COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.829  -3.634  -0.095  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.541  -3.280  -0.871  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.867  -5.383  -2.109  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.557  -6.507  -3.991  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.783  -7.413  -2.826  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.873  -6.355  -1.906  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.696  -4.905  -0.303  1.00  0.00           C  
HETATM    8  O   UNL     1     -10.307   0.102   1.467  1.00  0.00           O  
HETATM    9  O   UNL     1     -16.026  -3.050   2.065  1.00  0.00           O  
HETATM   10  O   UNL     1     -13.930  -3.782  -0.994  1.00  0.00           O  
HETATM   11  C   UNL     1      10.445   1.743  -2.325  1.00  0.00           C  
HETATM   12  C   UNL     1      11.831   1.354  -2.772  1.00  0.00           C  
HETATM   13  C   UNL     1      12.665   0.950  -1.554  1.00  0.00           C  
HETATM   14  O   UNL     1      10.154   1.701  -1.153  1.00  0.00           O  
HETATM   15  C   UNL     1      14.071   0.555  -2.008  1.00  0.00           C  
HETATM   16  C   UNL     1      14.905   0.151  -0.790  1.00  0.00           C  
HETATM   17  C   UNL     1      16.312  -0.244  -1.244  1.00  0.00           C  
HETATM   18  C   UNL     1      17.146  -0.648  -0.026  1.00  0.00           C  
HETATM   19  C   UNL     1      18.553  -1.043  -0.480  1.00  0.00           C  
HETATM   20  C   UNL     1      19.387  -1.447   0.738  1.00  0.00           C  
HETATM   21  C   UNL     1      20.794  -1.842   0.284  1.00  0.00           C  
HETATM   22  C   UNL     1      21.627  -2.246   1.502  1.00  0.00           C  
HETATM   23  C   UNL     1      23.034  -2.640   1.048  1.00  0.00           C  
HETATM   24  C   UNL     1      23.868  -3.045   2.265  1.00  0.00           C  
HETATM   25  C   UNL     1      25.275  -3.439   1.812  1.00  0.00           C  
HETATM   26  C   UNL     1      26.109  -3.843   3.029  1.00  0.00           C  
HETATM   27  C   UNL     1      27.516  -4.238   2.576  1.00  0.00           C  
HETATM   28  C   UNL     1      28.349  -4.642   3.793  1.00  0.00           C  
HETATM   29  C   UNL     1      29.756  -5.037   3.339  1.00  0.00           C  
HETATM   30  C   UNL     1       9.422   2.184  -3.340  1.00  0.00           C  
HETATM   31  C   UNL     1       8.129   2.514  -2.639  1.00  0.00           C  
HETATM   32  O   UNL     1       8.047   2.402  -1.434  1.00  0.00           O  
HETATM   33  S   UNL     1       6.777   3.047  -3.544  1.00  0.00           S  
HETATM   34  C   UNL     1       5.576   3.276  -2.209  1.00  0.00           C  
HETATM   35  C   UNL     1       4.250   3.764  -2.795  1.00  0.00           C  
HETATM   36  N   UNL     1       3.278   3.949  -1.715  1.00  0.00           N  
HETATM   37  C   UNL     1       2.031   4.377  -1.996  1.00  0.00           C  
HETATM   38  O   UNL     1       1.714   4.609  -3.144  1.00  0.00           O  
HETATM   39  C   UNL     1       1.031   4.567  -0.885  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.296   5.055  -1.470  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.268   5.240  -0.390  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.514   5.668  -0.672  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.804   5.989  -1.805  1.00  0.00           O  
HETATM   44  C   UNL     1      -3.548   5.748   0.422  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.912   5.588   1.692  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.583   4.639   0.227  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.367   4.893  -1.062  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.872   3.288   0.132  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.547   4.625   1.416  1.00  0.00           C  
HETATM   50  O   UNL     1      -6.514   3.589   1.233  1.00  0.00           O  
HETATM   51  P   UNL     1      -7.686   3.287   2.295  1.00  0.00           P  
HETATM   52  O   UNL     1      -7.093   3.054   3.631  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.686   4.547   2.363  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.503   1.978   1.835  1.00  0.00           O  
HETATM   55  P   UNL     1      -9.545   0.995   2.569  1.00  0.00           P  
HETATM   56  O   UNL     1      -8.751   0.032   3.585  1.00  0.00           O  
HETATM   57  O   UNL     1     -10.534   1.799   3.322  1.00  0.00           O  
HETATM   58  C   UNL     1     -11.371  -0.795   1.792  1.00  0.00           C  
HETATM   59  C   UNL     1     -11.867  -1.481   0.518  1.00  0.00           C  
HETATM   60  O   UNL     1     -10.842  -2.345  -0.020  1.00  0.00           O  
HETATM   61  C   UNL     1     -13.049  -2.423   0.840  1.00  0.00           C  
HETATM   62  O   UNL     1     -14.293  -1.784   0.547  1.00  0.00           O  
HETATM   63  P   UNL     1     -15.464  -1.604   1.637  1.00  0.00           P  
HETATM   64  O   UNL     1     -16.658  -0.730   1.003  1.00  0.00           O  
HETATM   65  O   UNL     1     -14.926  -0.911   2.829  1.00  0.00           O  
HETATM   66  N   UNL     1     -10.729  -4.480  -1.085  1.00  0.00           N  
HETATM   67  N   UNL     1      -9.195  -6.004  -0.787  1.00  0.00           N  
HETATM   68  N   UNL     1      -8.824  -8.400  -2.678  1.00  0.00           N  
HETATM   69  N   UNL     1     -10.639  -7.444  -3.842  1.00  0.00           N  
HETATM   70  N   UNL     1     -11.679  -5.498  -3.155  1.00  0.00           N  
HETATM   71  H   UNL     1     -12.687  -4.544   0.486  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.788  -2.813  -1.824  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.233  -6.570  -4.832  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.343  -4.402   0.585  1.00  0.00           H  
HETATM   75  H   UNL     1     -16.395  -3.562   1.332  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.816  -4.491  -1.641  1.00  0.00           H  
HETATM   77  H   UNL     1      11.767   0.514  -3.463  1.00  0.00           H  
HETATM   78  H   UNL     1      12.303   2.201  -3.270  1.00  0.00           H  
HETATM   79  H   UNL     1      12.728   1.790  -0.862  1.00  0.00           H  
HETATM   80  H   UNL     1      12.193   0.103  -1.055  1.00  0.00           H  
HETATM   81  H   UNL     1      14.008  -0.285  -2.700  1.00  0.00           H  
HETATM   82  H   UNL     1      14.543   1.402  -2.506  1.00  0.00           H  
HETATM   83  H   UNL     1      14.969   0.991  -0.098  1.00  0.00           H  
HETATM   84  H   UNL     1      14.434  -0.696  -0.292  1.00  0.00           H  
HETATM   85  H   UNL     1      16.249  -1.084  -1.936  1.00  0.00           H  
HETATM   86  H   UNL     1      16.784   0.603  -1.742  1.00  0.00           H  
HETATM   87  H   UNL     1      17.210   0.192   0.666  1.00  0.00           H  
HETATM   88  H   UNL     1      16.674  -1.494   0.472  1.00  0.00           H  
HETATM   89  H   UNL     1      18.489  -1.882  -1.172  1.00  0.00           H  
HETATM   90  H   UNL     1      19.025  -0.196  -0.979  1.00  0.00           H  
HETATM   91  H   UNL     1      19.450  -0.607   1.429  1.00  0.00           H  
HETATM   92  H   UNL     1      18.915  -2.293   1.236  1.00  0.00           H  
HETATM   93  H   UNL     1      20.730  -2.681  -0.408  1.00  0.00           H  
HETATM   94  H   UNL     1      21.265  -0.995  -0.215  1.00  0.00           H  
HETATM   95  H   UNL     1      21.691  -1.406   2.193  1.00  0.00           H  
HETATM   96  H   UNL     1      21.156  -3.092   2.000  1.00  0.00           H  
HETATM   97  H   UNL     1      22.971  -3.480   0.356  1.00  0.00           H  
HETATM   98  H   UNL     1      23.506  -1.794   0.549  1.00  0.00           H  
HETATM   99  H   UNL     1      23.932  -2.205   2.957  1.00  0.00           H  
HETATM  100  H   UNL     1      23.396  -3.891   2.764  1.00  0.00           H  
HETATM  101  H   UNL     1      25.211  -4.279   1.120  1.00  0.00           H  
HETATM  102  H   UNL     1      25.747  -2.593   1.313  1.00  0.00           H  
HETATM  103  H   UNL     1      26.172  -3.004   3.721  1.00  0.00           H  
HETATM  104  H   UNL     1      25.637  -4.690   3.528  1.00  0.00           H  
HETATM  105  H   UNL     1      27.452  -5.078   1.884  1.00  0.00           H  
HETATM  106  H   UNL     1      27.987  -3.392   2.077  1.00  0.00           H  
HETATM  107  H   UNL     1      28.413  -3.803   4.485  1.00  0.00           H  
HETATM  108  H   UNL     1      27.878  -5.489   4.292  1.00  0.00           H  
HETATM  109  H   UNL     1      30.228  -4.190   2.841  1.00  0.00           H  
HETATM  110  H   UNL     1      30.350  -5.325   4.207  1.00  0.00           H  
HETATM  111  H   UNL     1      29.693  -5.877   2.648  1.00  0.00           H  
HETATM  112  H   UNL     1       9.788   3.067  -3.864  1.00  0.00           H  
HETATM  113  H   UNL     1       9.252   1.381  -4.057  1.00  0.00           H  
HETATM  114  H   UNL     1       5.419   2.327  -1.695  1.00  0.00           H  
HETATM  115  H   UNL     1       5.955   4.014  -1.502  1.00  0.00           H  
HETATM  116  H   UNL     1       4.407   4.712  -3.309  1.00  0.00           H  
HETATM  117  H   UNL     1       3.871   3.026  -3.502  1.00  0.00           H  
HETATM  118  H   UNL     1       3.531   3.763  -0.797  1.00  0.00           H  
HETATM  119  H   UNL     1       0.874   3.619  -0.371  1.00  0.00           H  
HETATM  120  H   UNL     1       1.410   5.305  -0.178  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.139   6.004  -1.984  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.674   4.317  -2.178  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.014   5.055   0.527  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.044   6.718   0.383  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.450   4.745   1.797  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.156   4.148  -1.161  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.811   5.889  -1.027  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.694   4.826  -1.916  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.313   3.106   1.051  1.00  0.00           H  
HETATM  130  H   UNL     1      -4.609   2.497  -0.007  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.185   3.297  -0.714  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.988   4.444   2.334  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.054   5.588   1.483  1.00  0.00           H  
HETATM  134  H   UNL     1      -9.111   4.758   1.521  1.00  0.00           H  
HETATM  135  H   UNL     1      -8.085  -0.526   3.159  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.009  -1.548   2.493  1.00  0.00           H  
HETATM  137  H   UNL     1     -12.190  -0.239   2.248  1.00  0.00           H  
HETATM  138  H   UNL     1     -12.163  -0.738  -0.222  1.00  0.00           H  
HETATM  139  H   UNL     1     -13.015  -2.736   1.883  1.00  0.00           H  
HETATM  140  H   UNL     1     -17.400  -0.582   1.605  1.00  0.00           H  
HETATM  141  H   UNL     1      -8.771  -9.125  -3.320  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.205  -8.366  -1.932  1.00  0.00           H  
CONECT    1   10   61    2   71                                       
CONECT    2    1   60   66   72                                       
CONECT    3   66   70   70    6                                       
CONECT    4   70   69   69   73                                       
CONECT    5    6    6   69   68                                       
CONECT    6   67    3    5    5                                       
CONECT    7   66   67   67   74                                       
CONECT    8   58   55                                                 
CONECT    9   63   75                                                 
CONECT   10    1   76                                                 
CONECT   11   30   12   14   14                                       
CONECT   12   11   13   77   78                                       
CONECT   13   12   15   79   80                                       
CONECT   14   11   11                                                 
CONECT   15   13   16   81   82                                       
CONECT   16   15   17   83   84                                       
CONECT   17   16   18   85   86                                       
CONECT   18   17   19   87   88                                       
CONECT   19   18   20   89   90                                       
CONECT   20   19   21   91   92                                       
CONECT   21   20   22   93   94                                       
CONECT   22   21   23   95   96                                       
CONECT   23   22   24   97   98                                       
CONECT   24   23   25   99  100                                       
CONECT   25   24   26  101  102                                       
CONECT   26   25   27  103  104                                       
CONECT   27   26   28  105  106                                       
CONECT   28   27   29  107  108                                       
CONECT   29   28  109  110  111                                       
CONECT   30   31   11  112  113                                       
CONECT   31   32   32   33   30                                       
CONECT   32   31   31                                                 
CONECT   33   34   31                                                 
CONECT   34   35   33  114  115                                       
CONECT   35   36   34  116  117                                       
CONECT   36   37   35  118                                            
CONECT   37   39   38   38   36                                       
CONECT   38   37   37                                                 
CONECT   39   40   37  119  120                                       
CONECT   40   41   39  121  122                                       
CONECT   41   42   40  123                                            
CONECT   42   44   41   43   43                                       
CONECT   43   42   42                                                 
CONECT   44   46   45   42  124                                       
CONECT   45   44  125                                                 
CONECT   46   47   49   48   44                                       
CONECT   47   46  126  127  128                                       
CONECT   48   46  129  130  131                                       
CONECT   49   50   46  132  133                                       
CONECT   50   51   49                                                 
CONECT   51   54   52   52   50                                       
CONECT   51   53                                                      
CONECT   52   51   51                                                 
CONECT   53   51  134                                                 
CONECT   54   55   51                                                 
CONECT   55   57   57   56    8                                       
CONECT   55   54                                                      
CONECT   56   55  135                                                 
CONECT   57   55   55                                                 
CONECT   58   59    8  136  137                                       
CONECT   59   61   58   60  138                                       
CONECT   60   59    2                                                 
CONECT   61   62    1   59  139                                       
CONECT   62   63   61                                                 
CONECT   63   65   65    9   64                                       
CONECT   63   62                                                      
CONECT   64   63  140                                                 
CONECT   65   63   63                                                 
CONECT   66    2    7    3                                            
CONECT   67    7    7    6                                            
CONECT   68    5  141  142                                            
CONECT   69    4    4    5                                            
CONECT   70    3    3    4                                            
CONECT   71    1                                                      
CONECT   72    2                                                      
CONECT   73    4                                                      
CONECT   74    7                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   17                                                      
CONECT   86   17                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   22                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   24                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   25                                                      
CONECT  103   26                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   27                                                      
CONECT  107   28                                                      
CONECT  108   28                                                      
CONECT  109   29                                                      
CONECT  110   29                                                      
CONECT  111   29                                                      
CONECT  112   30                                                      
CONECT  113   30                                                      
CONECT  114   34                                                      
CONECT  115   34                                                      
CONECT  116   35                                                      
CONECT  117   35                                                      
CONECT  118   36                                                      
CONECT  119   39                                                      
CONECT  120   39                                                      
CONECT  121   40                                                      
CONECT  122   40                                                      
CONECT  123   41                                                      
CONECT  124   44                                                      
CONECT  125   45                                                      
CONECT  126   47                                                      
CONECT  127   47                                                      
CONECT  128   47                                                      
CONECT  129   48                                                      
CONECT  130   48                                                      
CONECT  131   48                                                      
CONECT  132   49                                                      
CONECT  133   49                                                      
CONECT  134   53                                                      
CONECT  135   56                                                      
CONECT  136   58                                                      
CONECT  137   58                                                      
CONECT  138   59                                                      
CONECT  139   61                                                      
CONECT  140   64                                                      
CONECT  141   68                                                      
CONECT  142   68                                                      
MASTER        0    0    0    0    0    0    0    0  142    0  142    0
END
