COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      30.559  12.042  15.165  1.00  0.00           C  
HETATM    2  C   UNL     1      29.746  11.895  16.232  1.00  0.00           C  
HETATM    3  C   UNL     1      31.808  10.021  15.653  1.00  0.00           C  
HETATM    4  C   UNL     1      31.013  13.201  13.097  1.00  0.00           C  
HETATM    5  C   UNL     1      30.645  14.153  12.214  1.00  0.00           C  
HETATM    6  C   UNL     1      29.510  14.894  12.400  1.00  0.00           C  
HETATM    7 CL   UNL     1      29.130  16.040  11.224  1.00  0.00          Cl  
HETATM    8  C   UNL     1      28.727  14.670  13.504  1.00  0.00           C  
HETATM    9  C   UNL     1      29.106  13.708  14.435  1.00  0.00           C  
HETATM   10  C   UNL     1      30.234  13.000  14.225  1.00  0.00           C  
HETATM   11  C   UNL     1      28.330  13.477  15.554  1.00  0.00           C  
HETATM   12  N   UNL     1      28.681  12.572  16.417  1.00  0.00           N  
HETATM   13  O   UNL     1      31.714  11.261  15.018  1.00  0.00           O  
HETATM   14  O   UNL     1      27.181  14.229  15.742  1.00  0.00           O  
HETATM   15  C   UNL     1      26.357  13.916  16.805  1.00  0.00           C  
HETATM   16  C   UNL     1      25.368  14.980  17.021  1.00  0.00           C  
HETATM   17  C   UNL     1      25.379  12.800  16.504  1.00  0.00           C  
HETATM   18  C   UNL     1      24.452  13.376  15.615  1.00  0.00           C  
HETATM   19  C   UNL     1      22.972  12.912  15.632  1.00  0.00           C  
HETATM   20  O   UNL     1      22.305  12.927  16.584  1.00  0.00           O  
HETATM   21  N   UNL     1      22.410  12.444  14.431  1.00  0.00           N  
HETATM   22  N   UNL     1      24.491  14.744  16.081  1.00  0.00           N  
HETATM   23  C   UNL     1      23.589  15.730  15.587  1.00  0.00           C  
HETATM   24  O   UNL     1      22.855  15.470  14.762  1.00  0.00           O  
HETATM   25  C   UNL     1      23.586  17.128  16.122  1.00  0.00           C  
HETATM   26  N   UNL     1      23.861  18.056  15.113  1.00  0.00           N  
HETATM   27  C   UNL     1      25.122  18.623  14.962  1.00  0.00           C  
HETATM   28  O   UNL     1      26.019  18.051  15.405  1.00  0.00           O  
HETATM   29  O   UNL     1      25.247  19.159  13.740  1.00  0.00           O  
HETATM   30  C   UNL     1      26.355  19.909  13.328  1.00  0.00           C  
HETATM   31  C   UNL     1      27.435  19.090  12.650  1.00  0.00           C  
HETATM   32  C   UNL     1      25.752  20.775  12.248  1.00  0.00           C  
HETATM   33  C   UNL     1      26.955  20.753  14.428  1.00  0.00           C  
HETATM   34  C   UNL     1      22.491  17.583  17.081  1.00  0.00           C  
HETATM   35  C   UNL     1      21.097  17.055  16.899  1.00  0.00           C  
HETATM   36  C   UNL     1      20.504  16.195  17.963  1.00  0.00           C  
HETATM   37  C   UNL     1      19.335  15.377  17.470  1.00  0.00           C  
HETATM   38  C   UNL     1      19.044  15.310  15.979  1.00  0.00           C  
HETATM   39  C   UNL     1      18.491  13.981  15.528  1.00  0.00           C  
HETATM   40  C   UNL     1      18.993  13.270  14.506  1.00  0.00           C  
HETATM   41  C   UNL     1      20.305  13.621  13.879  1.00  0.00           C  
HETATM   42  C   UNL     1      20.768  12.647  12.712  1.00  0.00           C  
HETATM   43  C   UNL     1      21.049  12.212  14.197  1.00  0.00           C  
HETATM   44  C   UNL     1      20.513  10.721  14.929  1.00  0.00           C  
HETATM   45  O   UNL     1      19.421  10.522  14.719  1.00  0.00           O  
HETATM   46  N   UNL     1      21.241   9.806  15.628  1.00  0.00           N  
HETATM   47  S   UNL     1      20.640   8.524  16.223  1.00  0.00           S  
HETATM   48  O   UNL     1      20.156   7.679  15.358  1.00  0.00           O  
HETATM   49  O   UNL     1      19.548   8.953  16.727  1.00  0.00           O  
HETATM   50  C   UNL     1      21.733   7.846  17.443  1.00  0.00           C  
HETATM   51  C   UNL     1      22.677   6.918  16.722  1.00  0.00           C  
HETATM   52  C   UNL     1      21.618   6.361  17.575  1.00  0.00           C  
HETATM   53  H   UNL     1      30.014  11.159  16.975  1.00  0.00           H  
HETATM   54  H   UNL     1      32.780   9.562  15.420  1.00  0.00           H  
HETATM   55  H   UNL     1      31.719  10.158  16.741  1.00  0.00           H  
HETATM   56  H   UNL     1      30.999   9.365  15.299  1.00  0.00           H  
HETATM   57  H   UNL     1      31.899  12.607  12.927  1.00  0.00           H  
HETATM   58  H   UNL     1      31.258  14.333  11.344  1.00  0.00           H  
HETATM   59  H   UNL     1      27.820  15.238  13.650  1.00  0.00           H  
HETATM   60  H   UNL     1      26.918  13.700  17.726  1.00  0.00           H  
HETATM   61  H   UNL     1      24.912  14.903  18.019  1.00  0.00           H  
HETATM   62  H   UNL     1      25.822  15.975  16.901  1.00  0.00           H  
HETATM   63  H   UNL     1      25.893  11.949  16.033  1.00  0.00           H  
HETATM   64  H   UNL     1      24.878  12.463  17.424  1.00  0.00           H  
HETATM   65  H   UNL     1      24.824  13.321  14.581  1.00  0.00           H  
HETATM   66  H   UNL     1      23.039  12.260  13.676  1.00  0.00           H  
HETATM   67  H   UNL     1      24.486  17.152  16.754  1.00  0.00           H  
HETATM   68  H   UNL     1      23.131  18.319  14.483  1.00  0.00           H  
HETATM   69  H   UNL     1      28.266  19.749  12.358  1.00  0.00           H  
HETATM   70  H   UNL     1      27.803  18.321  13.345  1.00  0.00           H  
HETATM   71  H   UNL     1      27.019  18.605  11.754  1.00  0.00           H  
HETATM   72  H   UNL     1      26.528  21.430  11.826  1.00  0.00           H  
HETATM   73  H   UNL     1      25.340  20.136  11.453  1.00  0.00           H  
HETATM   74  H   UNL     1      24.947  21.390  12.678  1.00  0.00           H  
HETATM   75  H   UNL     1      27.817  21.312  14.034  1.00  0.00           H  
HETATM   76  H   UNL     1      26.199  21.460  14.801  1.00  0.00           H  
HETATM   77  H   UNL     1      27.286  20.102  15.251  1.00  0.00           H  
HETATM   78  H   UNL     1      22.813  17.301  18.094  1.00  0.00           H  
HETATM   79  H   UNL     1      22.433  18.679  17.007  1.00  0.00           H  
HETATM   80  H   UNL     1      20.435  17.926  16.783  1.00  0.00           H  
HETATM   81  H   UNL     1      21.094  16.466  15.970  1.00  0.00           H  
HETATM   82  H   UNL     1      21.280  15.510  18.335  1.00  0.00           H  
HETATM   83  H   UNL     1      20.160  16.840  18.785  1.00  0.00           H  
HETATM   84  H   UNL     1      19.501  14.344  17.810  1.00  0.00           H  
HETATM   85  H   UNL     1      18.434  15.782  17.954  1.00  0.00           H  
HETATM   86  H   UNL     1      18.311  16.093  15.733  1.00  0.00           H  
HETATM   87  H   UNL     1      19.980  15.500  15.434  1.00  0.00           H  
HETATM   88  H   UNL     1      17.641  13.578  16.059  1.00  0.00           H  
HETATM   89  H   UNL     1      18.437  12.425  14.128  1.00  0.00           H  
HETATM   90  H   UNL     1      20.823  14.574  14.060  1.00  0.00           H  
HETATM   91  H   UNL     1      20.013  12.109  12.120  1.00  0.00           H  
HETATM   92  H   UNL     1      21.606  12.936  12.061  1.00  0.00           H  
HETATM   93  H   UNL     1      22.217   9.978  15.760  1.00  0.00           H  
HETATM   94  H   UNL     1      22.050   8.504  18.266  1.00  0.00           H  
HETATM   95  H   UNL     1      22.615   6.812  15.629  1.00  0.00           H  
HETATM   96  H   UNL     1      23.729   6.851  17.038  1.00  0.00           H  
HETATM   97  H   UNL     1      21.881   5.874  18.526  1.00  0.00           H  
HETATM   98  H   UNL     1      20.767   5.835  17.117  1.00  0.00           H  
CONECT    1    2    2   10   13                                       
CONECT    2    1    1   12   53                                       
CONECT    3   13   54   55   56                                       
CONECT    4    5    5   10   57                                       
CONECT    5    4    4    6   58                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   59                                       
CONECT    9    8   10   10   11                                       
CONECT   10    1    4    9    9                                       
CONECT   11    9   12   12   14                                       
CONECT   12    2   11   11                                            
CONECT   13    1    3                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17   60                                       
CONECT   16   15   22   61   62                                       
CONECT   17   15   18   63   64                                       
CONECT   18   17   19   22   65                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   43   66                                            
CONECT   22   16   18   23                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   34   67                                       
CONECT   26   25   27   68                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30   69   70   71                                       
CONECT   32   30   72   73   74                                       
CONECT   33   30   75   76   77                                       
CONECT   34   25   35   78   79                                       
CONECT   35   34   36   80   81                                       
CONECT   36   35   37   82   83                                       
CONECT   37   36   38   84   85                                       
CONECT   38   37   39   86   87                                       
CONECT   39   38   40   40   88                                       
CONECT   40   39   39   41   89                                       
CONECT   41   40   42   43   90                                       
CONECT   42   41   43   91   92                                       
CONECT   43   21   41   42   44                                       
CONECT   44   45   45   46   43                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   93                                            
CONECT   47   46   48   48   49                                       
CONECT   47   49   50                                                 
CONECT   48   47   47                                                 
CONECT   49   47   47                                                 
CONECT   50   47   51   52   94                                       
CONECT   51   50   52   95   96                                       
CONECT   52   50   51   97   98                                       
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    8                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   21                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   46                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
CONECT   96   51                                                      
CONECT   97   52                                                      
CONECT   98   52                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
