COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.022  -0.885   3.549  1.00  0.00           C  
HETATM    2  C   UNL     1       2.021  -0.021   2.283  1.00  0.00           C  
HETATM    3  C   UNL     1       3.307  -0.236   1.527  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.765   0.086  -7.314  1.00  0.00           O  
HETATM    5  O   UNL     1       1.656  -0.346   6.191  1.00  0.00           O  
HETATM    6  C   UNL     1       6.718   1.240   1.631  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.339  -0.017   2.143  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.494  -0.880   3.399  1.00  0.00           C  
HETATM    9  C   UNL     1       0.959   0.447   0.233  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.151   0.049  -0.739  1.00  0.00           C  
HETATM   11  C   UNL     1       0.065   0.757  -2.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.931   0.219  -3.107  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.352   0.608  -2.693  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.333   0.077  -3.706  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.802  -1.218  -3.600  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.665   0.399  -5.669  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.768   0.887  -4.737  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.623   0.807  -4.460  1.00  0.00           C  
HETATM   19  C   UNL     1       0.501   0.721  -6.619  1.00  0.00           C  
HETATM   20  C   UNL     1       0.190  -1.150  -8.123  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.511  -0.013   7.683  1.00  0.00           C  
HETATM   22  C   UNL     1       1.910   0.251  -7.036  1.00  0.00           C  
HETATM   23  C   UNL     1       0.642  -0.464   5.535  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.501  -0.961   8.887  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.738  -0.774   9.484  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.285   0.494   9.517  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.463   1.378   8.418  1.00  0.00           C  
HETATM   28  N   UNL     1       0.720  -0.732   4.217  1.00  0.00           N  
HETATM   29  O   UNL     1       3.361  -1.068   0.647  1.00  0.00           O  
HETATM   30  N   UNL     1       4.397   0.496   1.830  1.00  0.00           N  
HETATM   31  C   UNL     1       5.647   0.288   1.095  1.00  0.00           C  
HETATM   32  C   UNL     1       6.112  -1.158   1.280  1.00  0.00           C  
HETATM   33  C   UNL     1       5.417   0.564  -0.391  1.00  0.00           C  
HETATM   34  N   UNL     1       0.886  -0.397   1.432  1.00  0.00           N  
HETATM   35  O   UNL     1      -1.418   0.429  -0.198  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.702  -1.705  -4.529  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.134  -0.897  -5.563  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.035   1.911  -4.749  1.00  0.00           O  
HETATM   39  N   UNL     1       0.109   0.107  -5.348  1.00  0.00           N  
HETATM   40  C   UNL     1      -0.417   0.228  -7.766  1.00  0.00           C  
HETATM   41  C   UNL     1       1.713  -0.938  -7.992  1.00  0.00           C  
HETATM   42  C   UNL     1       2.700  -0.192  -5.803  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.703  -0.311   6.195  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.857   0.139   8.343  1.00  0.00           C  
HETATM   45  N   UNL     1      -3.644   1.519   8.989  1.00  0.00           N  
HETATM   46  H   UNL     1       2.819  -0.556   4.216  1.00  0.00           H  
HETATM   47  H   UNL     1       2.176  -1.930   3.279  1.00  0.00           H  
HETATM   48  H   UNL     1       1.934   1.028   2.561  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.266  -0.298  -8.046  1.00  0.00           H  
HETATM   50  H   UNL     1       7.649   1.084   1.084  1.00  0.00           H  
HETATM   51  H   UNL     1       6.387   2.270   1.499  1.00  0.00           H  
HETATM   52  H   UNL     1       6.882   1.043   2.690  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.282   1.033   2.429  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.199  -0.168   1.490  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.362  -0.548   3.968  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.618  -1.925   3.113  1.00  0.00           H  
HETATM   57  H   UNL     1       1.928   0.314  -0.246  1.00  0.00           H  
HETATM   58  H   UNL     1       0.835   1.492   0.518  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.130  -1.030  -0.892  1.00  0.00           H  
HETATM   60  H   UNL     1       1.081   0.574  -2.426  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.087   1.829  -1.950  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.851  -0.866  -3.156  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.574   0.183  -1.714  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.431   1.694  -2.644  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.465  -1.850  -2.791  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.002   1.030  -6.478  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.402   1.900  -4.820  1.00  0.00           H  
HETATM   68  H   UNL     1       0.468   1.808  -6.544  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.069  -1.428  -9.145  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.150  -1.911  -7.421  1.00  0.00           H  
HETATM   71  H   UNL     1       0.031  -0.834   8.151  1.00  0.00           H  
HETATM   72  H   UNL     1       0.056   0.910   7.798  1.00  0.00           H  
HETATM   73  H   UNL     1       2.437   1.057  -7.547  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.050  -1.942   8.847  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.268  -1.609   9.918  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.248   0.649   9.979  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.968   2.241   7.996  1.00  0.00           H  
HETATM   78  H   UNL     1       4.353   1.162   2.534  1.00  0.00           H  
HETATM   79  H   UNL     1       6.276  -1.354   2.339  1.00  0.00           H  
HETATM   80  H   UNL     1       5.348  -1.836   0.898  1.00  0.00           H  
HETATM   81  H   UNL     1       7.042  -1.313   0.733  1.00  0.00           H  
HETATM   82  H   UNL     1       5.086   1.594  -0.522  1.00  0.00           H  
HETATM   83  H   UNL     1       6.347   0.408  -0.938  1.00  0.00           H  
HETATM   84  H   UNL     1       4.654  -0.114  -0.773  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.394   1.388  -0.079  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.069  -2.718  -4.446  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.837  -1.278  -6.290  1.00  0.00           H  
HETATM   88  H   UNL     1       0.377  -0.802  -5.146  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.366   0.906  -8.618  1.00  0.00           H  
HETATM   90  H   UNL     1       2.143  -0.708  -8.967  1.00  0.00           H  
HETATM   91  H   UNL     1       2.180  -1.831  -7.578  1.00  0.00           H  
HETATM   92  H   UNL     1       3.689  -0.534  -6.109  1.00  0.00           H  
HETATM   93  H   UNL     1       2.803   0.646  -5.116  1.00  0.00           H  
HETATM   94  H   UNL     1       2.172  -1.006  -5.307  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.246   0.509   5.727  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.271  -1.235   6.080  1.00  0.00           H  
CONECT    1    2   28   46   47                                       
CONECT    2    1    3   34   48                                       
CONECT    3    2   29   29   30                                       
CONECT    4   40   49                                                 
CONECT    5   23   23                                                 
CONECT    6   31   50   51   52                                       
CONECT    7    8   34   53   54                                       
CONECT    8    7   28   55   56                                       
CONECT    9   10   34   57   58                                       
CONECT   10    9   11   35   59                                       
CONECT   11   10   12   60   61                                       
CONECT   12   11   13   18   62                                       
CONECT   13   12   14   63   64                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   36   65                                       
CONECT   16   17   17   37   66                                       
CONECT   17   14   16   16   67                                       
CONECT   18   12   38   38   39                                       
CONECT   19   22   39   40   68                                       
CONECT   20   40   41   69   70                                       
CONECT   21   43   44   71   72                                       
CONECT   22   19   41   42   73                                       
CONECT   23    5    5   28   43                                       
CONECT   24   25   25   44   74                                       
CONECT   25   24   24   26   75                                       
CONECT   26   25   45   45   76                                       
CONECT   27   44   44   45   77                                       
CONECT   28    1    8   23                                            
CONECT   29    3    3                                                 
CONECT   30    3   31   78                                            
CONECT   31    6   30   32   33                                       
CONECT   32   31   79   80   81                                       
CONECT   33   31   82   83   84                                       
CONECT   34    2    7    9                                            
CONECT   35   10   85                                                 
CONECT   36   15   37   37   86                                       
CONECT   37   16   36   36   87                                       
CONECT   38   18   18                                                 
CONECT   39   18   19   88                                            
CONECT   40    4   19   20   89                                       
CONECT   41   20   22   90   91                                       
CONECT   42   22   92   93   94                                       
CONECT   43   21   23   95   96                                       
CONECT   44   21   24   27   27                                       
CONECT   45   26   26   27                                            
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
