COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.034   1.504   1.526  1.00  0.00           O  
HETATM    2  C   UNL     1       6.187   0.794   0.551  1.00  0.00           C  
HETATM    3  O   UNL     1       7.390   0.245   0.300  1.00  0.00           O  
HETATM    4  C   UNL     1       8.460   0.544   1.235  1.00  0.00           C  
HETATM    5  C   UNL     1       9.722  -0.151   0.795  1.00  0.00           C  
HETATM    6  C   UNL     1      10.602   0.488  -0.058  1.00  0.00           C  
HETATM    7  C   UNL     1      11.759  -0.150  -0.462  1.00  0.00           C  
HETATM    8  C   UNL     1      12.037  -1.428  -0.013  1.00  0.00           C  
HETATM    9  C   UNL     1      11.157  -2.067   0.840  1.00  0.00           C  
HETATM   10  C   UNL     1      10.002  -1.427   1.249  1.00  0.00           C  
HETATM   11  N   UNL     1       5.150   0.551  -0.275  1.00  0.00           N  
HETATM   12  C   UNL     1       3.814   1.052   0.060  1.00  0.00           C  
HETATM   13  C   UNL     1       2.772   0.141  -0.536  1.00  0.00           C  
HETATM   14  O   UNL     1       3.035  -0.520  -1.518  1.00  0.00           O  
HETATM   15  C   UNL     1       3.642   2.463  -0.507  1.00  0.00           C  
HETATM   16  C   UNL     1       2.295   3.032  -0.056  1.00  0.00           C  
HETATM   17  C   UNL     1       2.309   3.237   1.460  1.00  0.00           C  
HETATM   18  C   UNL     1       2.051   4.374  -0.750  1.00  0.00           C  
HETATM   19  N   UNL     1       1.548   0.061   0.022  1.00  0.00           N  
HETATM   20  C   UNL     1       0.571  -0.902  -0.491  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.822  -0.378  -0.255  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.016   0.471   0.589  1.00  0.00           O  
HETATM   23  C   UNL     1       0.742  -2.239   0.235  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.239  -3.261  -0.342  1.00  0.00           C  
HETATM   25  C   UNL     1       0.132  -3.559  -1.796  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.170  -4.552   0.477  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.853  -0.853  -0.983  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.193  -0.286  -0.810  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.308   1.007  -1.619  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.628   1.704  -1.282  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.630   2.104   0.195  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.780   2.955  -2.149  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.238  -1.290  -1.302  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.165  -1.395  -2.725  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.613  -0.820  -0.903  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.449  -0.599  -1.754  1.00  0.00           O  
HETATM   37  N   UNL     1      -5.914  -0.645   0.399  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.218  -0.306   0.776  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.999   0.487  -0.055  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.286   0.820   0.320  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.797   0.364   1.522  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.201   0.729   1.929  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.022  -0.426   2.351  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.736  -0.767   1.979  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.895  -1.633   2.880  1.00  0.00           C  
HETATM   46  H   UNL     1       8.628   1.621   1.262  1.00  0.00           H  
HETATM   47  H   UNL     1       8.181   0.196   2.230  1.00  0.00           H  
HETATM   48  H   UNL     1      10.384   1.486  -0.410  1.00  0.00           H  
HETATM   49  H   UNL     1      12.447   0.349  -1.129  1.00  0.00           H  
HETATM   50  H   UNL     1      12.941  -1.927  -0.329  1.00  0.00           H  
HETATM   51  H   UNL     1      11.374  -3.065   1.191  1.00  0.00           H  
HETATM   52  H   UNL     1       9.317  -1.924   1.919  1.00  0.00           H  
HETATM   53  H   UNL     1       5.288   0.045  -1.091  1.00  0.00           H  
HETATM   54  H   UNL     1       3.697   1.079   1.143  1.00  0.00           H  
HETATM   55  H   UNL     1       4.446   3.101  -0.142  1.00  0.00           H  
HETATM   56  H   UNL     1       3.674   2.424  -1.596  1.00  0.00           H  
HETATM   57  H   UNL     1       1.499   2.336  -0.322  1.00  0.00           H  
HETATM   58  H   UNL     1       3.055   3.988   1.718  1.00  0.00           H  
HETATM   59  H   UNL     1       1.326   3.572   1.790  1.00  0.00           H  
HETATM   60  H   UNL     1       2.556   2.295   1.951  1.00  0.00           H  
HETATM   61  H   UNL     1       2.042   4.229  -1.830  1.00  0.00           H  
HETATM   62  H   UNL     1       1.092   4.780  -0.429  1.00  0.00           H  
HETATM   63  H   UNL     1       2.847   5.070  -0.484  1.00  0.00           H  
HETATM   64  H   UNL     1       1.315   0.641   0.764  1.00  0.00           H  
HETATM   65  H   UNL     1       0.729  -1.046  -1.559  1.00  0.00           H  
HETATM   66  H   UNL     1       1.762  -2.597   0.100  1.00  0.00           H  
HETATM   67  H   UNL     1       0.542  -2.103   1.298  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.251  -2.859  -0.300  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.599  -4.246  -2.224  1.00  0.00           H  
HETATM   70  H   UNL     1       0.136  -2.631  -2.368  1.00  0.00           H  
HETATM   71  H   UNL     1       1.122  -4.013  -1.833  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.433  -4.340   1.513  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.868  -5.281   0.066  1.00  0.00           H  
HETATM   74  H   UNL     1       0.842  -4.955   0.435  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.707  -1.569  -1.620  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.364  -0.072   0.244  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.476   1.666  -1.372  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.283   0.773  -2.684  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.458   1.025  -1.475  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.847   2.842   0.373  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.598   2.532   0.454  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.445   1.223   0.810  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.778   2.671  -3.201  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.720   3.452  -1.908  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.950   3.635  -1.955  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.043  -2.265  -0.855  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.328  -0.563  -3.190  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.227  -0.753   1.074  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.600   0.844  -0.993  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.894   1.436  -0.325  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.895  -0.025   1.556  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.264   0.776   3.016  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.460   1.701   1.508  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.424  -0.780   3.289  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.336  -1.003   3.572  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.541  -2.307   3.443  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.199  -2.217   2.277  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   11    1    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   46   47                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   48                                       
CONECT    7    6    6    8   49                                       
CONECT    8    9    9    7   50                                       
CONECT    9   10    8    8   51                                       
CONECT   10    5    5    9   52                                       
CONECT   11   12    2   53                                            
CONECT   12   13   15   11   54                                       
CONECT   13   19   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   12   55   56                                       
CONECT   16   17   15   18   57                                       
CONECT   17   16   58   59   60                                       
CONECT   18   16   61   62   63                                       
CONECT   19   20   13   64                                            
CONECT   20   21   23   19   65                                       
CONECT   21   27   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   66   67                                       
CONECT   24   26   23   25   68                                       
CONECT   25   24   69   70   71                                       
CONECT   26   24   72   73   74                                       
CONECT   27   28   21   75                                            
CONECT   28   29   33   27   76                                       
CONECT   29   30   28   77   78                                       
CONECT   30   32   29   31   79                                       
CONECT   31   30   80   81   82                                       
CONECT   32   30   83   84   85                                       
CONECT   33   35   28   34   86                                       
CONECT   34   33   87                                                 
CONECT   35   36   36   33   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   88                                            
CONECT   38   39   37   44   44                                       
CONECT   39   40   40   38   89                                       
CONECT   40   39   39   41   90                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   91   92   93                                       
CONECT   43   41   41   44   94                                       
CONECT   44   38   38   43   45                                       
CONECT   45   44   95   96   97                                       
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
