COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -1.697  -0.463   1.378  1.00  0.00           N  
HETATM    2  C   UNK A   0       6.157  -0.196  -1.746  1.00  0.00           C  
HETATM    3  C   UNK A   0       7.020   0.653  -1.056  1.00  0.00           C  
HETATM    4  C   UNK A   0       6.866   2.124  -1.171  1.00  0.00           C  
HETATM    5  C   UNK A   0       6.634   2.894  -0.033  1.00  0.00           C  
HETATM    6  C   UNK A   0       6.538   2.233   1.319  1.00  0.00           C  
HETATM    7  C   UNK A   0       2.861   1.694   1.843  1.00  0.00           C  
HETATM    8  C   UNK A   0       0.438   0.391   2.216  1.00  0.00           C  
HETATM    9  C   UNK A   0      -2.808  -1.213   1.523  1.00  0.00           C  
HETATM   10  C   UNK A   1      -5.921  -1.728  -0.361  1.00  0.00           C  
HETATM   11  C   UNK A   1      -8.999   2.089  -2.405  1.00  0.00           C  
HETATM   12  C   UNK A   1      -9.469   3.542  -2.310  1.00  0.00           C  
HETATM   13  C   UNK A   1     -10.192   3.758  -0.979  1.00  0.00           C  
HETATM   14  C   UNK A   1      -8.765   2.002   0.080  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.416   0.188   0.096  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.389  -1.504  -1.747  1.00  0.00           C  
HETATM   17  O   UNK A   0      -1.143  -0.741   3.510  1.00  0.00           O  
HETATM   18  C   UNK A   0      -0.849  -0.308   2.414  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.688  -0.774  -0.807  1.00  0.00           C  
HETATM   20  C   UNK A   0       0.682  -0.925  -0.694  1.00  0.00           C  
HETATM   21  C   UNK A   0       1.350  -1.807  -1.523  1.00  0.00           C  
HETATM   22  C   UNK A   0       0.649  -2.538  -2.464  1.00  0.00           C  
HETATM   23  C   UNK A   0       1.377  -3.499  -3.367  1.00  0.00           C  
HETATM   24  C   UNK A   0      -0.722  -2.391  -2.572  1.00  0.00           C  
HETATM   25  O   UNK A   0      -3.044  -1.749   2.588  1.00  0.00           O  
HETATM   26  N   UNK A   1      -3.656  -1.368   0.488  1.00  0.00           N  
HETATM   27  C   UNK A   1      -4.863  -2.184   0.645  1.00  0.00           C  
HETATM   28  C   UNK A   1      -4.527  -3.632   0.400  1.00  0.00           C  
HETATM   29  O   UNK A   1      -5.484  -4.568   0.490  1.00  0.00           O  
HETATM   30  O   UNK A   1      -3.395  -3.950   0.122  1.00  0.00           O  
HETATM   31  S   UNK A   1      -6.326   0.015  -0.066  1.00  0.00           S  
HETATM   32  O   UNK A   1      -6.947   0.126   1.207  1.00  0.00           O  
HETATM   33  O   UNK A   1      -5.177   0.801  -0.348  1.00  0.00           O  
HETATM   34  C   UNK A   1      -7.572   0.333  -1.346  1.00  0.00           C  
HETATM   35  C   UNK A   1      -8.042   1.786  -1.250  1.00  0.00           C  
HETATM   36  C   UNK A   1      -9.235   3.454   0.176  1.00  0.00           C  
HETATM   37  C   UNK A   0       0.459   1.746   1.883  1.00  0.00           C  
HETATM   38  C   UNK A   0       1.665   2.385   1.699  1.00  0.00           C  
HETATM   39  C   UNK A   0       1.641  -0.301   2.355  1.00  0.00           C  
HETATM   40  C   UNK A   0       2.846   0.352   2.170  1.00  0.00           C  
HETATM   41  C   UNK A   0       4.150   2.447   1.641  1.00  0.00           C  
HETATM   42  C   UNK A   0       4.121  -0.437   2.329  1.00  0.00           C  
HETATM   43  C   UNK A   0       5.305   0.514   2.501  1.00  0.00           C  
HETATM   44  N   UNK A   0       5.261   1.515   1.423  1.00  0.00           N  
HETATM   45  C   UNK A   0       6.492   4.262  -0.145  1.00  0.00           C  
HETATM   46  C   UNK A   0       6.580   4.870  -1.384  1.00  0.00           C  
HETATM   47  C   UNK A   0       6.811   4.110  -2.518  1.00  0.00           C  
HETATM   48  C   UNK A   0       6.959   2.742  -2.416  1.00  0.00           C  
HETATM   49  C   UNK A   0       8.028   0.116  -0.257  1.00  0.00           C  
HETATM   50  C   UNK A   0       8.167  -1.253  -0.154  1.00  0.00           C  
HETATM   51  C   UNK A   0       6.301  -1.564  -1.632  1.00  0.00           C  
HETATM   52  C   UNK A   0       7.307  -2.093  -0.841  1.00  0.00           C  
HETATM   53 CL   UNK A   0       7.488  -3.814  -0.708  1.00  0.00          Cl  
HETATM   54  H   UNK A   0       5.374   0.215  -2.365  1.00  0.00           H  
HETATM   55  H   UNK A   0       7.362   1.529   1.438  1.00  0.00           H  
HETATM   56  H   UNK A   0       6.593   2.993   2.099  1.00  0.00           H  
HETATM   57  H   UNK A   1      -5.534  -1.844  -1.374  1.00  0.00           H  
HETATM   58  H   UNK A   1      -6.819  -2.335  -0.244  1.00  0.00           H  
HETATM   59  H   UNK A   1      -9.860   1.424  -2.348  1.00  0.00           H  
HETATM   60  H   UNK A   1      -8.483   1.935  -3.354  1.00  0.00           H  
HETATM   61  H   UNK A   1      -8.607   4.207  -2.368  1.00  0.00           H  
HETATM   62  H   UNK A   1     -10.150   3.758  -3.133  1.00  0.00           H  
HETATM   63  H   UNK A   1     -10.527   4.793  -0.911  1.00  0.00           H  
HETATM   64  H   UNK A   1     -11.053   3.093  -0.922  1.00  0.00           H  
HETATM   65  H   UNK A   1      -9.627   1.337   0.138  1.00  0.00           H  
HETATM   66  H   UNK A   1      -8.084   1.786   0.903  1.00  0.00           H  
HETATM   67  H   UNK A   0      -2.353   0.488  -0.373  1.00  0.00           H  
HETATM   68  H   UNK A   0      -0.796   1.069   0.265  1.00  0.00           H  
HETATM   69  H   UNK A   0      -2.459  -1.386  -1.835  1.00  0.00           H  
HETATM   70  H   UNK A   0       1.230  -0.354   0.041  1.00  0.00           H  
HETATM   71  H   UNK A   0       2.420  -1.926  -1.435  1.00  0.00           H  
HETATM   72  H   UNK A   0       1.413  -4.482  -2.898  1.00  0.00           H  
HETATM   73  H   UNK A   0       0.853  -3.571  -4.320  1.00  0.00           H  
HETATM   74  H   UNK A   0       2.392  -3.140  -3.537  1.00  0.00           H  
HETATM   75  H   UNK A   0      -1.270  -2.962  -3.307  1.00  0.00           H  
HETATM   76  H   UNK A   1      -3.468  -0.940  -0.362  1.00  0.00           H  
HETATM   77  H   UNK A   1      -5.251  -2.067   1.657  1.00  0.00           H  
HETATM   78  H   UNK A   1      -5.221  -5.483   0.324  1.00  0.00           H  
HETATM   79  H   UNK A   1      -7.136   0.156  -2.329  1.00  0.00           H  
HETATM   80  H   UNK A   1      -8.422  -0.334  -1.199  1.00  0.00           H  
HETATM   81  H   UNK A   1      -7.181   2.451  -1.308  1.00  0.00           H  
HETATM   82  H   UNK A   1      -8.374   4.120   0.118  1.00  0.00           H  
HETATM   83  H   UNK A   1      -9.750   3.608   1.124  1.00  0.00           H  
HETATM   84  H   UNK A   0      -0.466   2.292   1.772  1.00  0.00           H  
HETATM   85  H   UNK A   0       1.681   3.434   1.441  1.00  0.00           H  
HETATM   86  H   UNK A   0       1.632  -1.350   2.612  1.00  0.00           H  
HETATM   87  H   UNK A   0       4.053   3.100   0.774  1.00  0.00           H  
HETATM   88  H   UNK A   0       4.356   3.051   2.525  1.00  0.00           H  
HETATM   89  H   UNK A   0       4.042  -1.079   3.206  1.00  0.00           H  
HETATM   90  H   UNK A   0       4.277  -1.054   1.444  1.00  0.00           H  
HETATM   91  H   UNK A   0       5.237   1.013   3.467  1.00  0.00           H  
HETATM   92  H   UNK A   0       6.238  -0.048   2.441  1.00  0.00           H  
HETATM   93  H   UNK A   0       6.311   4.859   0.736  1.00  0.00           H  
HETATM   94  H   UNK A   0       6.468   5.940  -1.468  1.00  0.00           H  
HETATM   95  H   UNK A   0       6.878   4.590  -3.483  1.00  0.00           H  
HETATM   96  H   UNK A   0       7.144   2.151  -3.301  1.00  0.00           H  
HETATM   97  H   UNK A   0       8.700   0.770   0.279  1.00  0.00           H  
HETATM   98  H   UNK A   0       8.948  -1.671   0.465  1.00  0.00           H  
HETATM   99  H   UNK A   0       5.630  -2.223  -2.163  1.00  0.00           H  
CONECT    1    9   18   15                                            
CONECT    2    3    3   51   54                                       
CONECT    3   49    4    2    2                                       
CONECT    4    3    5    5   48                                       
CONECT    5    6    4    4   45                                       
CONECT    6   44    5   55   56                                       
CONECT    7   38   38   40   41                                       
CONECT    8   18   37   37   39                                       
CONECT    9   26   25   25    1                                       
CONECT   10   31   27   57   58                                       
CONECT   11   12   35   59   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   36   63   64                                       
CONECT   14   35   36   65   66                                       
CONECT   15   19    1   67   68                                       
CONECT   16   24   24   19   69                                       
CONECT   17   18   18                                                 
CONECT   18   17   17    1    8                                       
CONECT   19   20   20   16   15                                       
CONECT   20   21   19   19   70                                       
CONECT   21   22   22   20   71                                       
CONECT   22   23   21   21   24                                       
CONECT   23   22   72   73   74                                       
CONECT   24   22   16   16   75                                       
CONECT   25    9    9                                                 
CONECT   26   27    9   76                                            
CONECT   27   10   28   26   77                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28   78                                                 
CONECT   30   28   28                                                 
CONECT   31   33   33   34   10                                       
CONECT   31   32   32                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   35   31   79   80                                       
CONECT   35   11   34   14   81                                       
CONECT   36   13   14   82   83                                       
CONECT   37    8    8   38   84                                       
CONECT   38   37    7    7   85                                       
CONECT   39    8   40   40   86                                       
CONECT   40   39   39    7   42                                       
CONECT   41    7   44   87   88                                       
CONECT   42   40   43   89   90                                       
CONECT   43   42   44   91   92                                       
CONECT   44   41   43    6                                            
CONECT   45    5   46   46   93                                       
CONECT   46   45   45   47   94                                       
CONECT   47   48   48   46   95                                       
CONECT   48    4   47   47   96                                       
CONECT   49   50   50    3   97                                       
CONECT   50   49   49   52   98                                       
CONECT   51   52   52    2   99                                       
CONECT   52   50   53   51   51                                       
CONECT   53   52                                                      
CONECT   54    2                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
