COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.183   0.343  -0.366  1.00  0.00           C  
HETATM    2  C   UNL     1       5.306   1.145   0.599  1.00  0.00           C  
HETATM    3  C   UNL     1       4.153   0.260   1.084  1.00  0.00           C  
HETATM    4  C   UNL     1       3.369  -0.249  -0.129  1.00  0.00           C  
HETATM    5  C   UNL     1       4.321  -0.998  -1.066  1.00  0.00           C  
HETATM    6  C   UNL     1       3.557  -1.457  -2.309  1.00  0.00           C  
HETATM    7  C   UNL     1       6.835   2.709   1.671  1.00  0.00           C  
HETATM    8  C   UNL     1       7.660   3.154   2.851  1.00  0.00           C  
HETATM    9  N   UNL     1       6.108   1.577   1.746  1.00  0.00           N  
HETATM   10  O   UNL     1       7.228   1.179  -0.867  1.00  0.00           O  
HETATM   11  O   UNL     1       3.289   1.021   1.929  1.00  0.00           O  
HETATM   12  O   UNL     1       2.335  -1.134   0.307  1.00  0.00           O  
HETATM   13  O   UNL     1       5.386  -0.127  -1.455  1.00  0.00           O  
HETATM   14  O   UNL     1       4.422  -2.237  -3.138  1.00  0.00           O  
HETATM   15  O   UNL     1       6.825   3.370   0.654  1.00  0.00           O  
HETATM   16  C   UNL     1       1.076  -0.918  -0.332  1.00  0.00           C  
HETATM   17  C   UNL     1       0.119  -2.058   0.025  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.246  -1.788  -0.615  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.761  -0.426  -0.139  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.731   0.651  -0.490  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.210   2.006   0.036  1.00  0.00           C  
HETATM   22  C   UNL     1       1.549  -4.017   0.254  1.00  0.00           C  
HETATM   23  C   UNL     1       2.101  -5.320  -0.265  1.00  0.00           C  
HETATM   24  N   UNL     1       0.655  -3.324  -0.480  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.167  -2.810  -0.228  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.000  -0.130  -0.785  1.00  0.00           O  
HETATM   27  O   UNL     1       0.523   0.323   0.111  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.295   3.026  -0.371  1.00  0.00           O  
HETATM   29  O   UNL     1       1.908  -3.593   1.332  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.987   0.434   0.080  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.159   0.958  -0.756  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.239   1.507   0.182  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.666   0.402   1.153  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.436  -0.100   1.915  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.844  -1.245   2.844  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.144   1.719  -2.836  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.661   2.818  -3.748  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.689   2.026  -1.642  1.00  0.00           N  
HETATM   39  O   UNL     1      -7.367   1.931  -0.586  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.621   0.924   2.080  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.459  -0.567   0.983  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.722  -1.635   3.639  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.042   0.560  -3.176  1.00  0.00           O  
HETATM   44  H   UNL     1       6.618  -0.508   0.160  1.00  0.00           H  
HETATM   45  H   UNL     1       4.904   2.018   0.085  1.00  0.00           H  
HETATM   46  H   UNL     1       4.554  -0.587   1.641  1.00  0.00           H  
HETATM   47  H   UNL     1       2.927   0.595  -0.658  1.00  0.00           H  
HETATM   48  H   UNL     1       4.732  -1.865  -0.549  1.00  0.00           H  
HETATM   49  H   UNL     1       2.701  -2.061  -2.007  1.00  0.00           H  
HETATM   50  H   UNL     1       3.210  -0.586  -2.865  1.00  0.00           H  
HETATM   51  H   UNL     1       7.543   2.440   3.666  1.00  0.00           H  
HETATM   52  H   UNL     1       8.709   3.207   2.562  1.00  0.00           H  
HETATM   53  H   UNL     1       7.324   4.138   3.180  1.00  0.00           H  
HETATM   54  H   UNL     1       6.115   1.048   2.559  1.00  0.00           H  
HETATM   55  H   UNL     1       7.824   0.735  -1.486  1.00  0.00           H  
HETATM   56  H   UNL     1       3.723   1.380   2.715  1.00  0.00           H  
HETATM   57  H   UNL     1       4.003  -2.563  -3.946  1.00  0.00           H  
HETATM   58  H   UNL     1       1.217  -0.887  -1.413  1.00  0.00           H  
HETATM   59  H   UNL     1       0.009  -2.115   1.108  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.145  -1.780  -1.700  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.909  -0.450   0.941  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.613   0.703  -1.572  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.199   2.223  -0.367  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.260   1.976   1.125  1.00  0.00           H  
HETATM   65  H   UNL     1       3.184  -5.243  -0.360  1.00  0.00           H  
HETATM   66  H   UNL     1       1.853  -6.122   0.429  1.00  0.00           H  
HETATM   67  H   UNL     1       1.665  -5.536  -1.241  1.00  0.00           H  
HETATM   68  H   UNL     1       0.368  -3.663  -1.342  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.899  -3.701  -0.493  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.537   3.913  -0.072  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.548   1.256   0.645  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.573   0.145  -1.352  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.840   2.352   0.743  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.110  -0.422   0.596  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.016   0.715   2.504  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.653  -0.914   3.495  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.181  -2.093   2.249  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.261   3.714  -3.586  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.615   3.036  -3.531  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.758   2.498  -4.785  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.771   2.953  -1.370  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.094   2.284  -0.054  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.935   0.277   2.726  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.909  -2.359   4.253  1.00  0.00           H  
CONECT    1   13    2   10   44                                       
CONECT    2    3    1    9   45                                       
CONECT    3    4   11    2   46                                       
CONECT    4   12    5    3   47                                       
CONECT    5    6    4   13   48                                       
CONECT    6   14    5   49   50                                       
CONECT    7   15   15    9    8                                       
CONECT    8    7   51   52   53                                       
CONECT    9    2    7   54                                            
CONECT   10    1   55                                                 
CONECT   11    3   56                                                 
CONECT   12   16    4                                                 
CONECT   13    5    1                                                 
CONECT   14    6   57                                                 
CONECT   15    7    7                                                 
CONECT   16   17   27   12   58                                       
CONECT   17   18   24   16   59                                       
CONECT   18   25   19   17   60                                       
CONECT   19   26   18   20   61                                       
CONECT   20   19   21   27   62                                       
CONECT   21   20   28   63   64                                       
CONECT   22   24   23   29   29                                       
CONECT   23   22   67   65   66                                       
CONECT   24   17   22   68                                            
CONECT   25   18   69                                                 
CONECT   26   30   19                                                 
CONECT   27   20   16                                                 
CONECT   28   21   70                                                 
CONECT   29   22   22                                                 
CONECT   30   31   41   26   71                                       
CONECT   31   32   38   30   72                                       
CONECT   32   39   33   31   73                                       
CONECT   33   32   40   34   74                                       
CONECT   34   33   35   41   75                                       
CONECT   35   42   34   76   77                                       
CONECT   36   43   43   37   38                                       
CONECT   37   36   79   80   78                                       
CONECT   38   36   31   81                                            
CONECT   39   32   82                                                 
CONECT   40   33   83                                                 
CONECT   41   34   30                                                 
CONECT   42   35   84                                                 
CONECT   43   36   36                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
