COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.767  -0.312  -0.360  1.00  0.00           C  
HETATM    2  C   UNL     1       1.660  -0.092  -0.337  1.00  0.00           C  
HETATM    3  C   UNL     1       1.985   0.734  -1.583  1.00  0.00           C  
HETATM    4  C   UNL     1       1.018   0.363  -2.709  1.00  0.00           C  
HETATM    5  C   UNL     1       1.262   1.275  -3.913  1.00  0.00           C  
HETATM    6  C   UNL     1       1.246  -1.094  -3.118  1.00  0.00           C  
HETATM    7  C   UNL     1       2.687   0.183   0.730  1.00  0.00           C  
HETATM    8  C   UNL     1       4.987   0.189   1.535  1.00  0.00           C  
HETATM    9  C   UNL     1       6.203  -0.714   1.318  1.00  0.00           C  
HETATM   10  C   UNL     1       5.795  -2.175   1.515  1.00  0.00           C  
HETATM   11  C   UNL     1       4.831  -2.607   0.432  1.00  0.00           C  
HETATM   12  C   UNL     1       6.896  -3.491  -0.161  1.00  0.00           C  
HETATM   13  C   UNL     1       7.015  -3.107   1.331  1.00  0.00           C  
HETATM   14  C   UNL     1       5.420   1.655   1.461  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.125  -0.651  -0.505  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.417  -0.147   0.141  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.387  -0.444   1.641  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.542   1.362  -0.078  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.215  -0.200   0.152  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.012   0.729   1.166  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.094   1.348   1.760  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.379   1.044   1.349  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.586   0.119   0.340  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.508  -0.504  -0.259  1.00  0.00           C  
HETATM   25  N   UNL     1       0.331   0.275   0.158  1.00  0.00           N  
HETATM   26  N   UNL     1       3.988  -0.079   0.497  1.00  0.00           N  
HETATM   27  N   UNL     1       5.472  -3.346  -0.489  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.654  -1.145  -1.237  1.00  0.00           O  
HETATM   29  O   UNL     1       3.652  -2.327   0.400  1.00  0.00           O  
HETATM   30  O   UNL     1       4.310   2.496   1.778  1.00  0.00           O  
HETATM   31  O   UNL     1       2.343   0.641   1.800  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.988   0.021   0.099  1.00  0.00           O  
HETATM   33  S   UNL     1      -5.837  -0.987  -0.614  1.00  0.00           S  
HETATM   34 CL   UNL     1     -11.201  -0.259  -0.172  1.00  0.00          Cl  
HETATM   35  S   UNL     1       6.002   2.029  -0.216  1.00  0.00           S  
HETATM   36  H   UNL     1       1.674  -1.152  -0.590  1.00  0.00           H  
HETATM   37  H   UNL     1       1.885   1.795  -1.353  1.00  0.00           H  
HETATM   38  H   UNL     1       3.008   0.527  -1.900  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.008   0.486  -2.361  1.00  0.00           H  
HETATM   40  H   UNL     1       2.287   1.151  -4.260  1.00  0.00           H  
HETATM   41  H   UNL     1       0.572   1.010  -4.714  1.00  0.00           H  
HETATM   42  H   UNL     1       1.072  -1.743  -2.260  1.00  0.00           H  
HETATM   43  H   UNL     1       0.557  -1.358  -3.919  1.00  0.00           H  
HETATM   44  H   UNL     1       2.272  -1.217  -3.465  1.00  0.00           H  
HETATM   45  H   UNL     1       4.555  -0.013   2.515  1.00  0.00           H  
HETATM   46  H   UNL     1       6.581  -0.576   0.305  1.00  0.00           H  
HETATM   47  H   UNL     1       6.982  -0.454   2.035  1.00  0.00           H  
HETATM   48  H   UNL     1       5.350  -2.316   2.500  1.00  0.00           H  
HETATM   49  H   UNL     1       7.495  -2.817  -0.773  1.00  0.00           H  
HETATM   50  H   UNL     1       7.214  -4.523  -0.311  1.00  0.00           H  
HETATM   51  H   UNL     1       7.946  -2.573   1.523  1.00  0.00           H  
HETATM   52  H   UNL     1       6.933  -3.987   1.968  1.00  0.00           H  
HETATM   53  H   UNL     1       6.226   1.832   2.173  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.036  -1.727  -0.349  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.146  -0.440  -1.574  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.752   0.285   2.143  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.398  -0.383   2.044  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.990  -1.446   1.806  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.353   1.594  -1.127  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.547   1.686   0.190  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.813   1.881   0.545  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.009   0.966   1.488  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.937   2.070   2.548  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.223   1.530   1.816  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.669  -1.222  -1.049  1.00  0.00           H  
HETATM   66  H   UNL     1       0.240   0.939   0.858  1.00  0.00           H  
HETATM   67  H   UNL     1       4.264  -0.444  -0.358  1.00  0.00           H  
HETATM   68  H   UNL     1       5.049  -3.734  -1.271  1.00  0.00           H  
HETATM   69  H   UNL     1       3.554   2.391   1.184  1.00  0.00           H  
HETATM   70  O   UNL     1       7.219   1.346  -0.486  1.00  0.00           O  
HETATM   71  O   UNL     1       4.921   1.992  -1.139  1.00  0.00           O  
HETATM   72  O   UNL     1       6.399   3.497  -0.162  1.00  0.00           O  
HETATM   73  H   UNL     1       1.099   2.312  -3.621  1.00  0.00           H  
HETATM   74  H   UNL     1       6.734   3.845  -0.999  1.00  0.00           H  
CONECT    1   32   25   28   28                                       
CONECT    2   25    7    3   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    6    5   39                                       
CONECT    5    4   40   41   73                                       
CONECT    6    4   42   43   44                                       
CONECT    7   31   31    2   26                                       
CONECT    8   26    9   14   45                                       
CONECT    9   10    8   46   47                                       
CONECT   10   13   11    9   48                                       
CONECT   11   27   10   29   29                                       
CONECT   12   13   27   49   50                                       
CONECT   13   12   10   51   52                                       
CONECT   14    8   30   35   53                                       
CONECT   15   16   32   54   55                                       
CONECT   16   18   33   15   17                                       
CONECT   17   16   56   57   58                                       
CONECT   18   16   59   60   61                                       
CONECT   19   20   20   24   33                                       
CONECT   20   21   19   19   62                                       
CONECT   21   22   22   20   63                                       
CONECT   22   21   21   23   64                                       
CONECT   23   22   34   24   24                                       
CONECT   24   23   23   19   65                                       
CONECT   25    1    2   66                                            
CONECT   26    7    8   67                                            
CONECT   27   12   11   68                                            
CONECT   28    1    1                                                 
CONECT   29   11   11                                                 
CONECT   30   14   69                                                 
CONECT   31    7    7                                                 
CONECT   32   15    1                                                 
CONECT   33   19   16                                                 
CONECT   34   23                                                      
CONECT   35   14   70   70   71                                       
CONECT   35   71   72                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   35   35                                                 
CONECT   71   35   35                                                 
CONECT   72   35   74                                                 
CONECT   73    5                                                      
CONECT   74   72                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
