COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.029  -2.128   1.090  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.312  -3.447   0.540  1.00  0.00           C  
HETATM    3  C   UNL     1       1.358  -2.233   1.718  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.732  -1.018   1.017  1.00  0.00           C  
HETATM    5  C   UNL     1       1.033  -4.144   0.263  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.186  -3.351  -0.696  1.00  0.00           C  
HETATM    7  C   UNL     1       1.855  -3.680   1.505  1.00  0.00           C  
HETATM    8  C   UNL     1       2.311  -1.263   1.067  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.133  -1.100   0.468  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.290   0.046   1.395  1.00  0.00           O  
HETATM   11  C   UNL     1       1.723  -3.547  -0.965  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.440  -2.725  -1.874  1.00  0.00           C  
HETATM   13  N   UNL     1       3.549  -1.093   1.571  1.00  0.00           N  
HETATM   14  O   UNL     1       1.963  -0.635   0.089  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.930  -2.141   1.256  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.783   0.208   0.590  1.00  0.00           N  
HETATM   17  C   UNL     1       0.794  -3.583  -2.176  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.292  -2.687  -3.020  1.00  0.00           O  
HETATM   19  C   UNL     1       4.474  -0.150   0.938  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.299  -2.294   0.644  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.791   0.540  -0.241  1.00  0.00           C  
HETATM   22  C   UNL     1       5.801  -0.148   1.701  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.509  -3.227  -0.354  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.346  -1.506   1.084  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.459   1.885  -0.115  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.160  -0.244  -1.090  1.00  0.00           O  
HETATM   27  C   UNL     1       6.753   0.822   1.050  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.765  -3.368  -0.916  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.600  -1.644   0.520  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.453   2.987  -0.452  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.563   1.954  -1.020  1.00  0.00           O  
HETATM   32  C   UNL     1       7.639   0.504  -0.126  1.00  0.00           C  
HETATM   33  C   UNL     1       6.926   2.061   1.419  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.810  -2.576  -0.479  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.084   4.334  -0.208  1.00  0.00           C  
HETATM   36  N   UNL     1       8.401   1.721  -0.436  1.00  0.00           N  
HETATM   37  C   UNL     1       7.954   2.724   0.541  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.766   4.972  -1.226  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.975   4.933   1.033  1.00  0.00           C  
HETATM   40  C   UNL     1       9.333   1.888  -1.433  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.348   6.206  -1.001  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.554   6.169   1.257  1.00  0.00           C  
HETATM   43  N   UNL     1       9.625   0.896  -2.225  1.00  0.00           N  
HETATM   44  N   UNL     1       9.957   3.103  -1.594  1.00  0.00           N  
HETATM   45  C   UNL     1      -5.240   6.805   0.240  1.00  0.00           C  
HETATM   46  H   UNL     1      -0.856  -3.996   1.308  1.00  0.00           H  
HETATM   47  H   UNL     1       1.283  -2.019   2.784  1.00  0.00           H  
HETATM   48  H   UNL     1       0.938  -5.228   0.201  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.063  -2.746  -0.467  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.509  -4.355  -0.971  1.00  0.00           H  
HETATM   51  H   UNL     1       2.923  -3.695   1.289  1.00  0.00           H  
HETATM   52  H   UNL     1       1.626  -4.299   2.373  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.095  -1.390  -0.582  1.00  0.00           H  
HETATM   54  H   UNL     1       2.000  -2.514  -0.755  1.00  0.00           H  
HETATM   55  H   UNL     1       2.622  -4.122  -1.186  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.128  -1.713  -1.614  1.00  0.00           H  
HETATM   57  H   UNL     1       3.827  -1.595   2.353  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.409  -3.098   1.224  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.030  -1.815   2.291  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.487   0.834   1.269  1.00  0.00           H  
HETATM   61  H   UNL     1       1.313  -3.183  -3.047  1.00  0.00           H  
HETATM   62  H   UNL     1       0.486  -4.610  -2.371  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.776  -2.301  -3.740  1.00  0.00           H  
HETATM   64  H   UNL     1       4.043   0.851   0.956  1.00  0.00           H  
HETATM   65  H   UNL     1       4.650  -0.451  -0.095  1.00  0.00           H  
HETATM   66  H   UNL     1       6.232  -1.148   1.683  1.00  0.00           H  
HETATM   67  H   UNL     1       5.625   0.154   2.734  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.693  -3.846  -0.696  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.181  -0.778   1.865  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.817   2.018   0.906  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.929  -4.096  -1.696  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.416  -1.025   0.861  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.571   2.879   0.179  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.162   2.906  -1.499  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.204   1.832  -1.909  1.00  0.00           H  
HETATM   76  H   UNL     1       7.029   0.213  -0.981  1.00  0.00           H  
HETATM   77  H   UNL     1       8.326  -0.302   0.135  1.00  0.00           H  
HETATM   78  H   UNL     1       6.408   2.541   2.237  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.791  -2.685  -0.918  1.00  0.00           H  
HETATM   80  H   UNL     1       8.798   3.058   1.144  1.00  0.00           H  
HETATM   81  H   UNL     1       7.507   3.573   0.023  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.850   4.504  -2.196  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.439   4.437   1.828  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.885   6.703  -1.796  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.469   6.637   2.227  1.00  0.00           H  
HETATM   86  H   UNL     1       9.184   0.039  -2.112  1.00  0.00           H  
HETATM   87  H   UNL     1      10.614   3.221  -2.297  1.00  0.00           H  
HETATM   88  H   UNL     1       9.737   3.843  -1.007  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.693   7.770   0.415  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1    5    6   46                                       
CONECT    3    1    7    8   47                                       
CONECT    4    1    9   10   10                                       
CONECT    5    2    7   11   48                                       
CONECT    6    2   12   49   50                                       
CONECT    7    3    5   51   52                                       
CONECT    8    3   13   14   14                                       
CONECT    9    4   15   16   53                                       
CONECT   10    4    4                                                 
CONECT   11    5   17   54   55                                       
CONECT   12    6   17   18   56                                       
CONECT   13    8   19   57                                            
CONECT   14    8    8                                                 
CONECT   15    9   20   58   59                                       
CONECT   16    9   21   60                                            
CONECT   17   11   12   61   62                                       
CONECT   18   12   63                                                 
CONECT   19   13   22   64   65                                       
CONECT   20   15   23   23   24                                       
CONECT   21   16   25   26   26                                       
CONECT   22   19   27   66   67                                       
CONECT   23   20   20   28   68                                       
CONECT   24   20   29   29   69                                       
CONECT   25   21   30   31   70                                       
CONECT   26   21   21                                                 
CONECT   27   22   32   33   33                                       
CONECT   28   23   34   34   71                                       
CONECT   29   24   24   34   72                                       
CONECT   30   25   35   73   74                                       
CONECT   31   25   75                                                 
CONECT   32   27   36   76   77                                       
CONECT   33   27   27   37   78                                       
CONECT   34   28   28   29   79                                       
CONECT   35   30   38   39   39                                       
CONECT   36   32   37   40                                            
CONECT   37   33   36   80   81                                       
CONECT   38   35   41   41   82                                       
CONECT   39   35   35   42   83                                       
CONECT   40   36   43   43   44                                       
CONECT   41   38   38   45   84                                       
CONECT   42   39   45   45   85                                       
CONECT   43   40   40   86                                            
CONECT   44   40   87   88                                            
CONECT   45   41   42   42   89                                       
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
