COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.168   0.238  -1.326  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.887   5.590  -0.236  1.00  0.00           C  
HETATM    3  C   UNL     1       0.386   7.018   1.126  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.196   6.551   3.357  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.119   1.700  -1.338  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.416   1.647  -0.866  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.145   0.472  -0.976  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.276  -0.585  -2.040  1.00  0.00           C  
HETATM    9  C   UNL     1       5.182   2.932   0.222  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.112  -0.825  -0.659  1.00  0.00           C  
HETATM   11  C   UNL     1       6.091  -3.751   1.680  1.00  0.00           C  
HETATM   12  C   UNL     1       4.749  -3.924   1.349  1.00  0.00           C  
HETATM   13  C   UNL     1       4.213  -3.245   0.268  1.00  0.00           C  
HETATM   14  C   UNL     1       5.009  -2.398  -0.481  1.00  0.00           C  
HETATM   15  C   UNL     1       6.340  -2.226  -0.153  1.00  0.00           C  
HETATM   16  C   UNL     1       6.882  -2.900   0.926  1.00  0.00           C  
HETATM   17  C   UNL     1       4.331   1.099  -1.246  1.00  0.00           C  
HETATM   18  C   UNL     1       2.222  -0.229  -0.767  1.00  0.00           C  
HETATM   19  C   UNL     1       1.256   0.179  -1.881  1.00  0.00           C  
HETATM   20  C   UNL     1       0.080   2.511  -0.484  1.00  0.00           C  
HETATM   21  C   UNL     1       0.369   4.786   0.179  1.00  0.00           C  
HETATM   22  C   UNL     1       0.832   5.563   1.436  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.079   5.186   2.632  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.134   0.646  -2.440  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.549   0.585  -1.925  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.569  -0.647  -1.560  1.00  0.00           C  
HETATM   27  C   UNL     1       4.536   1.545   0.203  1.00  0.00           C  
HETATM   28  C   UNL     1       5.449   0.547   0.919  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.073  -4.523   1.289  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.104  -3.050   1.205  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.961  -5.688   0.848  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.661  -3.058   0.698  1.00  0.00           C  
HETATM   33  C   UNL     1       5.097  -4.848   3.352  1.00  0.00           C  
HETATM   34  N   UNL     1       3.598  -0.169  -1.268  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.229   1.222  -0.242  1.00  0.00           N  
HETATM   36  O   UNL     1       5.424  -1.098  -2.644  1.00  0.00           O  
HETATM   37  O   UNL     1       3.282  -2.356  -2.366  1.00  0.00           O  
HETATM   38  O   UNL     1       1.316  -0.780  -2.939  1.00  0.00           O  
HETATM   39  O   UNL     1       0.408   2.858  -1.601  1.00  0.00           O  
HETATM   40  O   UNL     1       0.024   3.415   0.512  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.566   6.958   0.058  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.257   7.524   2.303  1.00  0.00           O  
HETATM   43  O   UNL     1       4.191  -4.802   2.233  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.421   0.417  -0.512  1.00  0.00           O  
HETATM   45  O   UNL     1       6.372  -4.516   2.775  1.00  0.00           O  
HETATM   46  O   UNL     1      -7.264  -3.417   0.404  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.909  -2.249   0.337  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.710  -1.486   1.932  1.00  0.00           O  
HETATM   49  P   UNL     1      -6.485  -2.018   0.570  1.00  0.00           P  
HETATM   50  S   UNL     1       4.324  -1.536  -1.857  1.00  0.00           S  
HETATM   51  H   UNL     1      -0.449  -0.743  -0.942  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.080   5.467  -1.302  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.751   5.270   0.346  1.00  0.00           H  
HETATM   54  H   UNL     1       1.243   7.636   0.859  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.111   6.587   3.949  1.00  0.00           H  
HETATM   56  H   UNL     1       0.673   6.717   3.994  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.551   2.615  -1.253  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.862   2.519  -0.412  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.827  -1.456  -2.496  1.00  0.00           H  
HETATM   60  H   UNL     1       4.532   3.643  -0.288  1.00  0.00           H  
HETATM   61  H   UNL     1       5.329   3.250   1.255  1.00  0.00           H  
HETATM   62  H   UNL     1       6.146   2.891  -0.285  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.179  -0.669  -0.502  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.946  -1.217  -1.663  1.00  0.00           H  
HETATM   65  H   UNL     1       3.172  -3.378   0.009  1.00  0.00           H  
HETATM   66  H   UNL     1       6.959  -1.564  -0.740  1.00  0.00           H  
HETATM   67  H   UNL     1       7.923  -2.764   1.181  1.00  0.00           H  
HETATM   68  H   UNL     1       3.761   1.857  -1.783  1.00  0.00           H  
HETATM   69  H   UNL     1       5.300   0.966  -1.727  1.00  0.00           H  
HETATM   70  H   UNL     1       2.113   0.453   0.076  1.00  0.00           H  
HETATM   71  H   UNL     1       1.996  -1.245  -0.445  1.00  0.00           H  
HETATM   72  H   UNL     1       1.537   1.160  -2.265  1.00  0.00           H  
HETATM   73  H   UNL     1       1.129   4.817  -0.602  1.00  0.00           H  
HETATM   74  H   UNL     1       1.900   5.460   1.633  1.00  0.00           H  
HETATM   75  H   UNL     1       0.399   4.443   3.270  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.053   4.839   2.289  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.908   1.663  -2.762  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.024  -0.035  -3.283  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.136  -1.561  -1.651  1.00  0.00           H  
HETATM   80  H   UNL     1       3.573   1.586   0.710  1.00  0.00           H  
HETATM   81  H   UNL     1       5.674   0.915   1.920  1.00  0.00           H  
HETATM   82  H   UNL     1       4.946  -0.418   0.991  1.00  0.00           H  
HETATM   83  H   UNL     1       6.375   0.433   0.356  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.339  -4.227   2.304  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.028  -4.833   1.264  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.490  -4.069   1.220  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.133  -2.636   2.213  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.695  -5.985  -0.166  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.816  -6.532   1.523  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.006  -5.378   0.874  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.046  -3.669   1.359  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.632  -3.473  -0.310  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.275  -2.039   0.683  1.00  0.00           H  
HETATM   94  H   UNL     1       4.811  -4.109   4.100  1.00  0.00           H  
HETATM   95  H   UNL     1       5.122  -5.847   3.788  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.491   0.945   0.650  1.00  0.00           H  
HETATM   97  H   UNL     1       1.077  -1.678  -2.669  1.00  0.00           H  
CONECT    1   19   24   35   51                                       
CONECT    2   41   21   52   53                                       
CONECT    3   41   42   22   54                                       
CONECT    4   42   23   55   56                                       
CONECT    5   25   25    6   57                                       
CONECT    6    5    7    7   58                                       
CONECT    7    6    6   26   44                                       
CONECT    8   25   26   26   59                                       
CONECT    9   27   60   61   62                                       
CONECT   10   44   49   63   64                                       
CONECT   11   45   16   16   12                                       
CONECT   12   11   43   13   13                                       
CONECT   13   12   12   14   65                                       
CONECT   14   15   15   13   50                                       
CONECT   15   16   14   14   66                                       
CONECT   16   11   11   15   67                                       
CONECT   17   27   34   68   69                                       
CONECT   18   19   34   70   71                                       
CONECT   19   38   18    1   72                                       
CONECT   20   35   40   39   39                                       
CONECT   21   40    2   22   73                                       
CONECT   22   21    3   23   74                                       
CONECT   23    4   22   75   76                                       
CONECT   24    1   25   77   78                                       
CONECT   25   24    5    5    8                                       
CONECT   26    8    8    7   79                                       
CONECT   27    9   17   28   80                                       
CONECT   28   27   81   82   83                                       
CONECT   29   31   46   84   85                                       
CONECT   30   47   32   86   87                                       
CONECT   31   29   88   89   90                                       
CONECT   32   30   91   92   93                                       
CONECT   33   45   43   94   95                                       
CONECT   34   17   18   50                                            
CONECT   35    1   20   96                                            
CONECT   36   50   50                                                 
CONECT   37   50   50                                                 
CONECT   38   19   97                                                 
CONECT   39   20   20                                                 
CONECT   40   20   21                                                 
CONECT   41    2    3                                                 
CONECT   42    4    3                                                 
CONECT   43   33   12                                                 
CONECT   44    7   10                                                 
CONECT   45   33   11                                                 
CONECT   46   29   49                                                 
CONECT   47   49   30                                                 
CONECT   48   49   49                                                 
CONECT   49   10   46   48   48                                       
CONECT   49   47                                                      
CONECT   50   14   34   37   37                                       
CONECT   50   36   36                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   35                                                      
CONECT   97   38                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
