COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       7.576  -6.146   0.179  1.00  0.00           C  
HETATM    2  C   UNK A   1       6.706  -7.372  -0.105  1.00  0.00           C  
HETATM    3  C   UNK A   1       4.551  -8.024  -0.925  1.00  0.00           C  
HETATM    4  C   UNK A   1       7.559  -4.214   1.664  1.00  0.00           C  
HETATM    5  C   UNK A   1       6.930  -3.394   2.760  1.00  0.00           C  
HETATM    6  C   UNK A   1       9.043   1.732   3.149  1.00  0.00           C  
HETATM    7  C   UNK A   1       8.975   2.513   1.835  1.00  0.00           C  
HETATM    8  C   UNK A   1       7.328   3.782   0.563  1.00  0.00           C  
HETATM    9  C   UNK A   1       5.871   5.119  -0.933  1.00  0.00           C  
HETATM   10  C   UNK A   0      -1.151   2.931  -0.843  1.00  0.00           C  
HETATM   11  C   UNK A   0      -0.158   4.084  -0.681  1.00  0.00           C  
HETATM   12  C   UNK A   0       1.235   3.621  -1.112  1.00  0.00           C  
HETATM   13  C   UNK A   0      -2.545   3.394  -0.412  1.00  0.00           C  
HETATM   14  C   UNK A   0      -3.538   2.242  -0.575  1.00  0.00           C  
HETATM   15  C   UNK A   0      -4.931   2.704  -0.144  1.00  0.00           C  
HETATM   16  O   UNK A   1       3.682   6.280  -3.260  1.00  0.00           O  
HETATM   17  C   UNK A   0     -14.476  -0.055   0.930  1.00  0.00           C  
HETATM   18  C   UNK A   0     -13.083  -0.518   0.500  1.00  0.00           C  
HETATM   19  C   UNK A   0     -12.090   0.635   0.662  1.00  0.00           C  
HETATM   20  C   UNK A   0      -9.703   1.325   0.393  1.00  0.00           C  
HETATM   21  C   UNK A   0      -8.310   0.862  -0.038  1.00  0.00           C  
HETATM   22  C   UNK A   0     -16.862  -0.745   1.199  1.00  0.00           C  
HETATM   23  C   UNK A   0     -15.469  -1.207   0.768  1.00  0.00           C  
HETATM   24  N   UNK A   1       3.510   4.579  -1.273  1.00  0.00           N  
HETATM   25  C   UNK A   0      -7.317   2.015   0.125  1.00  0.00           C  
HETATM   26  O   UNK A   0     -17.462  -2.949   0.623  1.00  0.00           O  
HETATM   27  C   UNK A   0      -5.924   1.552  -0.306  1.00  0.00           C  
HETATM   28  C   UNK A   0       2.213   4.757  -0.952  1.00  0.00           C  
HETATM   29  C   UNK A   1       4.461   5.682  -1.118  1.00  0.00           C  
HETATM   30  C   UNK A   1       5.939   4.337   0.381  1.00  0.00           C  
HETATM   31  C   UNK A   1       8.177  -0.212   4.251  1.00  0.00           C  
HETATM   32  C   UNK A   1       7.232  -1.399   4.054  1.00  0.00           C  
HETATM   33  C   UNK A   0     -10.696   0.172   0.231  1.00  0.00           C  
HETATM   34  C   UNK A   1       3.239  -7.459  -1.473  1.00  0.00           C  
HETATM   35  C   UNK A   1       2.317  -6.245  -3.323  1.00  0.00           C  
HETATM   36  C   UNK A   1       2.690  -5.592  -4.628  1.00  0.00           C  
HETATM   37  C   UNK A   1       4.425   6.553  -2.347  1.00  0.00           C  
HETATM   38  C   UNK A   0     -17.840  -1.880   1.039  1.00  0.00           C  
HETATM   39  N   UNK A   1       7.625   3.053   1.658  1.00  0.00           N  
HETATM   40  N   UNK A   1       6.964  -5.348   1.245  1.00  0.00           N  
HETATM   41  O   UNK A   0     -19.132  -1.703   1.359  1.00  0.00           O  
HETATM   42  O   UNK A   1       5.220   7.632  -2.429  1.00  0.00           O  
HETATM   43  O   UNK A   0       1.833   5.830  -0.535  1.00  0.00           O  
HETATM   44  O   UNK A   1       8.180   3.990  -0.275  1.00  0.00           O  
HETATM   45  O   UNK A   1       8.187   0.590   3.069  1.00  0.00           O  
HETATM   46  O   UNK A   1       7.742  -2.249   3.025  1.00  0.00           O  
HETATM   47  O   UNK A   1       8.601  -3.853   1.159  1.00  0.00           O  
HETATM   48  O   UNK A   1       5.444  -6.950  -0.625  1.00  0.00           O  
HETATM   49  O   UNK A   1       3.484  -6.811  -2.723  1.00  0.00           O  
HETATM   50  O   UNK A   1       2.121  -5.907  -5.646  1.00  0.00           O  
HETATM   51  H   UNK A   1       8.569  -6.469   0.491  1.00  0.00           H  
HETATM   52  H   UNK A   1       7.659  -5.542  -0.725  1.00  0.00           H  
HETATM   53  H   UNK A   1       7.205  -8.011  -0.834  1.00  0.00           H  
HETATM   54  H   UNK A   1       6.550  -7.928   0.820  1.00  0.00           H  
HETATM   55  H   UNK A   1       4.350  -8.594  -0.018  1.00  0.00           H  
HETATM   56  H   UNK A   1       5.004  -8.677  -1.671  1.00  0.00           H  
HETATM   57  H   UNK A   1       5.937  -3.070   2.447  1.00  0.00           H  
HETATM   58  H   UNK A   1       6.847  -3.998   3.664  1.00  0.00           H  
HETATM   59  H   UNK A   1      10.068   1.405   3.324  1.00  0.00           H  
HETATM   60  H   UNK A   1       8.720   2.372   3.969  1.00  0.00           H  
HETATM   61  H   UNK A   1       9.693   3.332   1.862  1.00  0.00           H  
HETATM   62  H   UNK A   1       9.212   1.849   1.004  1.00  0.00           H  
HETATM   63  H   UNK A   1       6.108   4.454  -1.763  1.00  0.00           H  
HETATM   64  H   UNK A   1       6.589   5.938  -0.906  1.00  0.00           H  
HETATM   65  H   UNK A   0      -1.179   2.620  -1.888  1.00  0.00           H  
HETATM   66  H   UNK A   0      -0.839   2.092  -0.222  1.00  0.00           H  
HETATM   67  H   UNK A   0      -0.471   4.923  -1.303  1.00  0.00           H  
HETATM   68  H   UNK A   0      -0.131   4.396   0.363  1.00  0.00           H  
HETATM   69  H   UNK A   0       1.548   2.782  -0.491  1.00  0.00           H  
HETATM   70  H   UNK A   0       1.207   3.310  -2.156  1.00  0.00           H  
HETATM   71  H   UNK A   0      -2.517   3.706   0.632  1.00  0.00           H  
HETATM   72  H   UNK A   0      -2.857   4.233  -1.034  1.00  0.00           H  
HETATM   73  H   UNK A   0      -3.565   1.930  -1.619  1.00  0.00           H  
HETATM   74  H   UNK A   0      -3.225   1.403   0.047  1.00  0.00           H  
HETATM   75  H   UNK A   0      -4.903   3.016   0.900  1.00  0.00           H  
HETATM   76  H   UNK A   0      -5.243   3.543  -0.765  1.00  0.00           H  
HETATM   77  H   UNK A   0     -14.449   0.257   1.975  1.00  0.00           H  
HETATM   78  H   UNK A   0     -14.789   0.784   0.309  1.00  0.00           H  
HETATM   79  H   UNK A   0     -12.770  -1.357   1.121  1.00  0.00           H  
HETATM   80  H   UNK A   0     -13.110  -0.829  -0.545  1.00  0.00           H  
HETATM   81  H   UNK A   0     -12.402   1.474   0.040  1.00  0.00           H  
HETATM   82  H   UNK A   0     -12.062   0.947   1.706  1.00  0.00           H  
HETATM   83  H   UNK A   0      -9.676   1.636   1.437  1.00  0.00           H  
HETATM   84  H   UNK A   0     -10.016   2.164  -0.228  1.00  0.00           H  
HETATM   85  H   UNK A   0      -7.998   0.023   0.584  1.00  0.00           H  
HETATM   86  H   UNK A   0      -8.338   0.550  -1.082  1.00  0.00           H  
HETATM   87  H   UNK A   0     -16.835  -0.433   2.243  1.00  0.00           H  
HETATM   88  H   UNK A   0     -17.175   0.094   0.578  1.00  0.00           H  
HETATM   89  H   UNK A   0     -15.497  -1.519  -0.276  1.00  0.00           H  
HETATM   90  H   UNK A   0     -15.156  -2.047   1.390  1.00  0.00           H  
HETATM   91  H   UNK A   1       3.814   3.720  -1.607  1.00  0.00           H  
HETATM   92  H   UNK A   0      -7.630   2.854  -0.497  1.00  0.00           H  
HETATM   93  H   UNK A   0      -7.290   2.326   1.169  1.00  0.00           H  
HETATM   94  H   UNK A   0      -5.951   1.240  -1.350  1.00  0.00           H  
HETATM   95  H   UNK A   0      -5.611   0.713   0.315  1.00  0.00           H  
HETATM   96  H   UNK A   1       4.189   6.276  -0.244  1.00  0.00           H  
HETATM   97  H   UNK A   1       5.221   3.518   0.354  1.00  0.00           H  
HETATM   98  H   UNK A   1       5.702   5.002   1.212  1.00  0.00           H  
HETATM   99  H   UNK A   1       7.836   0.388   5.095  1.00  0.00           H  
HETATM  100  H   UNK A   1       9.184  -0.579   4.450  1.00  0.00           H  
HETATM  101  H   UNK A   1       7.156  -1.962   4.985  1.00  0.00           H  
HETATM  102  H   UNK A   1       6.246  -1.034   3.769  1.00  0.00           H  
HETATM  103  H   UNK A   0     -10.384  -0.667   0.853  1.00  0.00           H  
HETATM  104  H   UNK A   0     -10.724  -0.140  -0.813  1.00  0.00           H  
HETATM  105  H   UNK A   1       2.526  -8.271  -1.618  1.00  0.00           H  
HETATM  106  H   UNK A   1       2.829  -6.739  -0.764  1.00  0.00           H  
HETATM  107  H   UNK A   1       1.889  -5.500  -2.652  1.00  0.00           H  
HETATM  108  H   UNK A   1       1.585  -7.032  -3.506  1.00  0.00           H  
HETATM  109  H   UNK A   1       3.466  -4.841  -4.654  1.00  0.00           H  
HETATM  110  H   UNK A   1       6.944   2.886   2.328  1.00  0.00           H  
HETATM  111  H   UNK A   1       6.131  -5.637   1.648  1.00  0.00           H  
HETATM  112  H   UNK A   0     -19.722  -2.460   1.239  1.00  0.00           H  
HETATM  113  H   UNK A   1       5.161   8.160  -3.237  1.00  0.00           H  
CONECT    1   40    2   51   52                                       
CONECT    2    1   48   53   54                                       
CONECT    3   48   34   55   56                                       
CONECT    4    5   47   47   40                                       
CONECT    5   46    4   57   58                                       
CONECT    6    7   45   59   60                                       
CONECT    7    6   39   61   62                                       
CONECT    8   39   30   44   44                                       
CONECT    9   30   29   63   64                                       
CONECT   10   13   11   65   66                                       
CONECT   11   10   12   67   68                                       
CONECT   12   11   28   69   70                                       
CONECT   13   14   10   71   72                                       
CONECT   14   15   13   73   74                                       
CONECT   15   27   14   75   76                                       
CONECT   16   37   37                                                 
CONECT   17   23   18   77   78                                       
CONECT   18   17   19   79   80                                       
CONECT   19   18   33   81   82                                       
CONECT   20   33   21   83   84                                       
CONECT   21   20   25   85   86                                       
CONECT   22   38   23   87   88                                       
CONECT   23   22   17   89   90                                       
CONECT   24   28   29   91                                            
CONECT   25   21   27   92   93                                       
CONECT   26   38   38                                                 
CONECT   27   25   15   94   95                                       
CONECT   28   12   43   43   24                                       
CONECT   29   24    9   37   96                                       
CONECT   30    8    9   97   98                                       
CONECT   31   45   32   99  100                                       
CONECT   32   31   46  101  102                                       
CONECT   33   19   20  103  104                                       
CONECT   34    3   49  105  106                                       
CONECT   35   36   49  107  108                                       
CONECT   36   50   50   35  109                                       
CONECT   37   29   42   16   16                                       
CONECT   38   26   26   41   22                                       
CONECT   39    7    8  110                                            
CONECT   40    4    1  111                                            
CONECT   41   38  112                                                 
CONECT   42   37  113                                                 
CONECT   43   28   28                                                 
CONECT   44    8    8                                                 
CONECT   45    6   31                                                 
CONECT   46   32    5                                                 
CONECT   47    4    4                                                 
CONECT   48    2    3                                                 
CONECT   49   34   35                                                 
CONECT   50   36   36                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
