COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.182  -2.755   0.561  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.985  -3.285   1.005  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.261  -2.631   1.986  1.00  0.00           C  
HETATM    4 CL   UNL     1       1.242  -3.296   2.544  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -0.735  -1.447   2.522  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.932  -0.918   2.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.652  -1.569   1.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.957  -0.991   0.608  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.689   0.064  -0.373  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.592  -0.267  -1.796  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.840  -1.058  -2.241  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.292  -2.094  -3.254  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.934  -2.498  -2.629  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.381  -1.183  -2.043  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.496   1.631   0.128  1.00  0.00           S  
HETATM   16  O   UNL     1      -3.995   2.451  -0.920  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.986   1.689   1.461  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.764   1.939   0.220  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.108   1.841   1.433  1.00  0.00           C  
HETATM   20  C   UNL     1       0.252   2.078   1.504  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.060   2.274  -0.922  1.00  0.00           C  
HETATM   22  C   UNL     1       0.299   2.515  -0.850  1.00  0.00           C  
HETATM   23  C   UNL     1       0.956   2.412   0.363  1.00  0.00           C  
HETATM   24  S   UNL     1       2.690   2.715   0.454  1.00  0.00           S  
HETATM   25  O   UNL     1       3.013   3.537  -0.660  1.00  0.00           O  
HETATM   26  O   UNL     1       2.962   3.086   1.798  1.00  0.00           O  
HETATM   27  N   UNL     1       3.454   1.267   0.204  1.00  0.00           N  
HETATM   28  C   UNL     1       3.339   0.593  -1.092  1.00  0.00           C  
HETATM   29  C   UNL     1       4.392  -0.481  -1.194  1.00  0.00           C  
HETATM   30  C   UNL     1       5.637  -0.181  -1.714  1.00  0.00           C  
HETATM   31  C   UNL     1       6.602  -1.166  -1.808  1.00  0.00           C  
HETATM   32  C   UNL     1       6.323  -2.451  -1.381  1.00  0.00           C  
HETATM   33  C   UNL     1       5.078  -2.750  -0.860  1.00  0.00           C  
HETATM   34  C   UNL     1       4.114  -1.764  -0.761  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.747  -3.265  -0.204  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.616  -4.210   0.587  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.170  -0.937   3.288  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.300   0.009   2.493  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.552  -1.777   0.143  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.505  -0.572   1.452  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.497   0.644  -2.386  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.296  -1.563  -1.389  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.560  -0.396  -2.721  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.957  -2.955  -3.325  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.146  -1.636  -4.233  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.082  -3.235  -1.840  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.263  -2.887  -3.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.698  -0.716  -2.753  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.865  -1.381  -1.104  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.658   1.579   2.325  1.00  0.00           H  
HETATM   51  H   UNL     1       0.765   2.002   2.452  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.572   2.346  -1.870  1.00  0.00           H  
HETATM   53  H   UNL     1       0.849   2.776  -1.741  1.00  0.00           H  
HETATM   54  H   UNL     1       3.977   0.866   0.915  1.00  0.00           H  
HETATM   55  H   UNL     1       2.351   0.142  -1.181  1.00  0.00           H  
HETATM   56  H   UNL     1       3.481   1.318  -1.893  1.00  0.00           H  
HETATM   57  H   UNL     1       5.855   0.823  -2.048  1.00  0.00           H  
HETATM   58  H   UNL     1       7.575  -0.932  -2.216  1.00  0.00           H  
HETATM   59  H   UNL     1       7.077  -3.220  -1.455  1.00  0.00           H  
HETATM   60  H   UNL     1       4.860  -3.754  -0.526  1.00  0.00           H  
HETATM   61  H   UNL     1       3.143  -1.997  -0.350  1.00  0.00           H  
CONECT    1    7    2    2   35                                       
CONECT    2    1    1    3   36                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3                                                      
CONECT    5    6    3    3   37                                       
CONECT    6    7    7    5   38                                       
CONECT    7    8    6    6    1                                       
CONECT    8    9    7   39   40                                       
CONECT    9   10    8   15                                            
CONECT   10   11   14    9   41                                       
CONECT   11   12   10   42   43                                       
CONECT   12   13   11   44   45                                       
CONECT   13   12   14   46   47                                       
CONECT   14   13   10   48   49                                       
CONECT   15   18    9   17   17                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   19   19   21   15                                       
CONECT   19   20   18   18   50                                       
CONECT   20   23   23   19   51                                       
CONECT   21   22   22   18   52                                       
CONECT   22   23   21   21   53                                       
CONECT   23   24   20   20   22                                       
CONECT   24   25   25   26   26                                       
CONECT   24   27   23                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28   54                                            
CONECT   28   29   27   55   56                                       
CONECT   29   30   28   34   34                                       
CONECT   30   31   31   29   57                                       
CONECT   31   30   30   32   58                                       
CONECT   32   31   33   33   59                                       
CONECT   33   32   32   34   60                                       
CONECT   34   29   29   33   61                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
