.00  0.00           H  
HETATM   39  H   UNL     1       3.196   1.725   1.106  1.00  0.00           H  
HETATM   40  H   UNL     1       3.584   2.966  -1.018  1.00  0.00           H  
HETATM   41  H   UNL     1       2.820   1.638  -1.923  1.00  0.00           H  
HETATM   42  H   UNL     1       1.473   3.291   0.261  1.00  0.00           H  
HETATM   43  H   UNL     1       1.215   3.489  -1.489  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.553   2.075  -0.382  1.00  0.00           H  
HETATM   45  H   UNL     1       0.334   1.209  -1.661  1.00  0.00           H  
HETATM   46  H   UNL     1       2.239  -0.521  -0.728  1.00  0.00           H  
HETATM   47  H   UNL     1       2.367  -0.578   1.049  1.00  0.00           H  
HETATM   48  H   UNL     1       0.273  -2.652   1.575  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.027  -4.559   0.719  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.698   0.043   0.127  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.682  -0.261  -2.902  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.439   2.066  -3.165  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.845   3.108  -1.435  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.751  -0.506   0.830  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.953  -4.746   0.097  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    8    1    3    3                                       
CONECT    3    2    2    4   37                                       
CONECT    4    5    3   10                                            
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   38                                            
CONECT    8    9    9    7    2                                       
CONECT    9    8    8                                                 
CONECT   10    4   15   11   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   14   12   44   45                                       
CONECT   14   15   16   13                                            
CONECT   15   10   14   46   47                                       
CONECT   16   18   18   14   19                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   24   20   20                                       
CONECT   20   19   19   21   48                                       
CONECT   21   22   22   20   49                                       
CONECT   22   23   33   21   21                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23   19   50                                       
CONECT   25   26   23                                                 
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   51                                       
CONECT   28   29   27   27   52                                       
CONECT   29   30   30   28   53                                       
CONECT   30   32   29   29   31                                       
CONECT   31   30   26   26   54                                       
CONECT   32   30                                                      
CONECT   33   22   55                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
