COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.819   4.313  -1.379  1.00  0.00           C  
HETATM    2  C   UNL     1       1.522   3.847  -2.650  1.00  0.00           C  
HETATM    3  C   UNL     1       0.581   2.833  -2.813  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.052   2.296  -1.705  1.00  0.00           C  
HETATM    5  C   UNL     1       1.641   3.120  -4.758  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.674  -1.788  -0.162  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.510  -0.859   0.242  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.874  -0.035   1.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.592  -0.470   1.226  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.465  -1.576   0.434  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.255  -2.384   0.257  1.00  0.00           C  
HETATM   12  C   UNL     1       0.612  -1.770  -0.843  1.00  0.00           C  
HETATM   13  C   UNL     1       1.875  -2.614  -1.028  1.00  0.00           C  
HETATM   14  C   UNL     1       2.742  -2.000  -2.128  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.517   0.150   2.082  1.00  0.00           C  
HETATM   16  N   UNL     1       0.323   1.026   1.254  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.442   2.180   0.764  1.00  0.00           C  
HETATM   18  C   UNL     1       0.249   2.766  -0.440  1.00  0.00           C  
HETATM   19  C   UNL     1       1.183   3.772  -0.278  1.00  0.00           C  
HETATM   20  O   UNL     1       0.468   2.554  -4.145  1.00  0.00           O  
HETATM   21  O   UNL     1       1.998   4.203  -3.879  1.00  0.00           O  
HETATM   22  C   UNL     1       1.517   1.460   1.992  1.00  0.00           C  
HETATM   23  C   UNL     1       2.503   0.323   2.066  1.00  0.00           C  
HETATM   24  C   UNL     1       3.470   0.184   1.089  1.00  0.00           C  
HETATM   25  C   UNL     1       4.378  -0.861   1.156  1.00  0.00           C  
HETATM   26  O   UNL     1       5.410  -1.217   0.336  1.00  0.00           O  
HETATM   27  C   UNL     1       5.717  -2.582   0.676  1.00  0.00           C  
HETATM   28  O   UNL     1       5.304  -2.694   2.051  1.00  0.00           O  
HETATM   29  C   UNL     1       4.313  -1.769   2.210  1.00  0.00           C  
HETATM   30  C   UNL     1       3.340  -1.623   3.186  1.00  0.00           C  
HETATM   31  C   UNL     1       2.441  -0.575   3.116  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.469   1.143   1.773  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.293   2.016   1.066  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.843   3.110   1.702  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.577   3.342   3.039  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.759   2.479   3.747  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.209   1.378   3.122  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.993  -2.886  -1.100  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.319  -3.268  -1.308  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.610  -4.292  -2.185  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.590  -4.941  -2.859  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.273  -4.567  -2.657  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.969  -3.540  -1.787  1.00  0.00           C  
HETATM   44  H   UNL     1       2.551   5.096  -1.249  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.782   1.510  -1.829  1.00  0.00           H  
HETATM   46  H   UNL     1       2.444   2.383  -4.802  1.00  0.00           H  
HETATM   47  H   UNL     1       1.410   3.496  -5.754  1.00  0.00           H  
HETATM   48  H   UNL     1       0.306  -2.407   1.192  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.535  -3.399  -0.024  1.00  0.00           H  
HETATM   50  H   UNL     1       0.051  -1.747  -1.778  1.00  0.00           H  
HETATM   51  H   UNL     1       0.891  -0.754  -0.562  1.00  0.00           H  
HETATM   52  H   UNL     1       2.436  -2.637  -0.093  1.00  0.00           H  
HETATM   53  H   UNL     1       1.596  -3.629  -1.309  1.00  0.00           H  
HETATM   54  H   UNL     1       2.181  -1.977  -3.062  1.00  0.00           H  
HETATM   55  H   UNL     1       3.022  -0.984  -1.847  1.00  0.00           H  
HETATM   56  H   UNL     1       3.642  -2.601  -2.259  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.979   0.735   2.877  1.00  0.00           H  
HETATM   58  H   UNL     1       0.098  -0.637   2.519  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.446   1.859   0.486  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.506   2.933   1.549  1.00  0.00           H  
HETATM   61  H   UNL     1       1.419   4.134   0.712  1.00  0.00           H  
HETATM   62  H   UNL     1       1.974   2.305   1.477  1.00  0.00           H  
HETATM   63  H   UNL     1       1.231   1.761   3.000  1.00  0.00           H  
HETATM   64  H   UNL     1       3.518   0.889   0.273  1.00  0.00           H  
HETATM   65  H   UNL     1       5.149  -3.270   0.048  1.00  0.00           H  
HETATM   66  H   UNL     1       6.786  -2.770   0.578  1.00  0.00           H  
HETATM   67  H   UNL     1       3.287  -2.326   4.004  1.00  0.00           H  
HETATM   68  H   UNL     1       1.684  -0.463   3.877  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.501   1.837   0.021  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.482   3.787   1.154  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.009   4.200   3.533  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.555   2.665   4.791  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.575   0.703   3.677  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.116  -2.763  -0.782  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.635  -4.589  -2.346  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.822  -5.742  -3.544  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.481  -5.077  -3.186  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.942  -3.246  -1.634  1.00  0.00           H  
CONECT    1    2   19   19   44                                       
CONECT    2   21    3    3    1                                       
CONECT    3   20    2    2    4                                       
CONECT    4    3   18   18   45                                       
CONECT    5   21   20   46   47                                       
CONECT    6   38    7    7   10                                       
CONECT    7    6    6    8                                            
CONECT    8    7   32    9    9                                       
CONECT    9    8    8   10   15                                       
CONECT   10    6    9   11                                            
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   54   55   56                                       
CONECT   15   16    9   57   58                                       
CONECT   16   17   22   15                                            
CONECT   17   18   16   59   60                                       
CONECT   18    4    4   19   17                                       
CONECT   19    1    1   18   61                                       
CONECT   20    5    3                                                 
CONECT   21    5    2                                                 
CONECT   22   16   23   62   63                                       
CONECT   23   31   22   24   24                                       
CONECT   24   23   23   25   64                                       
CONECT   25   29   29   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   28   26   65   66                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   25   25                                       
CONECT   30   31   31   29   67                                       
CONECT   31   30   30   23   68                                       
CONECT   32   33    8   37   37                                       
CONECT   33   34   34   32   69                                       
CONECT   34   33   33   35   70                                       
CONECT   35   34   36   36   71                                       
CONECT   36   35   35   37   72                                       
CONECT   37   32   32   36   73                                       
CONECT   38   39    6   43   43                                       
CONECT   39   40   40   38   74                                       
CONECT   40   39   39   41   75                                       
CONECT   41   40   42   42   76                                       
CONECT   42   41   41   43   77                                       
CONECT   43   38   38   42   78                                       
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
