COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.645  -0.018   0.530  1.00  0.00           C  
HETATM    2  O   UNL     1       1.957  -1.045  -0.413  1.00  0.00           O  
HETATM    3  C   UNL     1       1.608   1.334  -0.185  1.00  0.00           C  
HETATM    4  N   UNL     1       0.646   1.273  -1.294  1.00  0.00           N  
HETATM    5  C   UNL     1       3.001   1.666  -0.735  1.00  0.00           C  
HETATM    6  O   UNL     1       2.987   2.969  -1.322  1.00  0.00           O  
HETATM    7  C   UNL     1       3.998   1.635   0.423  1.00  0.00           C  
HETATM    8  O   UNL     1       5.327   1.884  -0.034  1.00  0.00           O  
HETATM    9  C   UNL     1       3.956   0.243   1.068  1.00  0.00           C  
HETATM   10  O   UNL     1       2.640   0.000   1.559  1.00  0.00           O  
HETATM   11  C   UNL     1       4.985   0.203   2.199  1.00  0.00           C  
HETATM   12  O   UNL     1       6.264   0.557   1.657  1.00  0.00           O  
HETATM   13  C   UNL     1      10.190   2.482  -0.627  1.00  0.00           C  
HETATM   14  C   UNL     1      10.039   2.268   0.731  1.00  0.00           C  
HETATM   15  C   UNL     1       9.081   2.487  -1.452  1.00  0.00           C  
HETATM   16  C   UNL     1       8.781   2.059   1.262  1.00  0.00           C  
HETATM   17  C   UNL     1       7.822   2.277  -0.921  1.00  0.00           C  
HETATM   18  C   UNL     1       7.672   2.063   0.436  1.00  0.00           C  
HETATM   19  C   UNL     1       6.300   1.833   1.016  1.00  0.00           C  
HETATM   20  C   UNL     1       1.117  -5.193  -0.346  1.00  0.00           C  
HETATM   21  C   UNL     1       2.551  -4.739  -0.067  1.00  0.00           C  
HETATM   22  C   UNL     1       2.750  -3.320  -0.604  1.00  0.00           C  
HETATM   23  C   UNL     1       1.771  -2.370   0.089  1.00  0.00           C  
HETATM   24  C   UNL     1       0.337  -2.824  -0.189  1.00  0.00           C  
HETATM   25  C   UNL     1       0.138  -4.243   0.347  1.00  0.00           C  
HETATM   26  N   UNL     1       0.926  -6.555   0.170  1.00  0.00           N  
HETATM   27  N   UNL     1       4.127  -2.884  -0.337  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.578  -1.938   0.458  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.202  -4.668   0.088  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.980  -0.590  -1.786  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.667  -1.091  -1.456  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.833  -1.806  -0.212  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.798  -0.932   0.619  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.695  -1.753   1.370  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.570  -0.114  -0.439  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.968  -0.403  -0.375  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.874   0.581  -2.764  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.367   0.112  -4.015  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.461   2.730   0.711  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.767   1.771  -0.089  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.702   0.466   0.490  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.120  -0.079   0.677  1.00  0.00           C  
HETATM   43  N   UNL     1      -7.774  -0.207  -0.632  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.919   0.888   1.556  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.320   0.963   2.852  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.910   2.276   0.907  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.567   2.214  -0.361  1.00  0.00           O  
HETATM   48  C   UNL     1      -6.443   4.089   0.009  1.00  0.00           C  
HETATM   49  N   UNL     1      -5.052   4.524  -0.180  1.00  0.00           N  
HETATM   50  H   UNL     1       0.671  -0.219   0.975  1.00  0.00           H  
HETATM   51  H   UNL     1       1.302   2.108   0.518  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.281   1.059  -0.958  1.00  0.00           H  
HETATM   53  H   UNL     1       0.650   2.133  -1.823  1.00  0.00           H  
HETATM   54  H   UNL     1       3.283   0.928  -1.486  1.00  0.00           H  
HETATM   55  H   UNL     1       2.363   3.064  -2.054  1.00  0.00           H  
HETATM   56  H   UNL     1       3.721   2.386   1.162  1.00  0.00           H  
HETATM   57  H   UNL     1       4.210  -0.510   0.322  1.00  0.00           H  
HETATM   58  H   UNL     1       4.706   0.915   2.975  1.00  0.00           H  
HETATM   59  H   UNL     1       5.030  -0.802   2.619  1.00  0.00           H  
HETATM   60  H   UNL     1      11.172   2.650  -1.041  1.00  0.00           H  
HETATM   61  H   UNL     1      10.905   2.264   1.376  1.00  0.00           H  
HETATM   62  H   UNL     1       9.198   2.654  -2.513  1.00  0.00           H  
HETATM   63  H   UNL     1       8.663   1.891   2.323  1.00  0.00           H  
HETATM   64  H   UNL     1       6.956   2.280  -1.566  1.00  0.00           H  
HETATM   65  H   UNL     1       6.084   2.611   1.747  1.00  0.00           H  
HETATM   66  H   UNL     1       0.934  -5.182  -1.420  1.00  0.00           H  
HETATM   67  H   UNL     1       2.734  -4.749   1.007  1.00  0.00           H  
HETATM   68  H   UNL     1       3.249  -5.415  -0.561  1.00  0.00           H  
HETATM   69  H   UNL     1       2.568  -3.309  -1.679  1.00  0.00           H  
HETATM   70  H   UNL     1       1.954  -2.381   1.163  1.00  0.00           H  
HETATM   71  H   UNL     1       0.154  -2.814  -1.264  1.00  0.00           H  
HETATM   72  H   UNL     1       0.320  -4.254   1.422  1.00  0.00           H  
HETATM   73  H   UNL     1       1.562  -7.202  -0.273  1.00  0.00           H  
HETATM   74  H   UNL     1       1.026  -6.579   1.174  1.00  0.00           H  
HETATM   75  H   UNL     1       4.794  -3.552  -0.693  1.00  0.00           H  
HETATM   76  H   UNL     1       4.297  -1.965  -0.720  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.400  -5.560   0.402  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.594  -1.384  -2.211  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.271  -2.788  -0.393  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.239  -0.272   1.283  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.258  -2.332   2.009  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.395   0.953  -0.300  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.860   1.021  -2.914  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.198   1.334  -2.358  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.273   0.802  -4.686  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.973   2.816   1.682  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.203   0.522   1.458  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.075  -1.056   1.159  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.265  -0.840  -1.230  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.735  -0.498  -0.530  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.946   0.535   1.648  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.775   1.559   3.462  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.429   2.984   1.554  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.490   1.928  -0.312  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.931   4.003  -0.962  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.973   4.820   0.619  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.013   5.420  -0.642  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.559   4.549   0.700  1.00  0.00           H  
CONECT    1    2    3   10   50                                       
CONECT    2    1   23                                                 
CONECT    3    1    4    5   51                                       
CONECT    4    3   52   53                                            
CONECT    5    3    6    7   54                                       
CONECT    6    5   55                                                 
CONECT    7    5    8    9   56                                       
CONECT    8    7   19                                                 
CONECT    9    7   10   11   57                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   58   59                                       
CONECT   12   11   19                                                 
CONECT   13   14   14   15   60                                       
CONECT   14   13   13   16   61                                       
CONECT   15   13   17   17   62                                       
CONECT   16   14   18   18   63                                       
CONECT   17   15   15   18   64                                       
CONECT   18   16   16   17   19                                       
CONECT   19    8   12   18   65                                       
CONECT   20   26   21   25   66                                       
CONECT   21   20   22   67   68                                       
CONECT   22   27   21   23   69                                       
CONECT   23    2   22   24   70                                       
CONECT   24   28   25   23   71                                       
CONECT   25   29   20   24   72                                       
CONECT   26   20   73   74                                            
CONECT   27   22   75   76                                            
CONECT   28   32   24                                                 
CONECT   29   25   77                                                 
CONECT   30   35   31   37   78                                       
CONECT   31   32   30                                                 
CONECT   32   28   33   31   79                                       
CONECT   33   32   34   35   80                                       
CONECT   34   33   81                                                 
CONECT   35   33   36   30   82                                       
CONECT   36   35   41                                                 
CONECT   37   30   38   83   84                                       
CONECT   38   37   85                                                 
CONECT   39   48   40   46   86                                       
CONECT   40   39   41                                                 
CONECT   41   36   40   42   87                                       
CONECT   42   43   44   41   88                                       
CONECT   43   42   89   90                                            
CONECT   44   45   42   46   91                                       
CONECT   45   44   92                                                 
CONECT   46   47   44   39   93                                       
CONECT   47   46   94                                                 
CONECT   48   49   39   95   96                                       
CONECT   49   48   97   98                                            
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
