COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.447   1.584   1.602  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.377   2.727  -0.476  1.00  0.00           C  
HETATM    3  C   UNL     1       1.671   3.776  -1.452  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.341  -1.991   1.862  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.617  -3.068   0.905  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   0.089   2.057  1.00  0.00           C  
HETATM    7  C   UNL     1       0.204  -1.281   2.189  1.00  0.00           C  
HETATM    8  C   UNL     1       2.273  -0.077   1.506  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.151  -1.159   1.476  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.247   0.296   0.997  1.00  0.00           C  
HETATM   11  C   UNL     1       0.521   1.998   0.488  1.00  0.00           C  
HETATM   12  C   UNL     1       4.651   0.277   1.580  1.00  0.00           C  
HETATM   13  C   UNL     1       4.718  -0.565   0.335  1.00  0.00           C  
HETATM   14  C   UNL     1       5.911   0.390   2.438  1.00  0.00           C  
HETATM   15  C   UNL     1       0.276   4.048  -0.887  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.775   3.147  -0.582  1.00  0.00           C  
HETATM   17  C   UNL     1       2.612   4.917  -1.063  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.424  -2.293   2.703  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.528  -2.760   0.051  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.634  -3.021  -1.324  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.784  -3.631   0.358  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.322  -2.013   4.180  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.783  -3.568  -1.822  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.856  -3.872  -0.978  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.109  -4.393  -3.614  1.00  0.00           C  
HETATM   26  C   UNL     1       6.475  -2.731  -1.303  1.00  0.00           C  
HETATM   27  C   UNL     1       6.996  -3.511  -2.512  1.00  0.00           C  
HETATM   28  C   UNL     1       6.890  -1.986  -2.573  1.00  0.00           C  
HETATM   29  C   UNL     1       7.394  -2.618  -0.085  1.00  0.00           C  
HETATM   30  C   UNL     1       6.227   1.937   0.363  1.00  0.00           C  
HETATM   31  C   UNL     1       5.774   2.875  -0.435  1.00  0.00           C  
HETATM   32  C   UNL     1       4.487   3.581  -0.095  1.00  0.00           C  
HETATM   33  C   UNL     1       4.063   4.474  -1.261  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.126   3.453  -0.858  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.385   2.899  -0.168  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.371   4.078  -0.038  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.936   5.062  -1.152  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.391   4.949  -1.124  1.00  0.00           C  
HETATM   39  N   UNL     1       0.085   0.893   1.123  1.00  0.00           N  
HETATM   40  N   UNL     1       3.342   0.296   2.260  1.00  0.00           N  
HETATM   41  N   UNL     1      -1.665   2.999   0.168  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.414  -2.224   0.567  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.523  -2.818   2.216  1.00  0.00           N  
HETATM   44  N   UNL     1       4.498  -1.893   0.407  1.00  0.00           N  
HETATM   45  O   UNL     1      -2.214  -1.449   2.385  1.00  0.00           O  
HETATM   46  O   UNL     1       2.439  -0.539   0.398  1.00  0.00           O  
HETATM   47  O   UNL     1       1.643   2.408   0.694  1.00  0.00           O  
HETATM   48  O   UNL     1      -3.974   3.299   0.012  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.695   3.143  -1.795  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.883  -3.820  -3.153  1.00  0.00           O  
HETATM   51  O   UNL     1       4.970  -0.049  -0.734  1.00  0.00           O  
HETATM   52  O   UNL     1       3.943  -2.186  -1.945  1.00  0.00           O  
HETATM   53  O   UNL     1       4.363  -4.148  -0.498  1.00  0.00           O  
HETATM   54  S   UNL     1       4.702  -2.840  -0.937  1.00  0.00           S  
HETATM   55  H   UNL     1       5.007   2.428   2.135  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.537   2.110  -1.360  1.00  0.00           H  
HETATM   57  H   UNL     1       2.051   2.838  -1.047  1.00  0.00           H  
HETATM   58  H   UNL     1       1.615   3.706  -2.539  1.00  0.00           H  
HETATM   59  H   UNL     1       0.919   0.579   3.028  1.00  0.00           H  
HETATM   60  H   UNL     1       0.813  -2.048   1.710  1.00  0.00           H  
HETATM   61  H   UNL     1       0.054  -1.525   3.241  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.189  -1.838   0.624  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.566   0.323  -0.045  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.958   0.843   1.616  1.00  0.00           H  
HETATM   65  H   UNL     1       6.799  -0.145   2.101  1.00  0.00           H  
HETATM   66  H   UNL     1       5.780   0.451   3.518  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.336   4.534  -1.647  1.00  0.00           H  
HETATM   68  H   UNL     1       0.358   4.698  -0.016  1.00  0.00           H  
HETATM   69  H   UNL     1       2.409   5.785  -1.691  1.00  0.00           H  
HETATM   70  H   UNL     1       2.452   5.180  -0.018  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.812  -2.790  -1.985  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.620  -3.871   0.998  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.679  -1.003   4.384  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.930  -2.731   4.729  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.282  -2.101   4.496  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.754  -4.304  -1.394  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.056  -4.542  -4.692  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.270  -5.352  -3.121  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.934  -3.721  -3.380  1.00  0.00           H  
HETATM   80  H   UNL     1       7.994  -3.944  -2.439  1.00  0.00           H  
HETATM   81  H   UNL     1       6.273  -4.089  -3.087  1.00  0.00           H  
HETATM   82  H   UNL     1       6.097  -1.561  -3.189  1.00  0.00           H  
HETATM   83  H   UNL     1       7.818  -1.415  -2.541  1.00  0.00           H  
HETATM   84  H   UNL     1       8.319  -2.118  -0.373  1.00  0.00           H  
HETATM   85  H   UNL     1       6.897  -2.040   0.693  1.00  0.00           H  
HETATM   86  H   UNL     1       7.622  -3.615   0.292  1.00  0.00           H  
HETATM   87  H   UNL     1       7.146   1.424   0.132  1.00  0.00           H  
HETATM   88  H   UNL     1       6.320   3.136  -1.328  1.00  0.00           H  
HETATM   89  H   UNL     1       3.709   2.842   0.098  1.00  0.00           H  
HETATM   90  H   UNL     1       4.634   4.193   0.795  1.00  0.00           H  
HETATM   91  H   UNL     1       4.149   3.917  -2.195  1.00  0.00           H  
HETATM   92  H   UNL     1       4.709   5.351  -1.301  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.956   2.931  -1.799  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.826   2.108  -0.775  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.131   2.514   0.820  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.394   3.740  -0.206  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.281   4.545   0.943  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.328   4.748  -2.119  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.254   6.078  -0.916  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.978   5.558  -0.319  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.969   5.247  -2.084  1.00  0.00           H  
HETATM  102  H   UNL     1       3.250   0.558   3.189  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.719   3.072   1.133  1.00  0.00           H  
HETATM  104  H   UNL     1       4.220  -2.294   1.245  1.00  0.00           H  
CONECT    1   14   12   30   55                                       
CONECT    2   41   11   15   56                                       
CONECT    3   15   17   57   58                                       
CONECT    4   18   45   42   42                                       
CONECT    5   43   21   19   19                                       
CONECT    6    8   39    7   59                                       
CONECT    7    6    9   60   61                                       
CONECT    8   40    6   46   46                                       
CONECT    9   45    7   10   62                                       
CONECT   10   39    9   63   64                                       
CONECT   11   47   47   39    2                                       
CONECT   12   14    1   40   13                                       
CONECT   13   12   51   51   44                                       
CONECT   14    1   12   65   66                                       
CONECT   15    2    3   67   68                                       
CONECT   16   48   41   49   49                                       
CONECT   17   33    3   69   70                                       
CONECT   18   22   43   43    4                                       
CONECT   19    5    5   42   20                                       
CONECT   20   19   23   23   71                                       
CONECT   21    5   24   24   72                                       
CONECT   22   18   73   74   75                                       
CONECT   23   24   20   20   50                                       
CONECT   24   21   21   23   76                                       
CONECT   25   50   77   78   79                                       
CONECT   26   54   28   27   29                                       
CONECT   27   28   26   80   81                                       
CONECT   28   26   27   82   83                                       
CONECT   29   26   84   85   86                                       
CONECT   30    1   31   31   87                                       
CONECT   31   30   30   32   88                                       
CONECT   32   31   33   89   90                                       
CONECT   33   32   17   91   92                                       
CONECT   34   38   35   48   93                                       
CONECT   35   36   34   94   95                                       
CONECT   36   37   35   96   97                                       
CONECT   37   36   38   98   99                                       
CONECT   38   37   34  100  101                                       
CONECT   39   11    6   10                                            
CONECT   40   12    8  102                                            
CONECT   41   16    2  103                                            
CONECT   42    4    4   19                                            
CONECT   43   18   18    5                                            
CONECT   44   13   54  104                                            
CONECT   45    4    9                                                 
CONECT   46    8    8                                                 
CONECT   47   11   11                                                 
CONECT   48   34   16                                                 
CONECT   49   16   16                                                 
CONECT   50   23   25                                                 
CONECT   51   13   13                                                 
CONECT   52   54   54                                                 
CONECT   53   54   54                                                 
CONECT   54   53   53   44   52                                       
CONECT   54   52   26                                                 
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   44                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
