COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.245   5.406   0.526  1.00  0.00           C  
HETATM    2  O   UNL     1       4.915   5.091   0.109  1.00  0.00           O  
HETATM    3  C   UNL     1       4.580   3.775   0.055  1.00  0.00           C  
HETATM    4  C   UNL     1       5.514   2.809   0.398  1.00  0.00           C  
HETATM    5  C   UNL     1       5.180   1.472   0.346  1.00  0.00           C  
HETATM    6  C   UNL     1       3.897   1.088  -0.053  1.00  0.00           C  
HETATM    7  C   UNL     1       3.537  -0.340  -0.109  1.00  0.00           C  
HETATM    8  N   UNL     1       2.348  -0.704  -0.479  1.00  0.00           N  
HETATM    9  N   UNL     1       1.983  -2.056  -0.529  1.00  0.00           N  
HETATM   10  C   UNL     1       0.575  -2.442  -0.403  1.00  0.00           C  
HETATM   11  C   UNL     1       0.033  -1.964   0.946  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.428  -2.400   1.087  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.183  -1.910  -0.074  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.300  -1.175   0.093  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.691  -0.912   1.211  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.063  -0.679  -1.108  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.228   0.089  -0.664  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.386  -0.557  -0.458  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.437  -1.755  -0.633  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.623   0.178  -0.012  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.211   1.404   0.809  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.501   0.952   2.087  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.453   2.222   1.169  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.259   2.259  -0.034  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.095   1.410  -0.473  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.017   1.932  -0.662  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.696  -2.236  -1.421  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.232  -1.802  -1.535  1.00  0.00           C  
HETATM   29  C   UNL     1       2.936  -3.003  -0.693  1.00  0.00           C  
HETATM   30  O   UNL     1       2.639  -4.174  -0.808  1.00  0.00           O  
HETATM   31  C   UNL     1       4.374  -2.562  -0.727  1.00  0.00           C  
HETATM   32  C   UNL     1       5.326  -3.699  -0.403  1.00  0.00           C  
HETATM   33  C   UNL     1       5.328  -4.008   1.063  1.00  0.00           C  
HETATM   34  C   UNL     1       4.841  -3.217   1.964  1.00  0.00           C  
HETATM   35  C   UNL     1       4.192  -1.901   1.670  1.00  0.00           C  
HETATM   36  C   UNL     1       4.555  -1.405   0.259  1.00  0.00           C  
HETATM   37  C   UNL     1       2.956   2.062  -0.398  1.00  0.00           C  
HETATM   38  C   UNL     1       3.297   3.400  -0.338  1.00  0.00           C  
HETATM   39  O   UNL     1       2.384   4.350  -0.673  1.00  0.00           O  
HETATM   40  C   UNL     1       1.091   3.893  -1.077  1.00  0.00           C  
HETATM   41  H   UNL     1       6.411   5.020   1.532  1.00  0.00           H  
HETATM   42  H   UNL     1       6.959   4.949  -0.160  1.00  0.00           H  
HETATM   43  H   UNL     1       6.380   6.487   0.525  1.00  0.00           H  
HETATM   44  H   UNL     1       6.506   3.104   0.707  1.00  0.00           H  
HETATM   45  H   UNL     1       5.909   0.721   0.613  1.00  0.00           H  
HETATM   46  H   UNL     1       0.490  -3.527  -0.465  1.00  0.00           H  
HETATM   47  H   UNL     1       0.623  -2.402   1.751  1.00  0.00           H  
HETATM   48  H   UNL     1       0.096  -0.877   0.998  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.483  -3.488   1.126  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.848  -1.978   2.001  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.417  -0.042  -1.712  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.394  -1.529  -1.704  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.191   0.498  -0.886  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.237  -0.482   0.601  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.613   0.377   1.825  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.209   1.826   2.669  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.175   0.331   2.677  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.136   1.607   1.754  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.158   3.094   1.753  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.950   2.548   0.255  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.787   2.639  -0.908  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.894   3.095   0.563  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.773  -3.311  -1.587  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.293  -1.706  -2.164  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.167  -0.716  -1.459  1.00  0.00           H  
HETATM   66  H   UNL     1       0.170  -2.125  -2.496  1.00  0.00           H  
HETATM   67  H   UNL     1       4.606  -2.202  -1.730  1.00  0.00           H  
HETATM   68  H   UNL     1       5.020  -4.588  -0.955  1.00  0.00           H  
HETATM   69  H   UNL     1       6.334  -3.418  -0.710  1.00  0.00           H  
HETATM   70  H   UNL     1       5.760  -4.943   1.387  1.00  0.00           H  
HETATM   71  H   UNL     1       4.908  -3.526   2.996  1.00  0.00           H  
HETATM   72  H   UNL     1       3.110  -2.013   1.742  1.00  0.00           H  
HETATM   73  H   UNL     1       4.524  -1.167   2.404  1.00  0.00           H  
HETATM   74  H   UNL     1       5.575  -1.020   0.228  1.00  0.00           H  
HETATM   75  H   UNL     1       1.963   1.770  -0.707  1.00  0.00           H  
HETATM   76  H   UNL     1       0.461   4.751  -1.316  1.00  0.00           H  
HETATM   77  H   UNL     1       1.189   3.258  -1.957  1.00  0.00           H  
HETATM   78  H   UNL     1       0.637   3.323  -0.266  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1                                                 
CONECT    3    4    4   38    2                                       
CONECT    4    5    3    3   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6    7    5    5   37                                       
CONECT    7   36    8    8    6                                       
CONECT    8    9    7    7                                            
CONECT    9   29   10    8                                            
CONECT   10   11    9   28   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   27   14                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   51   52                                       
CONECT   17   16   18   25                                            
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   53   54                                       
CONECT   21   20   23   24   22                                       
CONECT   22   21   55   56   57                                       
CONECT   23   21   58   59   60                                       
CONECT   24   25   21   61   62                                       
CONECT   25   17   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   13   28   63   64                                       
CONECT   28   10   27   65   66                                       
CONECT   29   30   30   31    9                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   36   67                                       
CONECT   32   33   31   68   69                                       
CONECT   33   32   34   34   70                                       
CONECT   34   33   33   35   71                                       
CONECT   35   34   36   72   73                                       
CONECT   36   31   35    7   74                                       
CONECT   37    6   38   38   75                                       
CONECT   38   37   37    3   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   76   77   78                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
