COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.304   1.836  -0.771  1.00  0.00           C  
HETATM    2  C   UNL     1       0.856   1.543   2.307  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.069   0.964   3.154  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.318  -0.391   3.101  1.00  0.00           C  
HETATM    5  C   UNL     1       1.552   0.747   1.396  1.00  0.00           C  
HETATM    6  C   UNL     1       1.322  -0.626   1.354  1.00  0.00           C  
HETATM    7  C   UNL     1       0.369  -1.204   2.187  1.00  0.00           C  
HETATM    8  C   UNL     1       2.513   1.344   0.439  1.00  0.00           C  
HETATM    9  C   UNL     1       5.724   3.028  -1.332  1.00  0.00           C  
HETATM   10  C   UNL     1       4.663  -0.048  -2.243  1.00  0.00           C  
HETATM   11  C   UNL     1       3.544  -1.002  -2.568  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.203   1.306  -0.567  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.790   2.661  -1.948  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.552   2.039  -3.120  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.635   3.772  -1.322  1.00  0.00           C  
HETATM   16  C   UNL     1       0.749  -4.070  -1.216  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.553   0.927  -0.312  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.507   1.602  -0.914  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.988  -0.349   0.975  1.00  0.00           C  
HETATM   20  C   UNL     1       0.090  -2.646   2.156  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.127  -2.503  -0.718  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.622  -1.398   0.216  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.521   0.006   0.755  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.943   0.330   0.377  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.363  -3.154   3.176  1.00  0.00           O  
HETATM   26  N   UNL     1       0.228  -3.457   1.091  1.00  0.00           N  
HETATM   27  C   UNL     1       0.274  -2.947  -0.285  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.010  -1.055  -0.123  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.294  -0.044   0.637  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.077  -2.008  -2.057  1.00  0.00           O  
HETATM   31  O   UNL     1       2.158  -3.950  -1.421  1.00  0.00           O  
HETATM   32  C   UNL     1       2.521  -3.220  -2.594  1.00  0.00           C  
HETATM   33  C   UNL     1       3.648  -2.274  -2.269  1.00  0.00           C  
HETATM   34  C   UNL     1       4.135   1.093  -1.367  1.00  0.00           C  
HETATM   35  C   UNL     1       6.796   3.709  -0.786  1.00  0.00           C  
HETATM   36  C   UNL     1       7.448   3.199   0.321  1.00  0.00           C  
HETATM   37  C   UNL     1       7.027   2.008   0.882  1.00  0.00           C  
HETATM   38  C   UNL     1       5.959   1.324   0.333  1.00  0.00           C  
HETATM   39  N   UNL     1       3.306   0.527  -0.293  1.00  0.00           N  
HETATM   40  O   UNL     1       2.575   2.553   0.315  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.817   1.823   4.141  1.00  0.00           C  
HETATM   42  H   UNL     1       1.026   2.609   2.342  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.037  -0.835   3.774  1.00  0.00           H  
HETATM   44  H   UNL     1       1.896  -1.239   0.678  1.00  0.00           H  
HETATM   45  H   UNL     1       5.215   3.426  -2.197  1.00  0.00           H  
HETATM   46  H   UNL     1       5.447  -0.579  -1.698  1.00  0.00           H  
HETATM   47  H   UNL     1       5.072   0.365  -3.165  1.00  0.00           H  
HETATM   48  H   UNL     1       2.648  -0.638  -3.049  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.386   1.833  -1.037  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.849   3.079  -2.307  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.756   2.805  -3.868  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.949   1.247  -3.566  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.492   1.621  -2.761  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.576   3.355  -0.964  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.093   4.215  -0.488  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.840   4.538  -2.071  1.00  0.00           H  
HETATM   57  H   UNL     1       0.531  -5.033  -0.760  1.00  0.00           H  
HETATM   58  H   UNL     1       0.232  -3.988  -2.172  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.572   1.159  -0.583  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.786  -1.112   1.712  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.808  -3.352  -0.670  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.577  -1.746   1.248  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.992  -0.516   0.102  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.904   0.897   0.645  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.488  -0.333   1.791  1.00  0.00           H  
HETATM   66  H   UNL     1       0.305  -4.424   1.244  1.00  0.00           H  
HETATM   67  H   UNL     1       0.962  -2.111  -0.373  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.603  -1.871  -0.088  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.111  -0.575   1.103  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.488  -1.250  -2.175  1.00  0.00           H  
HETATM   71  H   UNL     1       2.845  -3.917  -3.368  1.00  0.00           H  
HETATM   72  H   UNL     1       1.663  -2.652  -2.954  1.00  0.00           H  
HETATM   73  H   UNL     1       4.540  -2.648  -1.787  1.00  0.00           H  
HETATM   74  H   UNL     1       3.537   1.776  -1.969  1.00  0.00           H  
HETATM   75  H   UNL     1       7.124   4.640  -1.225  1.00  0.00           H  
HETATM   76  H   UNL     1       8.286   3.731   0.747  1.00  0.00           H  
HETATM   77  H   UNL     1       7.537   1.609   1.747  1.00  0.00           H  
HETATM   78  H   UNL     1       5.631   0.393   0.772  1.00  0.00           H  
HETATM   79  H   UNL     1       3.345  -0.426  -0.104  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.735   2.189   3.682  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.062   1.232   5.024  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.193   2.668   4.432  1.00  0.00           H  
CONECT    1    9    9   38   34                                       
CONECT    2    3    3    5   42                                       
CONECT    3   41    2    2    4                                       
CONECT    4    3    7    7   43                                       
CONECT    5    2    8    6    6                                       
CONECT    6    5    5    7   44                                       
CONECT    7    4    4    6   20                                       
CONECT    8   40   40    5   39                                       
CONECT    9   35    1    1   45                                       
CONECT   10   34   11   46   47                                       
CONECT   11   10   33   33   48                                       
CONECT   12   24   18   18   49                                       
CONECT   13   18   14   15   50                                       
CONECT   14   13   51   52   53                                       
CONECT   15   13   54   55   56                                       
CONECT   16   27   31   57   58                                       
CONECT   17   29   29   18   59                                       
CONECT   18   12   12   17   13                                       
CONECT   19   24   24   29   60                                       
CONECT   20    7   25   25   26                                       
CONECT   21   22   27   30   61                                       
CONECT   22   28   21   62   63                                       
CONECT   23   28   24   64   65                                       
CONECT   24   23   19   19   12                                       
CONECT   25   20   20                                                 
CONECT   26   20   27   66                                            
CONECT   27   26   21   16   67                                       
CONECT   28   23   22   68                                            
CONECT   29   19   17   17   69                                       
CONECT   30   21   70                                                 
CONECT   31   16   32                                                 
CONECT   32   31   33   71   72                                       
CONECT   33   11   11   32   73                                       
CONECT   34    1   39   10   74                                       
CONECT   35   36   36    9   75                                       
CONECT   36   35   35   37   76                                       
CONECT   37   36   38   38   77                                       
CONECT   38   37   37    1   78                                       
CONECT   39    8   34   79                                            
CONECT   40    8    8                                                 
CONECT   41    3   80   81   82                                       
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
