COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -14.824  -0.701  -1.015  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.883  -1.850  -1.382  1.00  0.00           C  
HETATM    3  C   UNL     1     -14.589  -3.164  -1.172  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.792   0.197  -0.611  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.568   5.922  -1.476  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.086   1.784  -0.983  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.406   3.113  -1.317  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.107   0.634  -1.229  1.00  0.00           C  
HETATM    9  S   UNL     1     -15.567   4.476  -1.024  1.00  0.00           S  
HETATM   10  O   UNL     1     -15.850   4.539   0.367  1.00  0.00           O  
HETATM   11  O   UNL     1     -16.641   4.362  -1.947  1.00  0.00           O  
HETATM   12  N   UNL     1     -12.984   0.740  -0.295  1.00  0.00           N  
HETATM   13  N   UNL     1     -13.950  -4.322  -1.432  1.00  0.00           N  
HETATM   14  O   UNL     1     -15.732  -3.181  -0.768  1.00  0.00           O  
HETATM   15  O   UNL     1     -11.649  -0.380  -1.668  1.00  0.00           O  
HETATM   16  C   UNL     1     -10.636   0.306   0.350  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.316   1.781   0.598  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.227   1.895   1.666  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.818   3.361   1.825  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.764   1.368   2.999  1.00  0.00           C  
HETATM   21  N   UNL     1      -9.462  -0.360  -0.220  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.498  -0.838   0.591  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.564  -0.651   1.788  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.337  -1.605   0.012  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.700  -3.089  -0.075  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.517  -3.870  -0.653  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.025  -3.618   1.323  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.919  -3.264  -0.984  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.163  -1.439   0.872  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.926  -1.578   0.357  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.784  -1.841  -0.818  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.718  -1.407   1.243  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.716   0.004   1.835  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.561   0.138   2.829  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.501  -1.607   0.452  1.00  0.00           N  
HETATM   36  C   UNL     1      -1.362  -2.002   1.056  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.346  -2.192   2.254  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.111  -2.207   0.243  1.00  0.00           C  
HETATM   39  C   UNL     1       1.028  -2.651   1.163  1.00  0.00           C  
HETATM   40  O   UNL     1       2.215  -2.846   0.392  1.00  0.00           O  
HETATM   41  C   UNL     1       3.345  -3.265   1.161  1.00  0.00           C  
HETATM   42  C   UNL     1       4.553  -3.441   0.237  1.00  0.00           C  
HETATM   43  O   UNL     1       4.919  -2.175  -0.315  1.00  0.00           O  
HETATM   44  C   UNL     1       6.042  -2.229  -1.197  1.00  0.00           C  
HETATM   45  C   UNL     1       6.343  -0.826  -1.726  1.00  0.00           C  
HETATM   46  O   UNL     1       6.752   0.014  -0.644  1.00  0.00           O  
HETATM   47  C   UNL     1       7.058   1.355  -1.033  1.00  0.00           C  
HETATM   48  C   UNL     1       7.481   2.158   0.199  1.00  0.00           C  
HETATM   49  O   UNL     1       8.702   1.627   0.718  1.00  0.00           O  
HETATM   50  C   UNL     1       9.187   2.309   1.876  1.00  0.00           C  
HETATM   51  C   UNL     1      10.491   1.659   2.343  1.00  0.00           C  
HETATM   52  N   UNL     1      11.523   1.847   1.321  1.00  0.00           N  
HETATM   53  C   UNL     1      12.762   1.354   1.516  1.00  0.00           C  
HETATM   54  O   UNL     1      13.023   0.755   2.538  1.00  0.00           O  
HETATM   55  C   UNL     1      13.825   1.548   0.465  1.00  0.00           C  
HETATM   56  C   UNL     1      15.128   0.897   0.932  1.00  0.00           C  
HETATM   57  C   UNL     1      16.207   1.094  -0.136  1.00  0.00           C  
HETATM   58  C   UNL     1      17.511   0.443   0.331  1.00  0.00           C  
HETATM   59  C   UNL     1      18.589   0.639  -0.736  1.00  0.00           C  
HETATM   60  C   UNL     1      19.907  -0.053  -0.321  1.00  0.00           C  
HETATM   61  C   UNL     1      21.059   0.884  -0.729  1.00  0.00           C  
HETATM   62  C   UNL     1      20.557   2.160  -1.350  1.00  0.00           C  
HETATM   63  S   UNL     1      19.089   2.399  -0.843  1.00  0.00           S  
HETATM   64  N   UNL     1      20.109  -1.248  -1.153  1.00  0.00           N  
HETATM   65  N   UNL     1      21.806   0.105  -1.730  1.00  0.00           N  
HETATM   66  C   UNL     1      21.201  -1.076  -1.911  1.00  0.00           C  
HETATM   67  O   UNL     1      21.606  -1.916  -2.690  1.00  0.00           O  
HETATM   68  H   UNL     1     -15.711  -0.742  -1.647  1.00  0.00           H  
HETATM   69  H   UNL     1     -15.118  -0.792   0.030  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.589  -1.759  -2.428  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.996  -1.809  -0.751  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.260   5.839  -2.518  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.160   6.827  -1.343  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.685   5.967  -0.838  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.390   1.784   0.064  1.00  0.00           H  
HETATM   76  H   UNL     1     -15.964   1.656  -1.616  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.528   3.241  -0.684  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.102   3.112  -2.364  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.735   0.687  -2.253  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.098   1.201   0.550  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.035  -4.309  -1.755  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.404  -5.168  -1.296  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.901  -0.171   1.294  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.965   2.237  -0.328  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.214   2.296   0.938  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.360   1.307   1.366  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.686   3.949   2.125  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.043   3.442   2.586  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.436   3.736   0.875  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.988   1.449   3.760  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.630   1.957   3.300  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.054   0.324   2.886  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.378  -0.456  -1.182  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.114  -1.227  -0.986  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.649  -3.745  -0.006  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.775  -4.927  -0.715  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.285  -3.493  -1.649  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.868  -3.062   1.734  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.283  -4.675   1.261  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.157  -3.493   1.970  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.724  -2.794  -1.947  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.113  -4.327  -1.130  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.787  -2.797  -0.520  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.277  -1.228   1.812  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.752  -2.139   2.049  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.592   0.734   1.035  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.660   0.184   2.348  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.559   1.143   3.251  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.684  -0.592   3.629  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.616  -0.042   2.316  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.514  -1.455  -0.506  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.289  -2.974  -0.511  1.00  0.00           H  
HETATM  113  H   UNL     1       0.162  -1.273  -0.247  1.00  0.00           H  
HETATM  114  H   UNL     1       1.206  -1.884   1.917  1.00  0.00           H  
HETATM  115  H   UNL     1       0.756  -3.586   1.653  1.00  0.00           H  
HETATM  116  H   UNL     1       3.572  -2.510   1.914  1.00  0.00           H  
HETATM  117  H   UNL     1       3.121  -4.212   1.651  1.00  0.00           H  
HETATM  118  H   UNL     1       5.390  -3.845   0.807  1.00  0.00           H  
HETATM  119  H   UNL     1       4.296  -4.129  -0.568  1.00  0.00           H  
HETATM  120  H   UNL     1       6.910  -2.608  -0.657  1.00  0.00           H  
HETATM  121  H   UNL     1       5.817  -2.892  -2.033  1.00  0.00           H  
HETATM  122  H   UNL     1       7.142  -0.880  -2.466  1.00  0.00           H  
HETATM  123  H   UNL     1       5.447  -0.412  -2.189  1.00  0.00           H  
HETATM  124  H   UNL     1       7.872   1.346  -1.758  1.00  0.00           H  
HETATM  125  H   UNL     1       6.177   1.813  -1.481  1.00  0.00           H  
HETATM  126  H   UNL     1       7.629   3.201  -0.081  1.00  0.00           H  
HETATM  127  H   UNL     1       6.703   2.093   0.960  1.00  0.00           H  
HETATM  128  H   UNL     1       9.370   3.355   1.631  1.00  0.00           H  
HETATM  129  H   UNL     1       8.445   2.247   2.672  1.00  0.00           H  
HETATM  130  H   UNL     1      10.814   2.121   3.275  1.00  0.00           H  
HETATM  131  H   UNL     1      10.328   0.593   2.503  1.00  0.00           H  
HETATM  132  H   UNL     1      11.315   2.326   0.503  1.00  0.00           H  
HETATM  133  H   UNL     1      13.502   1.085  -0.468  1.00  0.00           H  
HETATM  134  H   UNL     1      13.988   2.613   0.305  1.00  0.00           H  
HETATM  135  H   UNL     1      15.452   1.359   1.864  1.00  0.00           H  
HETATM  136  H   UNL     1      14.966  -0.169   1.092  1.00  0.00           H  
HETATM  137  H   UNL     1      15.884   0.631  -1.068  1.00  0.00           H  
HETATM  138  H   UNL     1      16.370   2.159  -0.296  1.00  0.00           H  
HETATM  139  H   UNL     1      17.834   0.905   1.264  1.00  0.00           H  
HETATM  140  H   UNL     1      17.348  -0.623   0.491  1.00  0.00           H  
HETATM  141  H   UNL     1      18.247   0.274  -1.704  1.00  0.00           H  
HETATM  142  H   UNL     1      19.919  -0.293   0.742  1.00  0.00           H  
HETATM  143  H   UNL     1      21.693   1.100   0.131  1.00  0.00           H  
HETATM  144  H   UNL     1      21.106   2.799  -2.026  1.00  0.00           H  
HETATM  145  H   UNL     1      19.543  -2.036  -1.153  1.00  0.00           H  
HETATM  146  H   UNL     1      22.609   0.401  -2.187  1.00  0.00           H  
HETATM  147  H   UNL     1      19.265   2.737   0.447  1.00  0.00           H  
CONECT    1    8    2   68   69                                       
CONECT    2    1    3   70   71                                       
CONECT    3    2   13   14   14                                       
CONECT    4   16   15   15   12                                       
CONECT    5    9   72   73   74                                       
CONECT    6    7    8   75   76                                       
CONECT    7    9    6   77   78                                       
CONECT    8   12    6    1   79                                       
CONECT    9    5    7   10   10                                       
CONECT    9   11   11                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    4    8   80                                            
CONECT   13    3   81   82                                            
CONECT   14    3    3                                                 
CONECT   15    4    4                                                 
CONECT   16   17   21    4   83                                       
CONECT   17   18   16   84   85                                       
CONECT   18   20   19   17   86                                       
CONECT   19   18   87   88   89                                       
CONECT   20   18   90   91   92                                       
CONECT   21   22   16   93                                            
CONECT   22   24   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   29   25   22   94                                       
CONECT   25   28   24   26   27                                       
CONECT   26   25   95   96   97                                       
CONECT   27   25   98   99  100                                       
CONECT   28   25  101  102  103                                       
CONECT   29   30   24  104                                            
CONECT   30   31   31   32   29                                       
CONECT   31   30   30                                                 
CONECT   32   35   30   33  105                                       
CONECT   33   34   32  106  107                                       
CONECT   34   33  108  109  110                                       
CONECT   35   36   32  111                                            
CONECT   36   38   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   36  112  113                                       
CONECT   39   40   38  114  115                                       
CONECT   40   41   39                                                 
CONECT   41   42   40  116  117                                       
CONECT   42   43   41  118  119                                       
CONECT   43   44   42                                                 
CONECT   44   45   43  120  121                                       
CONECT   45   44   46  122  123                                       
CONECT   46   47   45                                                 
CONECT   47   48   46  124  125                                       
CONECT   48   49   47  126  127                                       
CONECT   49   50   48                                                 
CONECT   50   51   49  128  129                                       
CONECT   51   52   50  130  131                                       
CONECT   52   53   51  132                                            
CONECT   53   55   54   54   52                                       
CONECT   54   53   53                                                 
CONECT   55   56   53  133  134                                       
CONECT   56   57   55  135  136                                       
CONECT   57   58   56  137  138                                       
CONECT   58   59   57  139  140                                       
CONECT   59   63   60   58  141                                       
CONECT   60   61   59   64  142                                       
CONECT   61   62   65   60  143                                       
CONECT   62   61   63   63  144                                       
CONECT   63   62   62   59  147                                       
CONECT   64   60   66  145                                            
CONECT   65   61   66  146                                            
CONECT   66   65   64   67   67                                       
CONECT   67   66   66                                                 
CONECT   68    1                                                      
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    6                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   19                                                      
CONECT   90   20                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   24                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   28                                                      
CONECT  102   28                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   34                                                      
CONECT  110   34                                                      
CONECT  111   35                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   41                                                      
CONECT  117   41                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   44                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   45                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   48                                                      
CONECT  127   48                                                      
CONECT  128   50                                                      
CONECT  129   50                                                      
CONECT  130   51                                                      
CONECT  131   51                                                      
CONECT  132   52                                                      
CONECT  133   55                                                      
CONECT  134   55                                                      
CONECT  135   56                                                      
CONECT  136   56                                                      
CONECT  137   57                                                      
CONECT  138   57                                                      
CONECT  139   58                                                      
CONECT  140   58                                                      
CONECT  141   59                                                      
CONECT  142   60                                                      
CONECT  143   61                                                      
CONECT  144   62                                                      
CONECT  145   64                                                      
CONECT  146   65                                                      
CONECT  147   63                                                      
MASTER        0    0    0    0    0    0    0    0  147    0  147    0
END
