COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.370   2.611   1.828  1.00  0.00           C  
HETATM    2  O   UNL     1       2.406   3.552   1.554  1.00  0.00           O  
HETATM    3  C   UNL     1       1.297   1.601   0.676  1.00  0.00           C  
HETATM    4  N   UNL     1       1.148   2.270  -0.600  1.00  0.00           N  
HETATM    5  C   UNL     1       0.157   0.600   0.905  1.00  0.00           C  
HETATM    6  O   UNL     1       0.523  -0.304   1.947  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.154   1.294   1.291  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.709   1.864   0.102  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.979   2.416   2.329  1.00  0.00           C  
HETATM   10  O   UNL     1       0.119   3.275   1.999  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.872   1.912   3.767  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.704   3.026   4.623  1.00  0.00           O  
HETATM   13  C   UNL     1       3.949   6.879   3.678  1.00  0.00           C  
HETATM   14  N   UNL     1       4.129   7.892   4.722  1.00  0.00           N  
HETATM   15  C   UNL     1       2.531   6.991   3.110  1.00  0.00           C  
HETATM   16  C   UNL     1       2.275   5.919   2.048  1.00  0.00           C  
HETATM   17  N   UNL     1       0.894   6.030   1.572  1.00  0.00           N  
HETATM   18  C   UNL     1       2.525   4.512   2.608  1.00  0.00           C  
HETATM   19  C   UNL     1       3.921   4.381   3.227  1.00  0.00           C  
HETATM   20  O   UNL     1       3.984   3.108   3.879  1.00  0.00           O  
HETATM   21  C   UNL     1       4.214   5.481   4.253  1.00  0.00           C  
HETATM   22  O   UNL     1       5.594   5.404   4.621  1.00  0.00           O  
HETATM   23  C   UNL     1       2.113  -4.669   1.293  1.00  0.00           C  
HETATM   24  O   UNL     1       2.355  -5.576   2.368  1.00  0.00           O  
HETATM   25  C   UNL     1       0.929  -3.766   1.661  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.233  -4.548   2.030  1.00  0.00           N  
HETATM   27  C   UNL     1       0.600  -2.809   0.507  1.00  0.00           C  
HETATM   28  O   UNL     1       1.607  -1.802   0.426  1.00  0.00           O  
HETATM   29  C   UNL     1       0.516  -3.534  -0.841  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.733  -4.231  -0.880  1.00  0.00           O  
HETATM   31  C   UNL     1       1.645  -4.553  -1.068  1.00  0.00           C  
HETATM   32  O   UNL     1       1.851  -5.379   0.084  1.00  0.00           O  
HETATM   33  C   UNL     1       2.956  -3.923  -1.536  1.00  0.00           C  
HETATM   34  O   UNL     1       2.723  -3.265  -2.768  1.00  0.00           O  
HETATM   35  C   UNL     1       1.703  -1.036   1.626  1.00  0.00           C  
HETATM   36  H   UNL     1       1.642   2.111   2.764  1.00  0.00           H  
HETATM   37  H   UNL     1       2.252   1.062   0.644  1.00  0.00           H  
HETATM   38  H   UNL     1       0.760   3.186  -0.602  1.00  0.00           H  
HETATM   39  H   UNL     1       1.243   1.722  -1.426  1.00  0.00           H  
HETATM   40  H   UNL     1       0.010  -0.008   0.004  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.881   0.562   1.662  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.164   2.637  -0.113  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.866   3.059   2.290  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.013   1.248   3.865  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.782   1.379   4.042  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.769   3.824   4.070  1.00  0.00           H  
HETATM   47  H   UNL     1       4.679   7.094   2.889  1.00  0.00           H  
HETATM   48  H   UNL     1       4.534   7.604   5.584  1.00  0.00           H  
HETATM   49  H   UNL     1       3.662   8.763   4.609  1.00  0.00           H  
HETATM   50  H   UNL     1       1.797   6.894   3.922  1.00  0.00           H  
HETATM   51  H   UNL     1       2.386   7.988   2.672  1.00  0.00           H  
HETATM   52  H   UNL     1       2.930   6.089   1.185  1.00  0.00           H  
HETATM   53  H   UNL     1       0.479   6.934   1.561  1.00  0.00           H  
HETATM   54  H   UNL     1       0.368   5.192   1.477  1.00  0.00           H  
HETATM   55  H   UNL     1       1.765   4.251   3.355  1.00  0.00           H  
HETATM   56  H   UNL     1       4.691   4.360   2.447  1.00  0.00           H  
HETATM   57  H   UNL     1       3.490   2.492   3.319  1.00  0.00           H  
HETATM   58  H   UNL     1       3.630   5.308   5.165  1.00  0.00           H  
HETATM   59  H   UNL     1       5.691   4.593   5.141  1.00  0.00           H  
HETATM   60  H   UNL     1       3.027  -4.078   1.172  1.00  0.00           H  
HETATM   61  H   UNL     1       1.485  -5.870   2.681  1.00  0.00           H  
HETATM   62  H   UNL     1       1.215  -3.184   2.545  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.091  -5.498   2.288  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.131  -4.175   1.817  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.343  -2.289   0.715  1.00  0.00           H  
HETATM   66  H   UNL     1       0.503  -2.812  -1.665  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.651  -4.980  -0.269  1.00  0.00           H  
HETATM   68  H   UNL     1       1.330  -5.241  -1.860  1.00  0.00           H  
HETATM   69  H   UNL     1       3.710  -4.697  -1.677  1.00  0.00           H  
HETATM   70  H   UNL     1       3.304  -3.199  -0.800  1.00  0.00           H  
HETATM   71  H   UNL     1       2.781  -3.939  -3.467  1.00  0.00           H  
HETATM   72  H   UNL     1       1.950  -1.716   2.449  1.00  0.00           H  
HETATM   73  H   UNL     1       2.530  -0.322   1.541  1.00  0.00           H  
CONECT    1    2    3   10   36                                       
CONECT    2    1   18                                                 
CONECT    3    1    4    5   37                                       
CONECT    4    3   38   39                                            
CONECT    5    3    6    7   40                                       
CONECT    6    5   35                                                 
CONECT    7    5    9    8   41                                       
CONECT    8    7   42                                                 
CONECT    9    7   10   11   43                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   44   45                                       
CONECT   12   11   46                                                 
CONECT   13   14   21   15   47                                       
CONECT   14   13   48   49                                            
CONECT   15   13   16   50   51                                       
CONECT   16   15   18   17   52                                       
CONECT   17   16   53   54                                            
CONECT   18    2   16   19   55                                       
CONECT   19   18   21   20   56                                       
CONECT   20   19   57                                                 
CONECT   21   13   19   22   58                                       
CONECT   22   21   59                                                 
CONECT   23   25   32   24   60                                       
CONECT   24   23   61                                                 
CONECT   25   23   27   26   62                                       
CONECT   26   25   63   64                                            
CONECT   27   25   28   29   65                                       
CONECT   28   27   35                                                 
CONECT   29   27   30   31   66                                       
CONECT   30   29   67                                                 
CONECT   31   29   33   32   68                                       
CONECT   32   23   31                                                 
CONECT   33   31   34   69   70                                       
CONECT   34   33   71                                                 
CONECT   35    6   28   72   73                                       
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
