COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.849  -1.282   0.470  1.00  0.00           C  
HETATM    2  C   UNL     1       2.097  -2.766   0.751  1.00  0.00           C  
HETATM    3  C   UNL     1       3.364  -3.213   0.015  1.00  0.00           C  
HETATM    4  C   UNL     1       3.202  -2.924  -1.480  1.00  0.00           C  
HETATM    5  C   UNL     1       2.912  -1.434  -1.675  1.00  0.00           C  
HETATM    6  C   UNL     1       2.689  -1.148  -3.162  1.00  0.00           C  
HETATM    7  O   UNL     1       2.941  -0.512   0.979  1.00  0.00           O  
HETATM    8  O   UNL     1       2.265  -2.964   2.156  1.00  0.00           O  
HETATM    9  O   UNL     1       3.562  -4.614   0.213  1.00  0.00           O  
HETATM   10  O   UNL     1       4.406  -3.270  -2.167  1.00  0.00           O  
HETATM   11  O   UNL     1       1.739  -1.078  -0.940  1.00  0.00           O  
HETATM   12  O   UNL     1       2.534   0.259  -3.358  1.00  0.00           O  
HETATM   13  C   UNL     1       1.421   1.228   1.711  1.00  0.00           C  
HETATM   14  C   UNL     1       2.714   0.899   0.961  1.00  0.00           C  
HETATM   15  C   UNL     1       3.901   1.628   1.620  1.00  0.00           C  
HETATM   16  C   UNL     1       4.426   2.575   0.514  1.00  0.00           C  
HETATM   17  C   UNL     1       3.198   2.689  -0.425  1.00  0.00           C  
HETATM   18  C   UNL     1       3.638   3.056  -1.844  1.00  0.00           C  
HETATM   19  O   UNL     1       0.305   0.717   0.980  1.00  0.00           O  
HETATM   20  O   UNL     1       4.914   0.694   2.000  1.00  0.00           O  
HETATM   21  O   UNL     1       4.773   3.851   1.057  1.00  0.00           O  
HETATM   22  O   UNL     1       2.624   1.363  -0.396  1.00  0.00           O  
HETATM   23  O   UNL     1       2.484   3.269  -2.660  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.179   1.199  -0.742  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.780   0.565  -1.959  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.215   0.307   0.351  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.638   0.404   0.449  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.248  -1.001   0.435  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.234  -0.037  -0.730  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.753   0.137  -0.677  1.00  0.00           C  
HETATM   31  P   UNL     1      -1.218   0.882   1.477  1.00  0.00           P  
HETATM   32  O   UNL     1      -1.509   2.315   1.708  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.426   0.064   2.848  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.806  -1.726   1.584  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.775  -0.882   0.461  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.357  -2.184   0.376  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.195   0.826  -1.848  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.606   1.245  -0.673  1.00  0.00           O  
HETATM   39  H   UNL     1       0.926  -0.969   0.956  1.00  0.00           H  
HETATM   40  H   UNL     1       1.246  -3.350   0.399  1.00  0.00           H  
HETATM   41  H   UNL     1       4.223  -2.664   0.402  1.00  0.00           H  
HETATM   42  H   UNL     1       2.374  -3.511  -1.877  1.00  0.00           H  
HETATM   43  H   UNL     1       3.758  -0.848  -1.315  1.00  0.00           H  
HETATM   44  H   UNL     1       3.547  -1.502  -3.732  1.00  0.00           H  
HETATM   45  H   UNL     1       1.790  -1.663  -3.500  1.00  0.00           H  
HETATM   46  H   UNL     1       1.501  -2.697   2.685  1.00  0.00           H  
HETATM   47  H   UNL     1       3.666  -4.870   1.140  1.00  0.00           H  
HETATM   48  H   UNL     1       4.654  -4.201  -2.082  1.00  0.00           H  
HETATM   49  H   UNL     1       2.389   0.514  -4.279  1.00  0.00           H  
HETATM   50  H   UNL     1       1.448   0.770   2.700  1.00  0.00           H  
HETATM   51  H   UNL     1       1.326   2.309   1.813  1.00  0.00           H  
HETATM   52  H   UNL     1       3.566   2.200   2.484  1.00  0.00           H  
HETATM   53  H   UNL     1       5.275   2.132  -0.008  1.00  0.00           H  
HETATM   54  H   UNL     1       2.489   3.423  -0.043  1.00  0.00           H  
HETATM   55  H   UNL     1       4.235   3.967  -1.816  1.00  0.00           H  
HETATM   56  H   UNL     1       4.233   2.244  -2.262  1.00  0.00           H  
HETATM   57  H   UNL     1       5.685   1.098   2.420  1.00  0.00           H  
HETATM   58  H   UNL     1       5.108   4.479   0.402  1.00  0.00           H  
HETATM   59  H   UNL     1       2.687   3.505  -3.575  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.781   2.213  -0.713  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.089   1.016  -2.757  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.905   0.909   1.377  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.938  -1.525  -0.469  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.957  -0.537  -1.658  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.230  -0.843  -0.631  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.023   0.714   0.207  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.253  -0.884   2.770  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.155  -2.626   1.640  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.087  -0.403   1.390  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.324  -2.184   0.382  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.150   0.972  -1.883  1.00  0.00           H  
CONECT    1    2    7   11   39                                       
CONECT    2    1    3    8   40                                       
CONECT    3    2    4    9   41                                       
CONECT    4    3    5   10   42                                       
CONECT    5    4    6   11   43                                       
CONECT    6    5   12   44   45                                       
CONECT    7    1   14                                                 
CONECT    8    2   46                                                 
CONECT    9    3   47                                                 
CONECT   10    4   48                                                 
CONECT   11    1    5                                                 
CONECT   12    6   49                                                 
CONECT   13   14   19   50   51                                       
CONECT   14   13   15   22    7                                       
CONECT   15   14   16   20   52                                       
CONECT   16   15   17   21   53                                       
CONECT   17   16   18   22   54                                       
CONECT   18   17   23   55   56                                       
CONECT   19   13   31                                                 
CONECT   20   15   57                                                 
CONECT   21   16   58                                                 
CONECT   22   14   17                                                 
CONECT   23   18   59                                                 
CONECT   24   38   25   27   60                                       
CONECT   25   24   61                                                 
CONECT   26   27   31                                                 
CONECT   27   24   28   26   62                                       
CONECT   28   35   27   34   63                                       
CONECT   29   30   38   35   64                                       
CONECT   30   37   29   65   66                                       
CONECT   31   26   32   32   33                                       
CONECT   31   19                                                      
CONECT   32   31   31                                                 
CONECT   33   31   67                                                 
CONECT   34   28   68                                                 
CONECT   35   29   36   28   69                                       
CONECT   36   35   70                                                 
CONECT   37   30   71                                                 
CONECT   38   29   24                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
