COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.237  -0.906   0.610  1.00  0.00           C  
HETATM    2  C   UNL     1       6.613  -2.213   0.256  1.00  0.00           C  
HETATM    3  C   UNL     1       7.802  -2.730   0.796  1.00  0.00           C  
HETATM    4  C   UNL     1       4.748  -1.778  -0.763  1.00  0.00           C  
HETATM    5  N   UNL     1       8.514  -1.960   1.613  1.00  0.00           N  
HETATM    6  N   UNL     1       7.015  -0.210   1.432  1.00  0.00           N  
HETATM    7  C1* UNL     1      -4.550   0.949   0.880  1.00  0.00           C  
HETATM    8  C   UNL     1       8.120  -0.737   1.917  1.00  0.00           C  
HETATM    9  C2* UNL     1      -3.353   0.635   1.814  1.00  0.00           C  
HETATM   10  C3* UNL     1      -2.712   2.032   2.000  1.00  0.00           C  
HETATM   11  C4* UNL     1      -3.225   2.846   0.797  1.00  0.00           C  
HETATM   12  C5* UNL     1      -2.042   3.364  -0.024  1.00  0.00           C  
HETATM   13  C   UNL     1       0.581  -0.689  -1.136  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.072   0.150  -1.972  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.065  -0.272  -1.508  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.995  -1.908   1.202  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.827   0.679  -2.553  1.00  0.00           C  
HETATM   18  C   UNL     1       1.411   1.417  -1.997  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.050  -3.001  -0.598  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.275  -0.787  -0.943  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.016  -2.046  -0.608  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.048  -1.025   0.358  1.00  0.00           C  
HETATM   23  C   UNL     1       3.567   2.490  -1.278  1.00  0.00           C  
HETATM   24  C   UNL     1       4.811   1.603  -1.030  1.00  0.00           C  
HETATM   25  C   UNL     1       2.382   1.613  -0.831  1.00  0.00           C  
HETATM   26  C   UNL     1       4.278   0.579   0.004  1.00  0.00           C  
HETATM   27  N   UNL     1       8.223  -4.011   0.484  1.00  0.00           N  
HETATM   28  N   UNL     1       5.661  -2.688  -0.583  1.00  0.00           N  
HETATM   29  N   UNL     1       5.058  -0.660  -0.048  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.070  -4.033  -1.519  1.00  0.00           N  
HETATM   31  N   UNL     1      -8.006  -2.889   0.318  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.050  -0.992   1.230  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.916  -1.852  -1.367  1.00  0.00           N  
HETATM   34  N   UNL     1       0.228   0.681  -1.531  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.943  -0.244   0.126  1.00  0.00           N  
HETATM   36  O2* UNL     1      -3.805   0.111   3.064  1.00  0.00           O  
HETATM   37  O3* UNL     1      -3.147   2.623   3.226  1.00  0.00           O  
HETATM   38  O4* UNL     1      -4.030   1.965  -0.004  1.00  0.00           O  
HETATM   39  O5* UNL     1      -2.521   4.213  -1.068  1.00  0.00           O  
HETATM   40  O   UNL     1       3.633   3.681  -0.491  1.00  0.00           O  
HETATM   41  O   UNL     1       5.884   2.372  -0.480  1.00  0.00           O  
HETATM   42  O   UNL     1       2.920   0.344  -0.424  1.00  0.00           O  
HETATM   43  H   UNL     1       3.874  -1.893  -1.387  1.00  0.00           H  
HETATM   44  H1* UNL     1      -5.393   1.334   1.454  1.00  0.00           H  
HETATM   45  H   UNL     1       8.728  -0.146   2.586  1.00  0.00           H  
HETATM   46  H2* UNL     1      -2.656  -0.052   1.334  1.00  0.00           H  
HETATM   47  H3* UNL     1      -1.625   1.958   1.978  1.00  0.00           H  
HETATM   48  H4* UNL     1      -3.828   3.684   1.146  1.00  0.00           H  
HETATM   49 H5*1 UNL     1      -1.370   3.928   0.623  1.00  0.00           H  
HETATM   50 H5*2 UNL     1      -1.504   2.521  -0.458  1.00  0.00           H  
HETATM   51  H   UNL     1       1.314  -0.657  -0.329  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.312  -1.211  -0.795  1.00  0.00           H  
HETATM   53  H   UNL     1       1.005  -1.215  -1.991  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.795  -1.852   1.925  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.521   0.052  -3.390  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.995   1.697  -2.904  1.00  0.00           H  
HETATM   57  H   UNL     1       1.105   2.389  -2.383  1.00  0.00           H  
HETATM   58  H   UNL     1       1.902   0.850  -2.788  1.00  0.00           H  
HETATM   59  H   UNL     1       3.481   2.738  -2.336  1.00  0.00           H  
HETATM   60  H   UNL     1       5.123   1.104  -1.947  1.00  0.00           H  
HETATM   61  H   UNL     1       1.866   2.085   0.005  1.00  0.00           H  
HETATM   62  H   UNL     1       4.296   1.003   1.008  1.00  0.00           H  
HETATM   63  H   UNL     1       7.695  -4.563  -0.114  1.00  0.00           H  
HETATM   64  H   UNL     1       9.046  -4.357   0.863  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.788  -4.686  -1.502  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.366  -4.105  -2.183  1.00  0.00           H  
HETATM   67  H2* UNL     1      -3.092  -0.101   3.682  1.00  0.00           H  
HETATM   68  H3* UNL     1      -2.776   3.500   3.394  1.00  0.00           H  
HETATM   69  H5* UNL     1      -1.824   4.578  -1.630  1.00  0.00           H  
HETATM   70  H   UNL     1       4.361   4.271  -0.730  1.00  0.00           H  
HETATM   71  H   UNL     1       6.192   3.085  -1.056  1.00  0.00           H  
CONECT    1    2   29    6    6                                       
CONECT    2   28    3    3    1                                       
CONECT    3   27    2    2    5                                       
CONECT    4   28   28   29   43                                       
CONECT    5    3    8    8                                            
CONECT    6    1    1    8                                            
CONECT    7   38   35    9   44                                       
CONECT    8    5    5    6   45                                       
CONECT    9    7   10   36   46                                       
CONECT   10   11    9   37   47                                       
CONECT   11   38   12   10   48                                       
CONECT   12   39   11   49   50                                       
CONECT   13   34   51   52   53                                       
CONECT   14   15   15   15   17                                       
CONECT   15   20   14   14   14                                       
CONECT   16   31   32   32   54                                       
CONECT   17   34   14   55   56                                       
CONECT   18   25   34   57   58                                       
CONECT   19   30   31   31   21                                       
CONECT   20   33   33   15   35                                       
CONECT   21   19   33   22   22                                       
CONECT   22   21   21   32   35                                       
CONECT   23   24   40   25   59                                       
CONECT   24   41   23   26   60                                       
CONECT   25   23   42   18   61                                       
CONECT   26   24   29   42   62                                       
CONECT   27    3   63   64                                            
CONECT   28    2    4    4                                            
CONECT   29    4    1   26                                            
CONECT   30   19   65   66                                            
CONECT   31   19   19   16                                            
CONECT   32   16   16   22                                            
CONECT   33   21   20   20                                            
CONECT   34   18   13   17                                            
CONECT   35   20   22    7                                            
CONECT   36    9   67                                                 
CONECT   37   10   68                                                 
CONECT   38   11    7                                                 
CONECT   39   12   69                                                 
CONECT   40   23   70                                                 
CONECT   41   24   71                                                 
CONECT   42   26   25                                                 
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
