COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.411  -2.190  -1.234  1.00  0.00           C  
HETATM    2  N   UNL     1       3.627  -2.258  -0.692  1.00  0.00           N  
HETATM    3  O   UNL     1       2.267  -1.467  -2.201  1.00  0.00           O  
HETATM    4  C   UNL     1       1.242  -2.923  -0.760  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.026  -0.538  -1.399  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.423  -2.467   0.947  1.00  0.00           O  
HETATM    7  C   UNL     1       0.086  -2.818  -1.416  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.355  -3.775   2.878  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.899  -0.878  -0.502  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.139  -3.545  -0.925  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.232   0.469  -2.234  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.380  -2.706  -1.240  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.169   4.986   0.407  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.669  -1.760  -0.072  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.022   1.532   0.754  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.483  -0.563  -0.572  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.502  -3.063   1.884  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.194   0.638   0.290  1.00  0.00           C  
HETATM   19  O   UNL     1       7.729   0.026   0.326  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.746   1.743  -0.255  1.00  0.00           C  
HETATM   21  O   UNL     1       2.191   2.307  -0.076  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.429   2.934   0.613  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.131   3.585   0.130  1.00  0.00           C  
HETATM   24  C   UNL     1       0.060   2.955   0.853  1.00  0.00           C  
HETATM   25  C   UNL     1       1.366   3.436   0.214  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.004   5.812  -0.748  1.00  0.00           C  
HETATM   27  C   UNL     1       3.592   2.596  -0.128  1.00  0.00           C  
HETATM   28  C   UNL     1       4.353   1.293  -0.153  1.00  0.00           C  
HETATM   29  C   UNL     1       5.711   1.265   0.096  1.00  0.00           C  
HETATM   30  C   UNL     1       6.392   0.055   0.086  1.00  0.00           C  
HETATM   31  C   UNL     1       5.708  -1.124  -0.170  1.00  0.00           C  
HETATM   32  C   UNL     1       4.348  -1.091  -0.436  1.00  0.00           C  
HETATM   33  C   UNL     1       3.670   0.125  -0.423  1.00  0.00           C  
HETATM   34  C   UNL     1       1.335  -3.797   0.465  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.716  -3.100   1.902  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.702  -0.288  -1.408  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.411   0.568   1.780  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.572   3.948   0.525  1.00  0.00           C  
HETATM   39  C   UNL     1       0.555   0.838   1.862  1.00  0.00           C  
HETATM   40  C   UNL     1       8.366  -1.253   0.300  1.00  0.00           C  
HETATM   41  H   UNL     1       4.011  -3.121  -0.474  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.401  -1.142  -0.739  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.604  -0.113  -2.051  1.00  0.00           H  
HETATM   44  H   UNL     1       0.034  -2.219  -2.314  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.846  -4.231   3.566  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.325  -3.805   2.892  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.214  -4.510  -1.426  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.065  -3.698   0.152  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.204  -2.124  -2.144  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.234  -3.365  -1.393  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.728  -1.408   0.351  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.211  -0.343  -1.604  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.597   1.796  -1.322  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.310   2.610   1.647  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.026   3.430  -0.944  1.00  0.00           H  
HETATM   56  H   UNL     1       0.041   3.247   1.903  1.00  0.00           H  
HETATM   57  H   UNL     1       1.887   4.099   0.905  1.00  0.00           H  
HETATM   58  H   UNL     1       1.144   3.972  -0.709  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.057   5.574  -1.232  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.823   5.631  -1.444  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.007   6.860  -0.449  1.00  0.00           H  
HETATM   62  H   UNL     1       3.814   3.167  -1.029  1.00  0.00           H  
HETATM   63  H   UNL     1       3.878   3.174   0.751  1.00  0.00           H  
HETATM   64  H   UNL     1       6.242   2.184   0.297  1.00  0.00           H  
HETATM   65  H   UNL     1       6.235  -2.067  -0.163  1.00  0.00           H  
HETATM   66  H   UNL     1       2.609   0.154  -0.625  1.00  0.00           H  
HETATM   67  H   UNL     1       2.350  -3.758   0.862  1.00  0.00           H  
HETATM   68  H   UNL     1       0.636  -3.439   1.221  1.00  0.00           H  
HETATM   69  H   UNL     1       1.088  -4.824   0.199  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.096   1.359   2.084  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.835  -0.401   2.040  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.457   0.697   2.292  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.691   4.273  -0.508  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.496   3.485   0.870  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.342   4.810   1.152  1.00  0.00           H  
HETATM   76  H   UNL     1       0.452  -0.237   1.711  1.00  0.00           H  
HETATM   77  H   UNL     1       1.611   1.094   1.941  1.00  0.00           H  
HETATM   78  H   UNL     1       0.041   1.126   2.779  1.00  0.00           H  
HETATM   79  H   UNL     1       9.429  -1.135   0.508  1.00  0.00           H  
HETATM   80  H   UNL     1       7.918  -1.897   1.057  1.00  0.00           H  
HETATM   81  H   UNL     1       8.235  -1.704  -0.683  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2   32    1   41                                            
CONECT    3    1    1                                                 
CONECT    4    1   34    7    7                                       
CONECT    5   36   42   43                                            
CONECT    6   14   35                                                 
CONECT    7    4    4   10   44                                       
CONECT    8   35   45   46                                            
CONECT    9   16   36                                                 
CONECT   10    7   12   47   48                                       
CONECT   11   36   36                                                 
CONECT   12   10   14   49   50                                       
CONECT   13   26   23                                                 
CONECT   14   12   16    6   51                                       
CONECT   15   24   39                                                 
CONECT   16   18   14    9   52                                       
CONECT   17   35   35                                                 
CONECT   18   37   20   20   16                                       
CONECT   19   40   30                                                 
CONECT   20   22   18   18   53                                       
CONECT   21   27   25                                                 
CONECT   22   38   23   20   54                                       
CONECT   23   13   22   24   55                                       
CONECT   24   25   23   15   56                                       
CONECT   25   21   24   57   58                                       
CONECT   26   13   59   60   61                                       
CONECT   27   28   21   62   63                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   64                                       
CONECT   30   19   31   31   29                                       
CONECT   31   30   30   32   65                                       
CONECT   32   31    2   33   33                                       
CONECT   33   32   32   28   66                                       
CONECT   34    4   67   68   69                                       
CONECT   35   17   17    6    8                                       
CONECT   36    9    5   11   11                                       
CONECT   37   18   70   71   72                                       
CONECT   38   22   73   74   75                                       
CONECT   39   15   76   77   78                                       
CONECT   40   19   79   80   81                                       
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
