COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.852   4.801  -0.853  1.00  0.00           C  
HETATM    2  C   UNL     1       8.206   0.485  -0.337  1.00  0.00           C  
HETATM    3  C   UNL     1       6.930   0.041   0.393  1.00  0.00           C  
HETATM    4  C   UNL     1       6.385   1.224   1.194  1.00  0.00           C  
HETATM    5  C   UNL     1       5.108   1.747   0.563  1.00  0.00           C  
HETATM    6  C   UNL     1       3.982   1.665   1.236  1.00  0.00           C  
HETATM    7  C   UNL     1       2.641   2.068   0.839  1.00  0.00           C  
HETATM    8  C   UNL     1       2.117   1.940  -0.362  1.00  0.00           C  
HETATM    9  C   UNL     1       0.718   2.414  -0.664  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.317   1.415  -0.157  1.00  0.00           C  
HETATM   11  C   UNL     1       0.708  -0.702  -0.108  1.00  0.00           C  
HETATM   12  C   UNL     1       1.990  -1.100  -0.729  1.00  0.00           C  
HETATM   13  C   UNL     1       2.924  -1.629   0.071  1.00  0.00           C  
HETATM   14  C   UNL     1       4.315  -1.962  -0.250  1.00  0.00           C  
HETATM   15  C   UNL     1       5.087  -2.171   0.814  1.00  0.00           C  
HETATM   16  C   UNL     1       6.546  -2.398   0.959  1.00  0.00           C  
HETATM   17  C   UNL     1       7.280  -1.110   1.332  1.00  0.00           C  
HETATM   18  C   UNL     1       7.230  -3.106  -0.197  1.00  0.00           C  
HETATM   19  C   UNL     1       4.792  -2.011  -1.667  1.00  0.00           C  
HETATM   20  C   UNL     1       1.336  -1.607  -2.954  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.721   1.927  -0.486  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.906   1.968  -2.004  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.763   0.991   0.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.166   1.503  -0.199  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.343   2.910   0.374  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.208   0.567   0.416  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.609   1.007  -0.016  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.642   0.030   0.554  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.305  -1.387   0.079  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.877  -1.734   0.508  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.512  -3.125  -0.015  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.545  -3.120  -1.545  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.108  -3.497   0.464  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.285  -2.382   0.704  1.00  0.00           C  
HETATM   35  C   UNL     1       5.199   2.375  -0.804  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.127   0.132  -0.766  1.00  0.00           O  
HETATM   37  O   UNL     1       0.411  -1.122   0.992  1.00  0.00           O  
HETATM   38  O   UNL     1       8.693  -1.342   1.288  1.00  0.00           O  
HETATM   39  O   UNL     1       2.143  -0.848  -2.051  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.971  -0.770  -0.031  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.946   0.391   0.095  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.111   0.617   1.841  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.590   0.952   1.548  1.00  0.00           O  
HETATM   44  O   UNL     1       0.503   3.681  -0.037  1.00  0.00           O  
HETATM   45  H   UNL     1       1.910   4.746  -1.113  1.00  0.00           H  
HETATM   46  H   UNL     1       0.253   4.787  -1.764  1.00  0.00           H  
HETATM   47  H   UNL     1       0.660   5.723  -0.306  1.00  0.00           H  
HETATM   48  H   UNL     1       8.608  -0.351  -0.909  1.00  0.00           H  
HETATM   49  H   UNL     1       7.971   1.308  -1.012  1.00  0.00           H  
HETATM   50  H   UNL     1       8.946   0.814   0.393  1.00  0.00           H  
HETATM   51  H   UNL     1       6.197  -0.280  -0.337  1.00  0.00           H  
HETATM   52  H   UNL     1       6.174   0.911   2.216  1.00  0.00           H  
HETATM   53  H   UNL     1       7.128   2.024   1.203  1.00  0.00           H  
HETATM   54  H   UNL     1       4.080   1.229   2.251  1.00  0.00           H  
HETATM   55  H   UNL     1       2.006   2.526   1.613  1.00  0.00           H  
HETATM   56  H   UNL     1       2.689   1.475  -1.159  1.00  0.00           H  
HETATM   57  H   UNL     1       0.607   2.524  -1.744  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.227   1.314   0.925  1.00  0.00           H  
HETATM   59  H   UNL     1       2.622  -1.811   1.116  1.00  0.00           H  
HETATM   60  H   UNL     1       4.520  -2.128   1.772  1.00  0.00           H  
HETATM   61  H   UNL     1       6.673  -3.077   1.844  1.00  0.00           H  
HETATM   62  H   UNL     1       7.010  -0.834   2.357  1.00  0.00           H  
HETATM   63  H   UNL     1       7.106  -2.519  -1.107  1.00  0.00           H  
HETATM   64  H   UNL     1       8.292  -3.217   0.022  1.00  0.00           H  
HETATM   65  H   UNL     1       6.783  -4.091  -0.335  1.00  0.00           H  
HETATM   66  H   UNL     1       3.978  -1.727  -2.334  1.00  0.00           H  
HETATM   67  H   UNL     1       5.624  -1.319  -1.794  1.00  0.00           H  
HETATM   68  H   UNL     1       5.121  -3.023  -1.905  1.00  0.00           H  
HETATM   69  H   UNL     1       1.622  -1.375  -3.980  1.00  0.00           H  
HETATM   70  H   UNL     1       1.484  -2.670  -2.767  1.00  0.00           H  
HETATM   71  H   UNL     1       0.286  -1.354  -2.803  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.847   2.930  -0.077  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.906   2.333  -2.239  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.164   2.635  -2.443  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.780   0.966  -2.413  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.637  -0.012  -0.279  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.298   1.532  -1.281  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.212   2.881   1.456  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.601   3.577  -0.064  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.343   3.275   0.140  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.809   2.010   0.362  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.671   1.009  -1.105  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.616   0.067   1.643  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.381  -1.434  -1.007  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.812  -1.726   1.596  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.230  -3.855   0.361  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.285  -4.110  -1.917  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.545  -2.854  -1.886  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.827  -2.390  -1.921  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.401  -2.728   0.152  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.103  -3.575   1.551  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.818  -4.454   0.030  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.307  -2.061   0.502  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.122  -3.370   0.274  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.124  -2.423   1.781  1.00  0.00           H  
HETATM   96  H   UNL     1       5.058   1.609  -1.566  1.00  0.00           H  
HETATM   97  H   UNL     1       4.425   3.136  -0.907  1.00  0.00           H  
HETATM   98  H   UNL     1       6.179   2.835  -0.928  1.00  0.00           H  
HETATM   99  H   UNL     1       8.992  -2.061   1.861  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.222   1.281   0.355  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.744   0.047   2.299  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.688   1.812   1.979  1.00  0.00           H  
CONECT    1   44   45   46   47                                       
CONECT    2    3   48   49   50                                       
CONECT    3    4    2   17   51                                       
CONECT    4    3    5   52   53                                       
CONECT    5    4   35    6    6                                       
CONECT    6    5    5    7   54                                       
CONECT    7    6    8    8   55                                       
CONECT    8    7    7    9   56                                       
CONECT    9    8   44   10   57                                       
CONECT   10    9   21   36   58                                       
CONECT   11   12   36   37   37                                       
CONECT   12   13   13   39   11                                       
CONECT   13   14   12   12   59                                       
CONECT   14   15   15   19   13                                       
CONECT   15   16   14   14   60                                       
CONECT   16   17   18   15   61                                       
CONECT   17    3   38   16   62                                       
CONECT   18   16   63   64   65                                       
CONECT   19   14   66   67   68                                       
CONECT   20   39   69   70   71                                       
CONECT   21   10   22   23   72                                       
CONECT   22   21   73   74   75                                       
CONECT   23   43   21   24   76                                       
CONECT   24   23   26   25   77                                       
CONECT   25   24   78   79   80                                       
CONECT   26   40   42   24   27                                       
CONECT   27   28   26   81   82                                       
CONECT   28   29   41   27   83                                       
CONECT   29   34   30   28   84                                       
CONECT   30   31   40   29   85                                       
CONECT   31   33   32   30   86                                       
CONECT   32   31   87   88   89                                       
CONECT   33   31   90   91   92                                       
CONECT   34   29   93   94   95                                       
CONECT   35    5   96   97   98                                       
CONECT   36   10   11                                                 
CONECT   37   11   11                                                 
CONECT   38   17   99                                                 
CONECT   39   12   20                                                 
CONECT   40   30   26                                                 
CONECT   41   28  100                                                 
CONECT   42   26  101                                                 
CONECT   43   23  102                                                 
CONECT   44    1    9                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   38                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
