COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.851  -3.524   0.789  1.00  0.00           C  
HETATM    2  O   UNL     1      10.920  -4.591   0.972  1.00  0.00           O  
HETATM    3  C   UNL     1       9.637  -4.000   1.178  1.00  0.00           C  
HETATM    4  C   UNL     1       9.220  -3.224  -0.072  1.00  0.00           C  
HETATM    5  N   UNL     1      10.165  -2.124  -0.304  1.00  0.00           N  
HETATM    6  C   UNL     1      11.491  -2.735  -0.470  1.00  0.00           C  
HETATM    7  C   UNL     1       9.810  -1.529  -1.600  1.00  0.00           C  
HETATM    8  C   UNL     1       8.344  -1.093  -1.575  1.00  0.00           C  
HETATM    9  O   UNL     1       8.174  -0.045  -0.619  1.00  0.00           O  
HETATM   10  C   UNL     1       6.859   0.299  -0.642  1.00  0.00           C  
HETATM   11  C   UNL     1       6.394   1.300   0.189  1.00  0.00           C  
HETATM   12  C   UNL     1       5.042   1.647   0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       4.160   0.981  -0.712  1.00  0.00           C  
HETATM   14  C   UNL     1       4.649  -0.022  -1.540  1.00  0.00           C  
HETATM   15  C   UNL     1       5.984  -0.357  -1.504  1.00  0.00           C  
HETATM   16  C   UNL     1       4.227   2.629   0.874  1.00  0.00           C  
HETATM   17  C   UNL     1       2.962   2.482   0.404  1.00  0.00           C  
HETATM   18  O   UNL     1       2.933   1.511  -0.533  1.00  0.00           O  
HETATM   19  C   UNL     1       1.799   3.267   0.844  1.00  0.00           C  
HETATM   20  O   UNL     1       1.932   4.124   1.698  1.00  0.00           O  
HETATM   21  N   UNL     1       0.587   3.039   0.301  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.571   3.821   0.739  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.629   5.132  -0.048  1.00  0.00           C  
HETATM   24  C   UNL     1       0.592   5.988   0.297  1.00  0.00           C  
HETATM   25  C   UNL     1       0.600   7.241  -0.581  1.00  0.00           C  
HETATM   26  C   UNL     1       0.528   6.397   1.770  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.832   3.033   0.495  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.769   1.926   0.002  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.029   3.557   0.823  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.255   2.790   0.585  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.400   4.012  -1.401  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.514   1.934  -1.539  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.521   1.353  -0.627  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.237   2.201   0.297  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.483   2.317   1.622  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.342   3.258   1.562  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.771   0.029  -0.658  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.597  -0.449   0.091  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.024  -0.857  -1.621  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.486  -2.282  -1.455  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.549  -2.755  -2.203  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.979  -4.061  -2.056  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.348  -4.901  -1.160  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.277  -4.430  -0.404  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.845  -3.114  -0.560  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.595  -5.327   0.561  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.361  -6.658   0.221  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.724  -7.483   1.131  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.341  -6.950   2.354  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.605  -5.620   2.625  1.00  0.00           C  
HETATM   51  N   UNL     1      -5.208  -4.855   1.739  1.00  0.00           N  
HETATM   52  C   UNL     1      -4.696   2.994  -0.823  1.00  0.00           C  
HETATM   53  H   UNL     1      12.856  -3.933   0.686  1.00  0.00           H  
HETATM   54  H   UNL     1      11.817  -2.861   1.654  1.00  0.00           H  
HETATM   55  H   UNL     1       8.906  -4.783   1.379  1.00  0.00           H  
HETATM   56  H   UNL     1       9.683  -3.321   2.029  1.00  0.00           H  
HETATM   57  H   UNL     1       8.218  -2.818   0.071  1.00  0.00           H  
HETATM   58  H   UNL     1       9.222  -3.893  -0.932  1.00  0.00           H  
HETATM   59  H   UNL     1      11.476  -3.408  -1.328  1.00  0.00           H  
HETATM   60  H   UNL     1      12.233  -1.954  -0.634  1.00  0.00           H  
HETATM   61  H   UNL     1       9.957  -2.265  -2.390  1.00  0.00           H  
HETATM   62  H   UNL     1      10.444  -0.662  -1.788  1.00  0.00           H  
HETATM   63  H   UNL     1       7.717  -1.941  -1.300  1.00  0.00           H  
HETATM   64  H   UNL     1       8.055  -0.733  -2.563  1.00  0.00           H  
HETATM   65  H   UNL     1       7.072   1.809   0.858  1.00  0.00           H  
HETATM   66  H   UNL     1       3.981  -0.539  -2.213  1.00  0.00           H  
HETATM   67  H   UNL     1       6.357  -1.138  -2.151  1.00  0.00           H  
HETATM   68  H   UNL     1       4.564   3.328   1.626  1.00  0.00           H  
HETATM   69  H   UNL     1       0.482   2.356  -0.380  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.480   4.040   1.803  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.538   5.673   0.214  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.630   4.915  -1.116  1.00  0.00           H  
HETATM   73  H   UNL     1       1.501   5.413   0.118  1.00  0.00           H  
HETATM   74  H   UNL     1       1.470   7.851  -0.335  1.00  0.00           H  
HETATM   75  H   UNL     1       0.646   6.949  -1.630  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.309   7.816  -0.402  1.00  0.00           H  
HETATM   77  H   UNL     1       0.522   5.504   2.395  1.00  0.00           H  
HETATM   78  H   UNL     1       1.398   7.007   2.015  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.380   6.972   1.948  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.079   4.442   1.216  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.054   1.732   0.749  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.850   1.144  -1.891  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.020   2.385  -2.392  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.224   1.777   0.481  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.350   3.193  -0.140  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.111   1.331   1.900  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.177   2.656   2.392  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.907   3.350   2.557  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.706   4.235   1.246  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.219  -0.529  -2.642  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.955  -0.796  -1.417  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.046  -2.102  -2.905  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.809  -4.425  -2.642  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.684  -5.921  -1.045  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.015  -2.744   0.023  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.673  -7.041  -0.740  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.530  -8.519   0.895  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.843  -7.568   3.086  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.308  -5.202   3.576  1.00  0.00           H  
CONECT    1    2    6   53   54                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   55   56                                       
CONECT    4    3    5   57   58                                       
CONECT    5    4    6    7                                            
CONECT    6    1    5   59   60                                       
CONECT    7    5    8   61   62                                       
CONECT    8    7    9   63   64                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   65                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   15   66                                       
CONECT   15   10   14   14   67                                       
CONECT   16   12   17   17   68                                       
CONECT   17   16   16   18   19                                       
CONECT   18   13   17                                                 
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   69                                            
CONECT   22   21   23   27   70                                       
CONECT   23   22   24   71   72                                       
CONECT   24   23   25   26   73                                       
CONECT   25   24   74   75   76                                       
CONECT   26   24   77   78   79                                       
CONECT   27   22   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   80                                            
CONECT   30   29   36   52   81                                       
CONECT   31   52   52                                                 
CONECT   32   33   52   82   83                                       
CONECT   33   32   34   37                                            
CONECT   34   33   35   84   85                                       
CONECT   35   34   36   86   87                                       
CONECT   36   30   35   88   89                                       
CONECT   37   33   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   90   91                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   92                                       
CONECT   42   41   43   43   93                                       
CONECT   43   42   42   44   94                                       
CONECT   44   43   45   45   46                                       
CONECT   45   40   44   44   95                                       
CONECT   46   44   47   47   51                                       
CONECT   47   46   46   48   96                                       
CONECT   48   47   49   49   97                                       
CONECT   49   48   48   50   98                                       
CONECT   50   49   51   51   99                                       
CONECT   51   46   50   50                                            
CONECT   52   30   31   31   32                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65   11                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   45                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
