COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.380   2.072   1.416  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.784   4.161   0.531  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.012  -1.005  -0.244  1.00  0.00           C  
HETATM    4  C   UNL     1       6.265  -0.415   1.776  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.046   1.222   2.615  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.885  -0.068  -0.506  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.422   0.003   0.017  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.451  -0.834   0.155  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.795  -0.862  -0.791  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.424  -0.914  -0.582  1.00  0.00           C  
HETATM   11  C   UNL     1      12.327   0.401   0.187  1.00  0.00           C  
HETATM   12  C   UNL     1      13.462  -0.208   0.725  1.00  0.00           C  
HETATM   13  C   UNL     1      12.078  -1.741   1.755  1.00  0.00           C  
HETATM   14  C   UNL     1      11.075  -0.116   0.468  1.00  0.00           C  
HETATM   15  C   UNL     1      12.845   1.558  -0.630  1.00  0.00           C  
HETATM   16  C   UNL     1      14.348   1.463  -0.445  1.00  0.00           C  
HETATM   17  C   UNL     1      10.007   0.538  -1.524  1.00  0.00           C  
HETATM   18  N   UNL     1      -9.499   3.377   1.553  1.00  0.00           N  
HETATM   19  C   UNL     1      -9.972   3.641  -0.737  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.859   2.276  -0.933  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.555   1.470   0.170  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.152  -0.648  -0.298  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.286  -2.034  -0.389  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.170  -2.824  -0.684  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.939  -2.245  -0.879  1.00  0.00           C  
HETATM   26  S   UNL     1      -9.956  -2.497  -0.088  1.00  0.00           S  
HETATM   27 CL   UNL     1     -12.073  -0.338   0.528  1.00  0.00          Cl  
HETATM   28  N   UNL     1      -4.538  -0.277  -0.992  1.00  0.00           N  
HETATM   29  O   UNL     1      -3.502  -2.034  -0.113  1.00  0.00           O  
HETATM   30  N   UNL     1      13.285  -1.280   1.505  1.00  0.00           N  
HETATM   31  N   UNL     1      10.990  -1.188   1.257  1.00  0.00           N  
HETATM   32  N   UNL     1      14.583   0.455   0.319  1.00  0.00           N  
HETATM   33  N   UNL     1       9.934   0.468  -0.059  1.00  0.00           N  
HETATM   34  C   UNL     1       8.802   1.315  -2.060  1.00  0.00           C  
HETATM   35  C   UNL     1       7.513   0.611  -1.627  1.00  0.00           C  
HETATM   36  C   UNL     1       7.485   0.509  -0.100  1.00  0.00           C  
HETATM   37  C   UNL     1       8.728  -0.245   0.379  1.00  0.00           C  
HETATM   38  N   UNL     1       6.278  -0.216   0.321  1.00  0.00           N  
HETATM   39  C   UNL     1       5.064   0.480  -0.126  1.00  0.00           C  
HETATM   40  C   UNL     1       3.847  -0.418   0.107  1.00  0.00           C  
HETATM   41  C   UNL     1       2.583   0.306  -0.359  1.00  0.00           C  
HETATM   42  N   UNL     1       1.417  -0.554  -0.136  1.00  0.00           N  
HETATM   43  C   UNL     1       0.186  -0.121  -0.474  1.00  0.00           C  
HETATM   44  O   UNL     1       0.043   0.980  -0.962  1.00  0.00           O  
HETATM   45  N   UNL     1      -2.223  -0.312  -0.691  1.00  0.00           N  
HETATM   46  H   UNL     1      -9.872   5.226   0.687  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.895  -1.930  -0.809  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.096  -1.235   0.818  1.00  0.00           H  
HETATM   49  H   UNL     1       6.283   0.553   2.276  1.00  0.00           H  
HETATM   50  H   UNL     1       5.361  -0.954   2.061  1.00  0.00           H  
HETATM   51  H   UNL     1       7.140  -0.993   2.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.964   1.133   2.707  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.451   1.688   3.514  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.483   0.231   2.491  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.766   1.003  -0.439  1.00  0.00           H  
HETATM   56  H   UNL     1      11.976  -2.609   2.390  1.00  0.00           H  
HETATM   57  H   UNL     1      12.578   1.438  -1.680  1.00  0.00           H  
HETATM   58  H   UNL     1      12.466   2.503  -0.243  1.00  0.00           H  
HETATM   59  H   UNL     1      15.086   2.122  -0.877  1.00  0.00           H  
HETATM   60  H   UNL     1      10.926   1.044  -1.818  1.00  0.00           H  
HETATM   61  H   UNL     1      10.000  -0.471  -1.936  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.205   4.293  -1.565  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.000   1.843  -1.912  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.276  -3.896  -0.753  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.083  -2.863  -1.107  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.469   0.588  -1.427  1.00  0.00           H  
HETATM   67  H   UNL     1       8.816   2.329  -1.659  1.00  0.00           H  
HETATM   68  H   UNL     1       8.849   1.353  -3.148  1.00  0.00           H  
HETATM   69  H   UNL     1       6.652   1.185  -1.969  1.00  0.00           H  
HETATM   70  H   UNL     1       7.481  -0.388  -2.061  1.00  0.00           H  
HETATM   71  H   UNL     1       7.478   1.510   0.333  1.00  0.00           H  
HETATM   72  H   UNL     1       8.727  -1.251  -0.042  1.00  0.00           H  
HETATM   73  H   UNL     1       8.718  -0.308   1.467  1.00  0.00           H  
HETATM   74  H   UNL     1       4.946   1.405   0.438  1.00  0.00           H  
HETATM   75  H   UNL     1       5.148   0.710  -1.188  1.00  0.00           H  
HETATM   76  H   UNL     1       3.965  -1.343  -0.458  1.00  0.00           H  
HETATM   77  H   UNL     1       3.763  -0.649   1.169  1.00  0.00           H  
HETATM   78  H   UNL     1       2.465   1.231   0.205  1.00  0.00           H  
HETATM   79  H   UNL     1       2.666   0.536  -1.421  1.00  0.00           H  
HETATM   80  H   UNL     1       1.532  -1.434   0.254  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.161   0.581  -1.064  1.00  0.00           H  
CONECT    1    5   21   21   18                                       
CONECT    2   18   18   19   46                                       
CONECT    3   45   43   47   48                                       
CONECT    4   38   49   50   51                                       
CONECT    5    1   52   53   54                                       
CONECT    6   22   22    9   55                                       
CONECT    7    8    8   22   21                                       
CONECT    8   26   27    7    7                                       
CONECT    9   25   25    6   28                                       
CONECT   10   28   29   29   45                                       
CONECT   11   12   12   14   15                                       
CONECT   12   30   32   11   11                                       
CONECT   13   30   30   31   56                                       
CONECT   14   31   31   11   33                                       
CONECT   15   11   16   57   58                                       
CONECT   16   32   32   15   59                                       
CONECT   17   33   34   60   61                                       
CONECT   18    1    2    2                                            
CONECT   19   20   20    2   62                                       
CONECT   20   21   19   19   63                                       
CONECT   21    7    1    1   20                                       
CONECT   22   23    7    6    6                                       
CONECT   23   26   24   24   22                                       
CONECT   24   23   23   25   64                                       
CONECT   25   24    9    9   65                                       
CONECT   26    8   23                                                 
CONECT   27    8                                                      
CONECT   28    9   10   66                                            
CONECT   29   10   10                                                 
CONECT   30   13   13   12                                            
CONECT   31   13   14   14                                            
CONECT   32   12   16   16                                            
CONECT   33   37   14   17                                            
CONECT   34   17   35   67   68                                       
CONECT   35   36   34   69   70                                       
CONECT   36   37   38   35   71                                       
CONECT   37   33   36   72   73                                       
CONECT   38   39   36    4                                            
CONECT   39   40   38   74   75                                       
CONECT   40   41   39   76   77                                       
CONECT   41   42   40   78   79                                       
CONECT   42   43   41   80                                            
CONECT   43    3   42   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   10    3   81                                            
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
