COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.048   0.542   2.102  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.581  -0.151   0.411  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.250   0.347   1.618  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.448   0.631   2.311  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.469   0.292   1.469  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.889  -0.195   0.296  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.943   0.415   1.755  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.575   1.204   3.699  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.627   0.064   4.718  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.754   0.637   6.107  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.798   1.834   6.264  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.818  -0.181   7.168  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.644  -0.692  -0.910  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.994   0.220  -2.489  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.656  -1.009  -2.034  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.392  -1.551  -3.237  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.162  -0.711  -4.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.300   0.384  -3.789  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.229  -2.804  -3.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.707  -0.864  -5.640  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.057  -0.151  -5.743  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.917   1.304  -4.486  1.00  0.00           O  
HETATM   23  N   UNL     1       2.381   1.472  -2.679  1.00  0.00           N  
HETATM   24  C   UNL     1       2.238   1.697  -3.999  1.00  0.00           C  
HETATM   25  C   UNL     1       3.145   0.828  -4.757  1.00  0.00           C  
HETATM   26  C   UNL     1       3.846   0.070  -3.920  1.00  0.00           C  
HETATM   27  C   UNL     1       3.400   0.426  -2.521  1.00  0.00           C  
HETATM   28  C   UNL     1       4.884  -0.955  -4.295  1.00  0.00           C  
HETATM   29  C   UNL     1       6.260  -0.288  -4.360  1.00  0.00           C  
HETATM   30  O   UNL     1       1.470   2.501  -4.491  1.00  0.00           O  
HETATM   31  C   UNL     1       2.798  -0.794  -1.821  1.00  0.00           C  
HETATM   32  N   UNL     1       1.134  -0.110  -0.031  1.00  0.00           N  
HETATM   33  C   UNL     1       2.387  -0.418  -0.421  1.00  0.00           C  
HETATM   34  C   UNL     1       3.220  -0.342   0.650  1.00  0.00           C  
HETATM   35  C   UNL     1       2.465   0.037   1.756  1.00  0.00           C  
HETATM   36  C   UNL     1       1.149   0.177   1.318  1.00  0.00           C  
HETATM   37  C   UNL     1       4.703  -0.611   0.641  1.00  0.00           C  
HETATM   38  C   UNL     1       2.972   0.249   3.159  1.00  0.00           C  
HETATM   39  C   UNL     1       2.895  -1.067   3.934  1.00  0.00           C  
HETATM   40  C   UNL     1       3.402  -0.855   5.337  1.00  0.00           C  
HETATM   41  O   UNL     1       3.785   0.237   5.682  1.00  0.00           O  
HETATM   42  O   UNL     1       3.427  -1.880   6.204  1.00  0.00           O  
HETATM   43  H   UNL     1       0.201   0.975   3.080  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.511   0.061   0.895  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.196  -0.184   2.629  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.190   1.460   1.948  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.715   1.840   3.909  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.488   1.794   3.767  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.487  -0.571   4.508  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.714  -0.525   4.651  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.900   0.185   8.058  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.196  -1.594  -0.646  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.341   0.075  -1.244  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.440   0.807  -1.951  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.914  -1.730  -1.691  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.632  -2.930  -4.293  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.610  -3.664  -3.034  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.049  -2.722  -2.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.009  -0.423  -6.352  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.836  -1.922  -5.866  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.450  -0.262  -6.753  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.755  -0.592  -5.031  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.927   0.906  -5.517  1.00  0.00           H  
HETATM   64  H   UNL     1       1.898   1.916  -1.965  1.00  0.00           H  
HETATM   65  H   UNL     1       3.230   0.807  -5.833  1.00  0.00           H  
HETATM   66  H   UNL     1       4.245   0.808  -1.948  1.00  0.00           H  
HETATM   67  H   UNL     1       4.640  -1.380  -5.269  1.00  0.00           H  
HETATM   68  H   UNL     1       4.900  -1.747  -3.547  1.00  0.00           H  
HETATM   69  H   UNL     1       7.011  -1.030  -4.632  1.00  0.00           H  
HETATM   70  H   UNL     1       6.244   0.504  -5.109  1.00  0.00           H  
HETATM   71  H   UNL     1       6.504   0.136  -3.387  1.00  0.00           H  
HETATM   72  H   UNL     1       1.925  -1.137  -2.377  1.00  0.00           H  
HETATM   73  H   UNL     1       3.540  -1.591  -1.780  1.00  0.00           H  
HETATM   74  H   UNL     1       0.351  -0.094  -0.604  1.00  0.00           H  
HETATM   75  H   UNL     1       4.882  -1.664   0.856  1.00  0.00           H  
HETATM   76  H   UNL     1       5.110  -0.366  -0.339  1.00  0.00           H  
HETATM   77  H   UNL     1       5.188   0.002   1.399  1.00  0.00           H  
HETATM   78  H   UNL     1       4.006   0.590   3.124  1.00  0.00           H  
HETATM   79  H   UNL     1       2.358   1.000   3.657  1.00  0.00           H  
HETATM   80  H   UNL     1       1.860  -1.408   3.969  1.00  0.00           H  
HETATM   81  H   UNL     1       3.508  -1.818   3.436  1.00  0.00           H  
HETATM   82  H   UNL     1       3.752  -1.743   7.104  1.00  0.00           H  
CONECT    1    3    3   36   43                                       
CONECT    2    3    6    6                                            
CONECT    3    1    1    2    4                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6    7                                       
CONECT    6    2    2    5   13                                       
CONECT    7    5   44   45   46                                       
CONECT    8    4    9   47   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   51                                                 
CONECT   13    6   15   52   53                                       
CONECT   14   15   18   54                                            
CONECT   15   13   14   16   55                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   20                                       
CONECT   18   14   17   22   22                                       
CONECT   19   16   56   57   58                                       
CONECT   20   17   21   59   60                                       
CONECT   21   20   61   62   63                                       
CONECT   22   18   18                                                 
CONECT   23   24   27   64                                            
CONECT   24   23   25   30   30                                       
CONECT   25   24   26   26   65                                       
CONECT   26   25   25   27   28                                       
CONECT   27   23   26   31   66                                       
CONECT   28   26   29   67   68                                       
CONECT   29   28   69   70   71                                       
CONECT   30   24   24                                                 
CONECT   31   27   33   72   73                                       
CONECT   32   33   36   74                                            
CONECT   33   31   32   34   34                                       
CONECT   34   33   33   35   37                                       
CONECT   35   34   36   36   38                                       
CONECT   36    1   32   35   35                                       
CONECT   37   34   75   76   77                                       
CONECT   38   35   39   78   79                                       
CONECT   39   38   40   80   81                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   82                                                 
CONECT   43    1                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   42                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
