COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.299  -1.530  -2.303  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.043   0.401   0.112  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.435   0.507   1.600  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.807  -0.206   1.294  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.704   0.778   2.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.366  -1.250  -0.911  1.00  0.00           C  
HETATM    7  C   UNL     1       0.485   0.750  -2.080  1.00  0.00           C  
HETATM    8  C   UNL     1       0.694  -0.530  -2.932  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.037   0.689  -1.795  1.00  0.00           C  
HETATM   10  C   UNL     1       0.657  -5.303   2.291  1.00  0.00           C  
HETATM   11  C   UNL     1       1.504  -5.534   1.319  1.00  0.00           C  
HETATM   12  C   UNL     1       1.146  -5.163  -0.097  1.00  0.00           C  
HETATM   13  C   UNL     1       2.083  -5.637  -1.209  1.00  0.00           C  
HETATM   14  C   UNL     1       2.050  -4.159  -0.815  1.00  0.00           C  
HETATM   15  C   UNL     1       0.422  -2.419  -1.322  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.286  -0.328  -0.154  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.703  -0.046  -0.030  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.291  -0.099  -0.637  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.364   0.301   1.314  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.875  -1.577   1.971  1.00  0.00           C  
HETATM   21  C   UNL     1       1.289   2.984  -2.125  1.00  0.00           C  
HETATM   22  C   UNL     1       1.635   4.165  -2.799  1.00  0.00           C  
HETATM   23  C   UNL     1       1.488   4.238  -4.297  1.00  0.00           C  
HETATM   24  C   UNL     1       2.217   5.144  -0.809  1.00  0.00           C  
HETATM   25  C   UNL     1       2.696   6.245  -0.078  1.00  0.00           C  
HETATM   26  C   UNL     1       2.820   6.157   1.273  1.00  0.00           C  
HETATM   27  C   UNL     1       2.477   4.983   1.951  1.00  0.00           C  
HETATM   28  C   UNL     1       2.008   3.894   1.272  1.00  0.00           C  
HETATM   29  C   UNL     1       1.868   3.952  -0.124  1.00  0.00           C  
HETATM   30  C   UNL     1       3.108   6.094   3.955  1.00  0.00           C  
HETATM   31  C   UNL     1       3.231  -3.616  -0.051  1.00  0.00           C  
HETATM   32  C   UNL     1       5.373  -1.199   0.107  1.00  0.00           C  
HETATM   33  C   UNL     1       6.682  -0.486   0.449  1.00  0.00           C  
HETATM   34  C   UNL     1       5.471   0.323  -0.019  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.976   0.663   1.577  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.398  -0.280   0.423  1.00  0.00           C  
HETATM   37  C   UNL     1       5.329  -2.014  -1.187  1.00  0.00           C  
HETATM   38  N   UNL     1       1.416  -3.224  -1.747  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.328  -0.744  -1.607  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.647  -0.871  -0.174  1.00  0.00           N  
HETATM   41  N   UNL     1       2.085   5.205  -2.139  1.00  0.00           N  
HETATM   42  N   UNL     1       1.410   2.901  -0.815  1.00  0.00           N  
HETATM   43  N   UNL     1       3.076  -2.552   0.761  1.00  0.00           N  
HETATM   44  O   UNL     1       0.107  -2.411  -0.151  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.559  -2.447  -0.895  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.527   1.147   0.117  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.953  -0.545  -0.049  1.00  0.00           O  
HETATM   48  O   UNL     1       0.820   1.922  -2.825  1.00  0.00           O  
HETATM   49  O   UNL     1       2.612   4.924   3.301  1.00  0.00           O  
HETATM   50  O   UNL     1       4.320  -4.137  -0.168  1.00  0.00           O  
HETATM   51  O   UNL     1       5.073  -2.957   2.092  1.00  0.00           O  
HETATM   52  O   UNL     1       3.858  -0.809   2.269  1.00  0.00           O  
HETATM   53  S   UNL     1       4.397  -1.864   1.485  1.00  0.00           S  
HETATM   54  H   UNL     1      -0.759  -2.136  -3.083  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.748   1.380  -0.267  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.151  -0.399   2.135  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.970   1.382   2.056  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.732   0.417   2.034  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.363   0.865   3.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.656   1.755   1.566  1.00  0.00           H  
HETATM   61  H   UNL     1       1.058   0.701  -1.154  1.00  0.00           H  
HETATM   62  H   UNL     1       1.718  -0.892  -2.838  1.00  0.00           H  
HETATM   63  H   UNL     1       0.444  -0.343  -3.976  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.276   1.247  -0.890  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.597   1.082  -2.643  1.00  0.00           H  
HETATM   66  H   UNL     1       0.913  -5.568   3.306  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.299  -4.847   2.077  1.00  0.00           H  
HETATM   68  H   UNL     1       2.460  -5.989   1.533  1.00  0.00           H  
HETATM   69  H   UNL     1       0.079  -5.128  -0.318  1.00  0.00           H  
HETATM   70  H   UNL     1       2.959  -6.216  -0.917  1.00  0.00           H  
HETATM   71  H   UNL     1       1.633  -5.914  -2.163  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.280   0.656  -0.622  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.601   0.636  -1.379  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.078  -1.052  -1.121  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.330   1.316   0.919  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.991   0.297   2.338  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.742  -0.349   0.699  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.236  -2.279   1.434  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.534  -1.491   3.002  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.903  -1.939   1.957  1.00  0.00           H  
HETATM   81  H   UNL     1       0.491   4.602  -4.548  1.00  0.00           H  
HETATM   82  H   UNL     1       2.236   4.920  -4.703  1.00  0.00           H  
HETATM   83  H   UNL     1       1.631   3.246  -4.726  1.00  0.00           H  
HETATM   84  H   UNL     1       2.965   7.158  -0.588  1.00  0.00           H  
HETATM   85  H   UNL     1       3.189   7.006   1.830  1.00  0.00           H  
HETATM   86  H   UNL     1       1.747   2.993   1.806  1.00  0.00           H  
HETATM   87  H   UNL     1       3.167   5.913   5.029  1.00  0.00           H  
HETATM   88  H   UNL     1       4.100   6.332   3.572  1.00  0.00           H  
HETATM   89  H   UNL     1       2.434   6.930   3.765  1.00  0.00           H  
HETATM   90  H   UNL     1       6.958  -0.416   1.501  1.00  0.00           H  
HETATM   91  H   UNL     1       7.513  -0.597  -0.249  1.00  0.00           H  
HETATM   92  H   UNL     1       5.504   0.744  -1.024  1.00  0.00           H  
HETATM   93  H   UNL     1       4.949   0.924   0.726  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.412   0.337   2.521  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.257   1.694   1.360  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.365   0.020   0.019  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.431  -1.313   0.767  1.00  0.00           H  
HETATM   98  H   UNL     1       6.083  -2.800  -1.147  1.00  0.00           H  
HETATM   99  H   UNL     1       4.342  -2.462  -1.300  1.00  0.00           H  
HETATM  100  H   UNL     1       5.530  -1.360  -2.035  1.00  0.00           H  
HETATM  101  H   UNL     1       1.712  -3.184  -2.670  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.787  -1.823  -0.292  1.00  0.00           H  
HETATM  103  H   UNL     1       2.191  -2.189   0.922  1.00  0.00           H  
CONECT    1    8   39   15   54                                       
CONECT    2   47   18    3   55                                       
CONECT    3    2   35   56   57                                       
CONECT    4   20    5   16   19                                       
CONECT    5    4   58   59   60                                       
CONECT    6   16   39   45   45                                       
CONECT    7    9    8   48   61                                       
CONECT    8    7    1   62   63                                       
CONECT    9    7   39   64   65                                       
CONECT   10   11   11   66   67                                       
CONECT   11   10   10   12   68                                       
CONECT   12   11   14   13   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   31   38   12   13                                       
CONECT   15   44   44    1   38                                       
CONECT   16    4    6   40   72                                       
CONECT   17   46   46   40   47                                       
CONECT   18    2   36   73   74                                       
CONECT   19    4   75   76   77                                       
CONECT   20    4   78   79   80                                       
CONECT   21   42   48   22   22                                       
CONECT   22   21   21   41   23                                       
CONECT   23   22   81   82   83                                       
CONECT   24   29   25   41   41                                       
CONECT   25   26   26   24   84                                       
CONECT   26   27   25   25   85                                       
CONECT   27   49   28   28   26                                       
CONECT   28   27   27   29   86                                       
CONECT   29   28   42   42   24                                       
CONECT   30   49   87   88   89                                       
CONECT   31   43   50   50   14                                       
CONECT   32   37   34   33   53                                       
CONECT   33   34   32   90   91                                       
CONECT   34   32   33   92   93                                       
CONECT   35    3   36   94   95                                       
CONECT   36   18   35   96   97                                       
CONECT   37   32   98   99  100                                       
CONECT   38   15   14  101                                            
CONECT   39    9    6    1                                            
CONECT   40   16   17  102                                            
CONECT   41   24   24   22                                            
CONECT   42   29   29   21                                            
CONECT   43   53   31  103                                            
CONECT   44   15   15                                                 
CONECT   45    6    6                                                 
CONECT   46   17   17                                                 
CONECT   47   17    2                                                 
CONECT   48    7   21                                                 
CONECT   49   30   27                                                 
CONECT   50   31   31                                                 
CONECT   51   53   53                                                 
CONECT   52   53   53                                                 
CONECT   53   32   52   52   43                                       
CONECT   53   51   51                                                 
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   16                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   28                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   40                                                      
CONECT  103   43                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
