COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.572   0.893   0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       3.030   1.331   0.045  1.00  0.00           C  
HETATM    3  C   UNL     1       3.118   3.656   0.966  1.00  0.00           C  
HETATM    4  C   UNL     1       3.190   5.025   0.800  1.00  0.00           C  
HETATM    5  C   UNL     1       3.246   5.567  -0.477  1.00  0.00           C  
HETATM    6  C   UNL     1       3.230   4.729  -1.585  1.00  0.00           C  
HETATM    7  C   UNL     1       3.158   3.361  -1.413  1.00  0.00           C  
HETATM    8  O   UNL     1       0.721  -1.052  -0.821  1.00  0.00           O  
HETATM    9  C   UNL     1       1.402  -0.582   0.106  1.00  0.00           C  
HETATM   10  C   UNL     1       3.335   7.834   0.521  1.00  0.00           C  
HETATM   11  C   UNL     1       3.378   7.521  -1.996  1.00  0.00           C  
HETATM   12  C   UNL     1       3.001  -1.273   1.889  1.00  0.00           C  
HETATM   13  C   UNL     1       4.170  -2.167   1.466  1.00  0.00           C  
HETATM   14  C   UNL     1       3.668  -3.200   0.489  1.00  0.00           C  
HETATM   15  C   UNL     1       2.348  -3.879   0.759  1.00  0.00           C  
HETATM   16  C   UNL     1       1.260  -2.827   0.973  1.00  0.00           C  
HETATM   17  C   UNL     1       5.263  -1.326   0.807  1.00  0.00           C  
HETATM   18  C   UNL     1       7.867  -1.218  -0.319  1.00  0.00           C  
HETATM   19  C   UNL     1       9.198  -1.932  -0.589  1.00  0.00           C  
HETATM   20  C   UNL     1       8.941  -3.096  -1.554  1.00  0.00           C  
HETATM   21  C   UNL     1      10.156  -0.941  -1.262  1.00  0.00           C  
HETATM   22  C   UNL     1       7.296  -0.717  -1.648  1.00  0.00           C  
HETATM   23  C   UNL     1       8.341  -2.542  -2.849  1.00  0.00           C  
HETATM   24  C   UNL     1       9.522  -0.447  -2.566  1.00  0.00           C  
HETATM   25  C   UNL     1       0.601  -3.050   2.305  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.576  -2.754   1.250  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.850  -2.065   1.698  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.949  -4.058   0.587  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.296  -5.151   1.359  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.639  -6.345   0.752  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.634  -6.446  -0.627  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.288  -5.352  -1.399  1.00  0.00           C  
HETATM   33  C   UNL     1       3.102   2.824  -0.139  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.950  -4.157  -0.792  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.295  -2.150   1.815  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.375  -1.980   3.326  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.774  -0.919   1.064  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.030   0.338   1.404  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.464  -0.510  -1.243  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.364  -0.773  -2.694  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.373  -1.933  -4.425  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.155  -1.280  -5.367  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.072  -0.333  -4.949  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.182  -0.071  -3.586  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.324   2.588   0.873  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.960   3.660  -0.016  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.473   3.678   0.211  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.827   2.605   0.755  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.702   3.533   1.680  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.104   4.947   1.716  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.251   5.912   1.390  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.511   5.037   1.315  1.00  0.00           C  
HETATM   53  C   UNL     1       0.117   2.684   0.761  1.00  0.00           C  
HETATM   54  C   UNL     1       0.905   1.166   2.523  1.00  0.00           C  
HETATM   55  N   UNL     1       3.318   6.951  -0.648  1.00  0.00           N  
HETATM   56  N   UNL     1       1.885  -1.487   0.967  1.00  0.00           N  
HETATM   57  N   UNL     1       8.208  -1.083  -2.739  1.00  0.00           N  
HETATM   58  N   UNL     1      -0.750  -3.017   2.440  1.00  0.00           N  
HETATM   59  N   UNL     1      -5.674  -1.180  -0.380  1.00  0.00           N  
HETATM   60  N   UNL     1      -4.827   1.266   0.417  1.00  0.00           N  
HETATM   61  N   UNL     1      -5.494  -1.670  -3.143  1.00  0.00           N  
HETATM   62  N   UNL     1      -2.087   3.644   1.195  1.00  0.00           N  
HETATM   63  N   UNL     1       0.843   1.605   1.132  1.00  0.00           N  
HETATM   64  O   UNL     1       4.307  -3.479  -0.494  1.00  0.00           O  
HETATM   65  O   UNL     1       1.287  -3.270   3.288  1.00  0.00           O  
HETATM   66  O   UNL     1      -4.016  -2.608   1.374  1.00  0.00           O  
HETATM   67  O   UNL     1      -2.754  -1.040   2.327  1.00  0.00           O  
HETATM   68  O   UNL     1      -4.611   0.575   2.519  1.00  0.00           O  
HETATM   69  O   UNL     1      -8.068   0.849  -3.129  1.00  0.00           O  
HETATM   70  O   UNL     1      -7.259   0.310  -0.827  1.00  0.00           O  
HETATM   71  O   UNL     1      -2.264   1.653   0.239  1.00  0.00           O  
HETATM   72  O   UNL     1       0.143   2.998  -0.417  1.00  0.00           O  
HETATM   73  S   UNL     1       6.699  -2.375   0.447  1.00  0.00           S  
HETATM   74  H   UNL     1       1.124   1.241  -0.881  1.00  0.00           H  
HETATM   75  H   UNL     1       3.513   1.056   0.983  1.00  0.00           H  
HETATM   76  H   UNL     1       3.538   0.837  -0.784  1.00  0.00           H  
HETATM   77  H   UNL     1       3.079   3.234   1.959  1.00  0.00           H  
HETATM   78  H   UNL     1       3.202   5.674   1.664  1.00  0.00           H  
HETATM   79  H   UNL     1       3.273   5.147  -2.580  1.00  0.00           H  
HETATM   80  H   UNL     1       3.145   2.708  -2.274  1.00  0.00           H  
HETATM   81  H   UNL     1       4.365   8.002   0.835  1.00  0.00           H  
HETATM   82  H   UNL     1       2.874   8.787   0.264  1.00  0.00           H  
HETATM   83  H   UNL     1       2.779   7.369   1.335  1.00  0.00           H  
HETATM   84  H   UNL     1       4.418   7.612  -2.307  1.00  0.00           H  
HETATM   85  H   UNL     1       2.847   6.869  -2.690  1.00  0.00           H  
HETATM   86  H   UNL     1       2.912   8.506  -1.995  1.00  0.00           H  
HETATM   87  H   UNL     1       2.681  -1.586   2.894  1.00  0.00           H  
HETATM   88  H   UNL     1       3.316  -0.245   1.945  1.00  0.00           H  
HETATM   89  H   UNL     1       4.579  -2.671   2.345  1.00  0.00           H  
HETATM   90  H   UNL     1       2.083  -4.515  -0.083  1.00  0.00           H  
HETATM   91  H   UNL     1       2.440  -4.488   1.658  1.00  0.00           H  
HETATM   92  H   UNL     1       0.548  -2.893   0.159  1.00  0.00           H  
HETATM   93  H   UNL     1       4.883  -0.900  -0.122  1.00  0.00           H  
HETATM   94  H   UNL     1       5.559  -0.523   1.481  1.00  0.00           H  
HETATM   95  H   UNL     1       8.035  -0.373   0.349  1.00  0.00           H  
HETATM   96  H   UNL     1       9.627  -2.292   0.346  1.00  0.00           H  
HETATM   97  H   UNL     1       9.881  -3.602  -1.774  1.00  0.00           H  
HETATM   98  H   UNL     1       8.243  -3.800  -1.100  1.00  0.00           H  
HETATM   99  H   UNL     1      10.332  -0.095  -0.598  1.00  0.00           H  
HETATM  100  H   UNL     1      11.101  -1.438  -1.481  1.00  0.00           H  
HETATM  101  H   UNL     1       6.321  -1.173  -1.820  1.00  0.00           H  
HETATM  102  H   UNL     1       7.189   0.367  -1.612  1.00  0.00           H  
HETATM  103  H   UNL     1       8.995  -2.786  -3.687  1.00  0.00           H  
HETATM  104  H   UNL     1       7.359  -2.985  -3.014  1.00  0.00           H  
HETATM  105  H   UNL     1       9.399   0.635  -2.523  1.00  0.00           H  
HETATM  106  H   UNL     1      10.166  -0.708  -3.405  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.055  -2.114   0.548  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.300  -5.073   2.436  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.909  -7.200   1.355  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.901  -7.379  -1.101  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.284  -5.431  -2.476  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.683  -3.302  -1.395  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.023  -2.965   1.561  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.632  -1.250   3.649  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.370  -1.630   3.601  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.179  -2.936   3.811  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.840  -0.760   1.293  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.653  -2.670  -4.751  1.00  0.00           H  
HETATM  119  H   UNL     1      -6.045  -1.507  -6.417  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.689   0.192  -5.664  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.619   2.750   1.908  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.543   4.635   0.236  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.752   3.435  -1.062  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.926   4.442  -0.422  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.890   2.703  -0.041  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.681   3.903   1.257  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.726   3.133   2.691  1.00  0.00           H  
HETATM  128  H   UNL     1       0.298   5.159   2.704  1.00  0.00           H  
HETATM  129  H   UNL     1       0.681   5.032   0.966  1.00  0.00           H  
HETATM  130  H   UNL     1      -1.355   6.661   2.170  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.074   6.392   0.427  1.00  0.00           H  
HETATM  132  H   UNL     1      -3.113   5.179   2.206  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.075   5.339   0.431  1.00  0.00           H  
HETATM  134  H   UNL     1       1.736   1.663   3.024  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.027   1.421   3.027  1.00  0.00           H  
HETATM  136  H   UNL     1       1.053   0.087   2.557  1.00  0.00           H  
HETATM  137  H   UNL     1      -1.163  -3.174   3.312  1.00  0.00           H  
HETATM  138  H   UNL     1      -5.040  -1.835  -0.712  1.00  0.00           H  
HETATM  139  H   UNL     1      -4.999   1.097  -0.521  1.00  0.00           H  
HETATM  140  H   UNL     1      -8.942   0.487  -2.926  1.00  0.00           H  
CONECT    1    9    2   63   74                                       
CONECT    2    1   33   75   76                                       
CONECT    3    4    4   33   77                                       
CONECT    4    3    3    5   78                                       
CONECT    5    4   55    6    6                                       
CONECT    6    5    5    7   79                                       
CONECT    7   33   33    6   80                                       
CONECT    8    9    9                                                 
CONECT    9   56    1    8    8                                       
CONECT   10   55   81   82   83                                       
CONECT   11   55   84   85   86                                       
CONECT   12   13   56   87   88                                       
CONECT   13   14   12   17   89                                       
CONECT   14   64   64   15   13                                       
CONECT   15   14   16   90   91                                       
CONECT   16   25   15   56   92                                       
CONECT   17   13   73   93   94                                       
CONECT   18   19   73   22   95                                       
CONECT   19   20   21   18   96                                       
CONECT   20   19   23   97   98                                       
CONECT   21   19   24   99  100                                       
CONECT   22   18   57  101  102                                       
CONECT   23   20   57  103  104                                       
CONECT   24   21   57  105  106                                       
CONECT   25   65   65   58   16                                       
CONECT   26   27   58   28  107                                       
CONECT   27   67   67   66   26                                       
CONECT   28   26   29   29   34                                       
CONECT   29   28   28   30  108                                       
CONECT   30   29   31   31  109                                       
CONECT   31   30   30   32  110                                       
CONECT   32   34   34   31  111                                       
CONECT   33    3    2    7    7                                       
CONECT   34   28   32   32  112                                       
CONECT   35   36   37   66  113                                       
CONECT   36   35  114  115  116                                       
CONECT   37   59   35   38  117                                       
CONECT   38   37   68   68   60                                       
CONECT   39   40   59   70   70                                       
CONECT   40   44   39   61   61                                       
CONECT   41   42   42   61  118                                       
CONECT   42   43   41   41  119                                       
CONECT   43   44   44   42  120                                       
CONECT   44   69   43   43   40                                       
CONECT   45   60   46   48  121                                       
CONECT   46   45   47  122  123                                       
CONECT   47   46  124  125  126                                       
CONECT   48   45   71   71   62                                       
CONECT   49   62   53   50  127                                       
CONECT   50   49   51  128  129                                       
CONECT   51   52   50  130  131                                       
CONECT   52   62   51  132  133                                       
CONECT   53   49   72   72   63                                       
CONECT   54   63  134  135  136                                       
CONECT   55   10    5   11                                            
CONECT   56   16   12    9                                            
CONECT   57   23   24   22                                            
CONECT   58   26   25  137                                            
CONECT   59   39   37  138                                            
CONECT   60   38   45  139                                            
CONECT   61   40   40   41                                            
CONECT   62   48   52   49                                            
CONECT   63    1   53   54                                            
CONECT   64   14   14                                                 
CONECT   65   25   25                                                 
CONECT   66   35   27                                                 
CONECT   67   27   27                                                 
CONECT   68   38   38                                                 
CONECT   69   44  140                                                 
CONECT   70   39   39                                                 
CONECT   71   48   48                                                 
CONECT   72   53   53                                                 
CONECT   73   18   17                                                 
CONECT   74    1                                                      
CONECT   75    2                                                      
CONECT   76    2                                                      
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    6                                                      
CONECT   80    7                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   10                                                      
CONECT   84   11                                                      
CONECT   85   11                                                      
CONECT   86   11                                                      
CONECT   87   12                                                      
CONECT   88   12                                                      
CONECT   89   13                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   17                                                      
CONECT   95   18                                                      
CONECT   96   19                                                      
CONECT   97   20                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   23                                                      
CONECT  104   23                                                      
CONECT  105   24                                                      
CONECT  106   24                                                      
CONECT  107   26                                                      
CONECT  108   29                                                      
CONECT  109   30                                                      
CONECT  110   31                                                      
CONECT  111   32                                                      
CONECT  112   34                                                      
CONECT  113   35                                                      
CONECT  114   36                                                      
CONECT  115   36                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   41                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   47                                                      
CONECT  127   49                                                      
CONECT  128   50                                                      
CONECT  129   50                                                      
CONECT  130   51                                                      
CONECT  131   51                                                      
CONECT  132   52                                                      
CONECT  133   52                                                      
CONECT  134   54                                                      
CONECT  135   54                                                      
CONECT  136   54                                                      
CONECT  137   58                                                      
CONECT  138   59                                                      
CONECT  139   60                                                      
CONECT  140   69                                                      
MASTER        0    0    0    0    0    0    0    0  140    0  140    0
END
