COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.864   1.872   0.360  1.00  0.00           C  
HETATM    2  C   UNL     1       5.625   1.093   0.134  1.00  0.00           C  
HETATM    3  C   UNL     1       5.727   0.847  -1.226  1.00  0.00           C  
HETATM    4  C   UNL     1       3.340   0.727  -1.407  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.179  -1.401  -2.730  1.00  0.00           O  
HETATM    6  C   UNL     1       3.220   0.968  -0.036  1.00  0.00           C  
HETATM    7  C   UNL     1       4.372   1.152   0.739  1.00  0.00           C  
HETATM    8  C   UNL     1       1.887   1.029   0.593  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.544   0.912   0.469  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.213  -4.639   0.213  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.292   2.683  -1.114  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.305  -0.741  -1.725  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.252  -1.284  -0.705  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.543  -2.388   0.107  1.00  0.00           C  
HETATM   15  C   UNL     1       4.587   0.665  -1.991  1.00  0.00           C  
HETATM   16  N   UNL     1       6.784   1.276   0.902  1.00  0.00           N  
HETATM   17  N   UNL     1       0.780   0.852  -0.155  1.00  0.00           N  
HETATM   18  O   UNL     1       7.859   2.189  -0.811  1.00  0.00           O  
HETATM   19  O   UNL     1       4.268   1.387   2.072  1.00  0.00           O  
HETATM   20  O   UNL     1       1.786   1.239   1.786  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.593   1.282  -0.579  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.596   0.354  -1.672  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.106  -0.588   1.614  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.632  -1.960   1.598  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.085  -1.982   2.076  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.894  -0.437   1.044  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.690  -0.160   0.236  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.529   0.857  -0.541  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.967   1.982   0.400  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.112  -1.356   0.994  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.154  -2.490  -0.301  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.806   2.999  -0.377  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.244   4.123   0.563  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.083   5.140  -0.213  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.577  -3.699  -0.201  1.00  0.00           C  
HETATM   36  C   UNL     1       0.863  -3.882  -0.605  1.00  0.00           C  
HETATM   37  C   UNL     1       1.752  -2.977   0.249  1.00  0.00           C  
HETATM   38  C   UNL     1       1.270  -5.342  -0.395  1.00  0.00           C  
HETATM   39  H   UNL     1       8.733   2.072   0.970  1.00  0.00           H  
HETATM   40  H   UNL     1       6.700   0.798  -1.692  1.00  0.00           H  
HETATM   41  H   UNL     1       2.454   0.584  -2.009  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.540   1.659   1.263  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.301   2.694  -1.567  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.037   2.954  -1.862  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.325   3.400  -0.294  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.126  -1.702  -1.204  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.049  -3.342  -0.039  1.00  0.00           H  
HETATM   48  H   UNL     1       4.675   0.474  -3.050  1.00  0.00           H  
HETATM   49  H   UNL     1       0.860   0.684  -1.108  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.578   1.283  -0.112  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.016  -2.611   2.218  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.284  -2.920   2.593  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.256  -1.148   2.757  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.751  -1.892   1.217  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.285  -0.576   1.049  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.809   0.334   0.647  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.934   1.274  -1.353  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.410   0.363  -0.951  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.562   1.565   1.212  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.086   2.476   0.810  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.211   3.415  -1.190  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.687   2.505  -0.788  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.839   3.706   1.376  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.363   4.617   0.974  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.488   5.557  -1.026  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.964   4.646  -0.624  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.395   5.941   0.457  1.00  0.00           H  
HETATM   68  H   UNL     1       0.981  -3.620  -1.657  1.00  0.00           H  
HETATM   69  H   UNL     1       1.634  -3.239   1.300  1.00  0.00           H  
HETATM   70  H   UNL     1       2.794  -3.109  -0.043  1.00  0.00           H  
HETATM   71  H   UNL     1       1.462  -1.936   0.099  1.00  0.00           H  
HETATM   72  H   UNL     1       0.636  -5.987  -1.004  1.00  0.00           H  
HETATM   73  H   UNL     1       2.311  -5.475  -0.688  1.00  0.00           H  
HETATM   74  H   UNL     1       1.151  -5.604   0.656  1.00  0.00           H  
HETATM   75  H   UNL     1       6.808   0.973   1.823  1.00  0.00           H  
HETATM   76  H   UNL     1       4.204   2.324   2.302  1.00  0.00           H  
CONECT    1   18   18   16   39                                       
CONECT    2    3   16    7    7                                       
CONECT    3   15   15    2   40                                       
CONECT    4   15    6    6   41                                       
CONECT    5   12   12                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    2    2    6   19                                       
CONECT    8    6   17   20   20                                       
CONECT    9   17   21   26   42                                       
CONECT   10   35   35                                                 
CONECT   11   21   43   44   45                                       
CONECT   12    5    5   22   13                                       
CONECT   13   12   27   14   46                                       
CONECT   14   13   24   31   47                                       
CONECT   15    3    3    4   48                                       
CONECT   16    1    2   75                                            
CONECT   17    8    9   49                                            
CONECT   18    1    1                                                 
CONECT   19    7   76                                                 
CONECT   20    8    8                                                 
CONECT   21   11    9   22   50                                       
CONECT   22   21   12                                                 
CONECT   23   26   24                                                 
CONECT   24   23   14   25   51                                       
CONECT   25   24   52   53   54                                       
CONECT   26    9   23   30   30                                       
CONECT   27   28   13   55   56                                       
CONECT   28   29   27   57   58                                       
CONECT   29   28   32   59   60                                       
CONECT   30   26   26                                                 
CONECT   31   14   35                                                 
CONECT   32   29   33   61   62                                       
CONECT   33   32   34   63   64                                       
CONECT   34   33   65   66   67                                       
CONECT   35   10   10   31   36                                       
CONECT   36   35   37   38   68                                       
CONECT   37   36   69   70   71                                       
CONECT   38   36   72   73   74                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   16                                                      
CONECT   76   19                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
