COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.049  -0.651   0.337  1.00  0.00           C  
HETATM    2  C   UNL     1       4.370  -0.614  -0.073  1.00  0.00           C  
HETATM    3 CL   UNL     1       5.245  -2.093  -0.318  1.00  0.00          Cl  
HETATM    4  C   UNL     1       4.993   0.602  -0.289  1.00  0.00           C  
HETATM    5  C   UNL     1       4.295   1.781  -0.094  1.00  0.00           C  
HETATM    6 CL   UNL     1       5.077   3.307  -0.358  1.00  0.00          Cl  
HETATM    7  C   UNL     1       2.974   1.742   0.316  1.00  0.00           C  
HETATM    8  C   UNL     1       2.350   0.526   0.526  1.00  0.00           C  
HETATM    9  S   UNL     1       0.668   0.478   1.048  1.00  0.00           S  
HETATM   10  N   UNL     1      -0.018   1.738   0.635  1.00  0.00           N  
HETATM   11  O   UNL     1       0.614   0.351   2.462  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.090  -0.819   0.348  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.091  -0.981  -1.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.398  -0.436  -1.637  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.383   0.534  -2.376  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.003  -2.452  -1.493  1.00  0.00           C  
HETATM   17  C   UNL     1       0.463  -3.378  -0.401  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.121  -3.171   0.983  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.761  -1.812   1.175  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.269  -1.810   1.012  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.826  -0.474   1.434  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.692  -0.406   2.414  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.703  -2.139  -0.410  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.567  -0.999  -1.312  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.787  -0.442  -1.927  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.351   0.636  -1.036  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.150   0.307  -0.041  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.667   1.216   0.763  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.384   2.557   0.588  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.546   2.941  -0.448  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.018   1.957  -1.269  1.00  0.00           C  
HETATM   32  H   UNL     1       2.562  -1.601   0.505  1.00  0.00           H  
HETATM   33  H   UNL     1       6.024   0.632  -0.609  1.00  0.00           H  
HETATM   34  H   UNL     1       2.429   2.662   0.468  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.955   1.873   0.846  1.00  0.00           H  
HETATM   36  H   UNL     1       0.744  -0.423  -1.541  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.954  -2.789  -1.908  1.00  0.00           H  
HETATM   38  H   UNL     1       0.720  -2.527  -2.331  1.00  0.00           H  
HETATM   39  H   UNL     1       0.253  -4.415  -0.708  1.00  0.00           H  
HETATM   40  H   UNL     1       1.560  -3.304  -0.322  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.872  -3.946   1.171  1.00  0.00           H  
HETATM   42  H   UNL     1       0.675  -3.296   1.726  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.560  -1.521   2.222  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.689  -2.574   1.685  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.511   0.427   0.928  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.007  -1.307   2.920  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.092   0.551   2.717  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.153  -3.003  -0.777  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.767  -2.430  -0.386  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.543  -0.018  -2.901  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.526  -1.234  -2.051  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.318   0.908   1.568  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.810   3.296   1.250  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.308   3.982  -0.609  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.362   2.220  -2.086  1.00  0.00           H  
CONECT    1    8    8    2   32                                       
CONECT    2    4    4    1    3                                       
CONECT    3    2                                                      
CONECT    4    5    2    2   33                                       
CONECT    5    6    7    7    4                                       
CONECT    6    5                                                      
CONECT    7    5    5    8   34                                       
CONECT    8    7    9    1    1                                       
CONECT    9   10   10   12    8                                       
CONECT    9   11   11                                                 
CONECT   10    9    9   35                                            
CONECT   11    9    9                                                 
CONECT   12   19    9   13                                            
CONECT   13   12   16   14   36                                       
CONECT   14   24   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   13   37   38                                       
CONECT   17   18   16   39   40                                       
CONECT   18   19   17   41   42                                       
CONECT   19   18   20   12   43                                       
CONECT   20   21   19   23   44                                       
CONECT   21   22   22   20   45                                       
CONECT   22   21   21   46   47                                       
CONECT   23   20   24   48   49                                       
CONECT   24   23   25   14                                            
CONECT   25   24   26   50   51                                       
CONECT   26   31   25   27   27                                       
CONECT   27   26   26   28                                            
CONECT   28   29   29   27   52                                       
CONECT   29   30   28   28   53                                       
CONECT   30   31   31   29   54                                       
CONECT   31   30   30   26   55                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
