COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.907   1.572  -0.171  1.00  0.00           O  
HETATM    2  C   UNL     1       4.076   0.521  -0.302  1.00  0.00           C  
HETATM    3  O   UNL     1       4.356  -0.383  -1.065  1.00  0.00           O  
HETATM    4  N   UNL     1       2.935   0.470   0.413  1.00  0.00           N  
HETATM    5  C   UNL     1       2.031  -0.674   0.269  1.00  0.00           C  
HETATM    6  C   UNL     1       0.609  -0.251   0.644  1.00  0.00           C  
HETATM    7  O   UNL     1       0.590   0.205   1.999  1.00  0.00           O  
HETATM    8  C   UNL     1       0.153   0.879  -0.281  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.311   1.217   0.011  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.791   2.346  -0.903  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.191   2.745  -0.516  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.392   3.735   0.427  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.677   4.101   0.783  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.761   3.477   0.195  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.560   2.487  -0.749  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.276   2.124  -1.108  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.183  -0.011  -0.158  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.353  -0.663  -1.169  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.481   1.591   1.424  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.334   0.696   1.986  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.754  -0.235   1.107  1.00  0.00           C  
HETATM   22  C   UNL     1       2.488  -1.804   1.195  1.00  0.00           C  
HETATM   23  C   UNL     1       3.838  -2.304   0.748  1.00  0.00           C  
HETATM   24  C   UNL     1       4.989  -1.733   1.258  1.00  0.00           C  
HETATM   25  C   UNL     1       6.227  -2.192   0.849  1.00  0.00           C  
HETATM   26  C   UNL     1       6.314  -3.221  -0.070  1.00  0.00           C  
HETATM   27  C   UNL     1       5.163  -3.793  -0.578  1.00  0.00           C  
HETATM   28  C   UNL     1       3.924  -3.337  -0.166  1.00  0.00           C  
HETATM   29  C   UNL     1       6.137   1.626  -0.940  1.00  0.00           C  
HETATM   30  C   UNL     1       7.311   1.036  -0.128  1.00  0.00           C  
HETATM   31  O   UNL     1       8.444   1.870  -0.462  1.00  0.00           O  
HETATM   32  C   UNL     1       7.928   3.219  -0.505  1.00  0.00           C  
HETATM   33  C   UNL     1       6.552   3.093  -1.195  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.014  -2.695   1.177  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.705  -1.358   1.434  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.933  -1.239   0.571  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.948  -1.823  -0.694  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.756  -2.570  -1.149  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.809  -2.911  -0.253  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.041  -0.548   1.021  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.155  -0.425   0.208  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.163  -0.984  -1.058  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.062  -1.679  -1.516  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.632  -2.875  -2.319  1.00  0.00           O  
HETATM   45  H   UNL     1       2.712   1.191   1.022  1.00  0.00           H  
HETATM   46  H   UNL     1       2.046  -1.022  -0.764  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.063  -1.102   0.538  1.00  0.00           H  
HETATM   48  H   UNL     1       1.196   0.957   2.049  1.00  0.00           H  
HETATM   49  H   UNL     1       0.770   1.760  -0.110  1.00  0.00           H  
HETATM   50  H   UNL     1       0.252   0.561  -1.319  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.127   3.204  -0.800  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.784   2.003  -1.938  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.545   4.223   0.886  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.834   4.875   1.520  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.765   3.762   0.473  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.407   1.998  -1.208  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.119   1.350  -1.845  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.060   2.340   1.873  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.642   0.727   3.021  1.00  0.00           H  
HETATM   60  H   UNL     1       2.558  -1.431   2.216  1.00  0.00           H  
HETATM   61  H   UNL     1       1.767  -2.620   1.155  1.00  0.00           H  
HETATM   62  H   UNL     1       4.921  -0.929   1.975  1.00  0.00           H  
HETATM   63  H   UNL     1       7.127  -1.745   1.246  1.00  0.00           H  
HETATM   64  H   UNL     1       7.281  -3.579  -0.390  1.00  0.00           H  
HETATM   65  H   UNL     1       5.230  -4.597  -1.296  1.00  0.00           H  
HETATM   66  H   UNL     1       3.025  -3.783  -0.563  1.00  0.00           H  
HETATM   67  H   UNL     1       6.020   1.093  -1.884  1.00  0.00           H  
HETATM   68  H   UNL     1       7.098   1.095   0.940  1.00  0.00           H  
HETATM   69  H   UNL     1       7.500   0.004  -0.422  1.00  0.00           H  
HETATM   70  H   UNL     1       8.589   3.859  -1.089  1.00  0.00           H  
HETATM   71  H   UNL     1       7.812   3.612   0.505  1.00  0.00           H  
HETATM   72  H   UNL     1       6.642   3.284  -2.264  1.00  0.00           H  
HETATM   73  H   UNL     1       5.834   3.777  -0.743  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.049  -2.703   1.683  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.633  -3.500   1.576  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.992  -1.295   2.483  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.978  -3.305  -0.563  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.040  -0.105   2.006  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.023   0.111   0.565  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.033  -0.875  -1.689  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.065  -2.108  -2.507  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   45                                            
CONECT    5    4    6   22   46                                       
CONECT    6    5    7    8   47                                       
CONECT    7    6   48                                                 
CONECT    8    6    9   49   50                                       
CONECT    9    8   10   17   19                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   14   14   54                                       
CONECT   14   13   13   15   55                                       
CONECT   15   14   16   16   56                                       
CONECT   16   11   15   15   57                                       
CONECT   17    9   18   18   21                                       
CONECT   18   17   17                                                 
CONECT   19    9   20   58                                            
CONECT   20   19   21   21   59                                       
CONECT   21   17   20   20   35                                       
CONECT   22    5   23   60   61                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   62                                       
CONECT   25   24   26   26   63                                       
CONECT   26   25   25   27   64                                       
CONECT   27   26   28   28   65                                       
CONECT   28   23   27   27   66                                       
CONECT   29    1   30   33   67                                       
CONECT   30   29   31   68   69                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   70   71                                       
CONECT   33   29   32   72   73                                       
CONECT   34   35   39   74   75                                       
CONECT   35   21   34   36   76                                       
CONECT   36   35   37   37   40                                       
CONECT   37   36   36   38   43                                       
CONECT   38   37   39   44   44                                       
CONECT   39   34   38   77                                            
CONECT   40   36   41   41   78                                       
CONECT   41   40   40   42   79                                       
CONECT   42   41   43   43   80                                       
CONECT   43   37   42   42   81                                       
CONECT   44   38   38                                                 
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
