COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.382   0.084  -0.338  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.266  -1.628  -1.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.547  -2.141  -1.094  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.560  -1.500  -0.394  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.289  -0.343   0.324  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.998   1.618   1.804  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.674   1.011   0.096  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.802   0.170  -0.334  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.091   0.991  -0.212  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.550   2.355  -0.490  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.901   3.068  -0.355  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.030  -3.201  -1.168  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.209   2.557  -0.714  1.00  0.00           C  
HETATM   14  C   UNL     1       2.573   0.284  -0.217  1.00  0.00           C  
HETATM   15  N   UNL     1       1.811  -1.976   0.047  1.00  0.00           N  
HETATM   16  C   UNL     1       4.122  -1.527   0.132  1.00  0.00           C  
HETATM   17  C   UNL     1       6.341   0.218   0.031  1.00  0.00           C  
HETATM   18  C   UNL     1       7.318   1.392  -0.068  1.00  0.00           C  
HETATM   19  C   UNL     1       9.725   1.761   0.028  1.00  0.00           C  
HETATM   20  C   UNL     1      11.136   1.254   0.182  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.989  -0.468  -0.356  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.011   0.175   0.343  1.00  0.00           C  
HETATM   23  S   UNL     1      -4.579   0.464   1.212  1.00  0.00           S  
HETATM   24  O   UNL     1      -5.242  -0.544   1.962  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.925   2.232  -0.902  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.821  -2.008  -0.410  1.00  0.00           O  
HETATM   27  C   UNL     1       0.739   1.406  -0.494  1.00  0.00           C  
HETATM   28  N   UNL     1       2.063   1.492  -0.416  1.00  0.00           N  
HETATM   29  N   UNL     1       1.545  -0.619  -0.158  1.00  0.00           N  
HETATM   30  C   UNL     1       3.038  -2.408   0.185  1.00  0.00           C  
HETATM   31  C   UNL     1       3.902  -0.178  -0.063  1.00  0.00           C  
HETATM   32 CL   UNL     1       3.325  -4.103   0.430  1.00  0.00          Cl  
HETATM   33  N   UNL     1       4.970   0.711  -0.118  1.00  0.00           N  
HETATM   34  N   UNL     1       8.690   0.899   0.082  1.00  0.00           N  
HETATM   35  O   UNL     1       9.521   2.944  -0.144  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.479  -2.127  -1.626  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.762  -3.040  -1.651  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.658  -0.135  -1.370  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.866  -0.712   0.303  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.919   0.437  -0.655  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.302   1.184   0.840  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.783   2.919   0.042  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.281   2.273  -1.543  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.115   3.266   0.696  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.866   4.009  -0.904  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.076  -3.498  -1.097  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.774  -3.018  -2.212  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.399  -3.997  -0.774  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.506   2.972   0.249  1.00  0.00           H  
HETATM   50  H   UNL     1       0.286   3.327  -1.305  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.093   2.203  -1.245  1.00  0.00           H  
HETATM   52  H   UNL     1       5.128  -1.900   0.248  1.00  0.00           H  
HETATM   53  H   UNL     1       6.557  -0.502  -0.758  1.00  0.00           H  
HETATM   54  H   UNL     1       6.450  -0.264   1.003  1.00  0.00           H  
HETATM   55  H   UNL     1       7.209   1.874  -1.039  1.00  0.00           H  
HETATM   56  H   UNL     1       7.102   2.112   0.722  1.00  0.00           H  
HETATM   57  H   UNL     1      11.832   2.090   0.112  1.00  0.00           H  
HETATM   58  H   UNL     1      11.245   0.772   1.153  1.00  0.00           H  
HETATM   59  H   UNL     1      11.351   0.535  -0.608  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.802   1.076   0.902  1.00  0.00           H  
HETATM   61  H   UNL     1       4.806   1.657  -0.256  1.00  0.00           H  
HETATM   62  H   UNL     1       8.853  -0.047   0.219  1.00  0.00           H  
CONECT    1   29   21   27   27                                       
CONECT    2   21   21    3   36                                       
CONECT    3    4    4    2   37                                       
CONECT    4    5   26    3    3                                       
CONECT    5   23   22   22    4                                       
CONECT    6   23   23                                                 
CONECT    7   10    8   23                                            
CONECT    8    9    7   38   39                                       
CONECT    9   25    8   40   41                                       
CONECT   10   11    7   42   43                                       
CONECT   11   25   10   44   45                                       
CONECT   12   26   46   47   48                                       
CONECT   13   27   49   50   51                                       
CONECT   14   31   29   28   28                                       
CONECT   15   30   30   29                                            
CONECT   16   30   31   31   52                                       
CONECT   17   18   33   53   54                                       
CONECT   18   34   17   55   56                                       
CONECT   19   20   35   35   34                                       
CONECT   20   19   57   58   59                                       
CONECT   21   22    1    2    2                                       
CONECT   22    5    5   21   60                                       
CONECT   23    7    6    6   24                                       
CONECT   23   24    5                                                 
CONECT   24   23   23                                                 
CONECT   25   11    9                                                 
CONECT   26    4   12                                                 
CONECT   27    1    1   28   13                                       
CONECT   28   14   14   27                                            
CONECT   29   15   14    1                                            
CONECT   30   32   16   15   15                                       
CONECT   31   16   16   33   14                                       
CONECT   32   30                                                      
CONECT   33   17   31   61                                            
CONECT   34   19   18   62                                            
CONECT   35   19   19                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
