COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.794   5.764   0.756  1.00  0.00           C  
HETATM    2  C   UNL     1      10.178   0.955  -1.469  1.00  0.00           C  
HETATM    3  C   UNL     1       5.892  -2.243   0.716  1.00  0.00           C  
HETATM    4  C   UNL     1       4.773  -4.063   2.010  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.380   3.270  -0.082  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.038  -1.897  -1.353  1.00  0.00           O  
HETATM    7  O   UNL     1       4.821   0.797   2.956  1.00  0.00           O  
HETATM    8  O   UNL     1       3.374   1.916   1.252  1.00  0.00           O  
HETATM    9  O   UNL     1       1.020   0.854   1.341  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.382  -0.404  -4.601  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.813   0.359  -3.532  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.094  -0.907  -4.615  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.956   0.622  -2.480  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.237  -0.645  -3.563  1.00  0.00           C  
HETATM   15  C   UNL     1       6.576   1.617  -1.584  1.00  0.00           C  
HETATM   16  C   UNL     1       8.016   0.774   0.144  1.00  0.00           C  
HETATM   17  C   UNL     1       5.495   1.510  -0.731  1.00  0.00           C  
HETATM   18  C   UNL     1       6.931   0.669   0.993  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.773   2.101   1.191  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.491  -0.905   2.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.649  -3.396   0.021  1.00  0.00           C  
HETATM   22  C   UNL     1       0.266   0.407  -1.348  1.00  0.00           C  
HETATM   23  C   UNL     1       3.885  -1.730   2.112  1.00  0.00           C  
HETATM   24  C   UNL     1       2.567  -0.639   0.239  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.109   4.551   1.208  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.221  -0.642   0.286  1.00  0.00           N  
HETATM   27  O   UNL     1       8.906   1.352  -1.985  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.342   0.962   0.541  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.471  -2.326   1.857  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.064  -3.678  -0.013  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.475  -1.239   0.204  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.479   3.348   0.726  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.238  -1.282  -0.325  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.668   0.120  -2.495  1.00  0.00           C  
HETATM   35  C   UNL     1       7.841   1.248  -1.148  1.00  0.00           C  
HETATM   36  C   UNL     1       5.672   1.036   0.556  1.00  0.00           C  
HETATM   37  C   UNL     1       4.547  -2.777   1.214  1.00  0.00           C  
HETATM   38  C   UNL     1       1.160  -0.467   0.815  1.00  0.00           C  
HETATM   39  C   UNL     1       0.125  -0.689  -0.289  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.741  -0.280   0.914  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.522  -1.950  -0.508  1.00  0.00           C  
HETATM   42  N   UNL     1       3.552  -0.545   1.319  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.710  -2.471   0.441  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.899  -1.318  -0.217  1.00  0.00           C  
HETATM   45  S   UNL     1       4.290   0.902   1.642  1.00  0.00           S  
HETATM   46  H   UNL     1      -6.679   5.866  -0.324  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.854   5.696   1.003  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.361   6.633   1.251  1.00  0.00           H  
HETATM   49  H   UNL     1      10.426   1.568  -0.602  1.00  0.00           H  
HETATM   50  H   UNL     1      10.139  -0.094  -1.173  1.00  0.00           H  
HETATM   51  H   UNL     1      10.940   1.088  -2.237  1.00  0.00           H  
HETATM   52  H   UNL     1       6.408  -3.023   0.156  1.00  0.00           H  
HETATM   53  H   UNL     1       5.723  -1.383   0.068  1.00  0.00           H  
HETATM   54  H   UNL     1       6.502  -1.943   1.568  1.00  0.00           H  
HETATM   55  H   UNL     1       5.419  -3.855   2.863  1.00  0.00           H  
HETATM   56  H   UNL     1       3.815  -4.444   2.365  1.00  0.00           H  
HETATM   57  H   UNL     1       5.245  -4.809   1.370  1.00  0.00           H  
HETATM   58  H   UNL     1       1.147   1.554   0.686  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.052  -0.613  -5.421  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.819   0.753  -3.521  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.757  -1.504  -5.450  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.293   1.219  -1.645  1.00  0.00           H  
HETATM   63  H   UNL     1       0.769  -1.037  -3.575  1.00  0.00           H  
HETATM   64  H   UNL     1       6.437   1.982  -2.590  1.00  0.00           H  
HETATM   65  H   UNL     1       8.999   0.487   0.486  1.00  0.00           H  
HETATM   66  H   UNL     1       4.510   1.797  -1.069  1.00  0.00           H  
HETATM   67  H   UNL     1       7.067   0.299   1.998  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.889   1.999   2.270  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.714   2.169   0.944  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.518  -0.541   2.147  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.974  -0.679   3.043  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.273  -3.460   1.042  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.108  -4.086  -0.627  1.00  0.00           H  
HETATM   74  H   UNL     1       1.293   0.430  -1.713  1.00  0.00           H  
HETATM   75  H   UNL     1       0.015   1.372  -0.907  1.00  0.00           H  
HETATM   76  H   UNL     1       2.974  -2.146   2.543  1.00  0.00           H  
HETATM   77  H   UNL     1       4.571  -1.451   2.912  1.00  0.00           H  
HETATM   78  H   UNL     1       2.646  -1.615  -0.241  1.00  0.00           H  
HETATM   79  H   UNL     1       2.757   0.143  -0.496  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.388   4.614   1.854  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.381  -0.151   1.107  1.00  0.00           H  
HETATM   82  H   UNL     1       3.901  -2.986   0.362  1.00  0.00           H  
HETATM   83  H   UNL     1       1.003  -1.194   1.612  1.00  0.00           H  
HETATM   84  H   UNL     1       0.289  -1.663  -0.751  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.688  -0.136   1.158  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.320  -1.952  -1.579  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.771  -2.446   0.192  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.372  -0.904  -1.108  1.00  0.00           H  
CONECT    1   25   46   47   48                                       
CONECT    2   27   49   50   51                                       
CONECT    3   37   52   53   54                                       
CONECT    4   37   55   56   57                                       
CONECT    5   32   32                                                 
CONECT    6   33   33                                                 
CONECT    7   45   45                                                 
CONECT    8   45   45                                                 
CONECT    9   38   58                                                 
CONECT   10   11   11   12   59                                       
CONECT   11   10   10   13   60                                       
CONECT   12   10   14   14   61                                       
CONECT   13   11   34   34   62                                       
CONECT   14   12   12   34   63                                       
CONECT   15   17   17   35   64                                       
CONECT   16   18   35   35   65                                       
CONECT   17   15   15   36   66                                       
CONECT   18   16   36   36   67                                       
CONECT   19   28   32   68   69                                       
CONECT   20   29   40   70   71                                       
CONECT   21   30   41   72   73                                       
CONECT   22   34   39   74   75                                       
CONECT   23   37   42   76   77                                       
CONECT   24   38   42   78   79                                       
CONECT   25    1   32   80                                            
CONECT   26   33   39   81                                            
CONECT   27    2   35                                                 
CONECT   28   19   40                                                 
CONECT   29   20   43                                                 
CONECT   30   21   43                                                 
CONECT   31   33   41                                                 
CONECT   32    5    5   19   25                                       
CONECT   33    6    6   26   31                                       
CONECT   34   13   13   14   22                                       
CONECT   35   15   16   16   27                                       
CONECT   36   17   18   18   45                                       
CONECT   37    3    4   23   82                                       
CONECT   38    9   24   39   83                                       
CONECT   39   22   26   38   84                                       
CONECT   40   20   28   44   85                                       
CONECT   41   21   31   44   86                                       
CONECT   42   23   24   45                                            
CONECT   43   29   30   44   87                                       
CONECT   44   40   41   43   88                                       
CONECT   45    7    7    8    8                                       
CONECT   45   36   42                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
