COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.031  -0.041  -0.128  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.167   1.722  -0.325  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.858   2.184  -0.429  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.109   0.270  -0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.743   0.944  -0.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.430   0.396  -0.124  1.00  0.00           C  
HETATM    7  O   UNL     1     -15.946   0.317  -0.289  1.00  0.00           O  
HETATM    8  P   UNL     1     -14.878   1.503  -0.080  1.00  0.00           P  
HETATM    9  O   UNL     1     -15.120   1.904   1.460  1.00  0.00           O  
HETATM   10  O   UNL     1     -13.489   0.693   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1     -12.212   1.323  -0.127  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.713  -0.040  -0.025  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.802   1.329  -0.334  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.961  -0.955  -0.031  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.679  -0.520  -0.130  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.649  -1.505  -0.021  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.282  -0.831  -0.157  1.00  0.00           C  
HETATM   18  C   UNL     1       0.820  -1.885  -0.040  1.00  0.00           C  
HETATM   19  O   UNL     1       2.097  -1.256  -0.167  1.00  0.00           O  
HETATM   20  P   UNL     1       3.486  -2.067  -0.093  1.00  0.00           P  
HETATM   21  O   UNL     1       3.585  -3.076  -1.343  1.00  0.00           O  
HETATM   22  O   UNL     1       3.540  -2.838   1.169  1.00  0.00           O  
HETATM   23  O   UNL     1       4.716  -1.030  -0.142  1.00  0.00           O  
HETATM   24  C   UNL     1       6.079  -1.431   0.010  1.00  0.00           C  
HETATM   25  C   UNL     1       6.987  -0.203  -0.088  1.00  0.00           C  
HETATM   26  C   UNL     1       8.446  -0.633   0.074  1.00  0.00           C  
HETATM   27  O   UNL     1       9.293   0.513  -0.017  1.00  0.00           O  
HETATM   28  C   UNL     1      10.630   0.304   0.107  1.00  0.00           C  
HETATM   29  C   UNL     1      11.113  -0.958   0.309  1.00  0.00           C  
HETATM   30  C   UNL     1      12.479  -1.189   0.439  1.00  0.00           C  
HETATM   31  C   UNL     1      13.374  -0.165   0.368  1.00  0.00           C  
HETATM   32  C   UNL     1      12.917   1.147   0.161  1.00  0.00           C  
HETATM   33  C   UNL     1      13.816   2.231   0.082  1.00  0.00           C  
HETATM   34  O   UNL     1      15.152   2.022   0.207  1.00  0.00           O  
HETATM   35  C   UNL     1      13.333   3.493  -0.120  1.00  0.00           C  
HETATM   36  C   UNL     1      11.966   3.723  -0.251  1.00  0.00           C  
HETATM   37  C   UNL     1      11.072   2.700  -0.180  1.00  0.00           C  
HETATM   38  C   UNL     1      11.528   1.387   0.022  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.224  -2.282   0.164  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.534  -2.744   0.269  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.589  -1.888   0.179  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.361  -0.517  -0.021  1.00  0.00           C  
HETATM   43  H   UNL     1      -7.986   2.421  -0.404  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.677   3.236  -0.588  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.228  -0.474  -0.792  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.179  -0.217   0.968  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.673   1.431  -1.113  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.624   1.688   0.648  1.00  0.00           H  
HETATM   49  H   UNL     1     -16.861   0.620  -0.361  1.00  0.00           H  
HETATM   50  H   UNL     1     -14.552   2.621   1.775  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.094   2.067   0.661  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.142   1.810  -1.100  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.793   1.703  -0.417  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.717  -1.996   0.949  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.769  -2.245  -0.812  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.214  -0.340  -1.127  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.162  -0.091   0.635  1.00  0.00           H  
HETATM   58  H   UNL     1       0.752  -2.377   0.931  1.00  0.00           H  
HETATM   59  H   UNL     1       0.700  -2.625  -0.831  1.00  0.00           H  
HETATM   60  H   UNL     1       3.555  -2.639  -2.205  1.00  0.00           H  
HETATM   61  H   UNL     1       6.212  -1.905   0.982  1.00  0.00           H  
HETATM   62  H   UNL     1       6.339  -2.139  -0.778  1.00  0.00           H  
HETATM   63  H   UNL     1       6.853   0.271  -1.060  1.00  0.00           H  
HETATM   64  H   UNL     1       6.727   0.504   0.700  1.00  0.00           H  
HETATM   65  H   UNL     1       8.579  -1.107   1.047  1.00  0.00           H  
HETATM   66  H   UNL     1       8.706  -1.341  -0.713  1.00  0.00           H  
HETATM   67  H   UNL     1      10.424  -1.788   0.370  1.00  0.00           H  
HETATM   68  H   UNL     1      12.835  -2.196   0.598  1.00  0.00           H  
HETATM   69  H   UNL     1      14.431  -0.361   0.471  1.00  0.00           H  
HETATM   70  H   UNL     1      15.603   1.845  -0.631  1.00  0.00           H  
HETATM   71  H   UNL     1      14.022   4.323  -0.180  1.00  0.00           H  
HETATM   72  H   UNL     1      11.610   4.731  -0.406  1.00  0.00           H  
HETATM   73  H   UNL     1      10.014   2.896  -0.282  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.405  -2.982   0.238  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.715  -3.797   0.422  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.599  -2.263   0.262  1.00  0.00           H  
CONECT    1   14   13   13   42                                       
CONECT    2    3    3    6   43                                       
CONECT    3   13    2    2   44                                       
CONECT    4    5   11   45   46                                       
CONECT    5   12    4   47   48                                       
CONECT    6   42   42    2   12                                       
CONECT    7    8   49                                                 
CONECT    8   10    9    7                                            
CONECT    9    8   50                                                 
CONECT   10   11    8                                                 
CONECT   11    4   10   51   52                                       
CONECT   12    6    5                                                 
CONECT   13    1    1    3   53                                       
CONECT   14   15   39   39    1                                       
CONECT   15   16   14                                                 
CONECT   16   17   15   54   55                                       
CONECT   17   18   16   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   20                                                 
CONECT   20   22   22   19   21                                       
CONECT   20   23                                                      
CONECT   21   20   60                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   61   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   25   27   65   66                                       
CONECT   27   26   28                                                 
CONECT   28   27   38   38   29                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   31   68                                       
CONECT   31   32   32   30   69                                       
CONECT   32   38   33   31   31                                       
CONECT   33   35   35   32   34                                       
CONECT   34   33   70                                                 
CONECT   35   36   33   33   71                                       
CONECT   36   37   37   35   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   28   28   32                                       
CONECT   39   14   14   40   74                                       
CONECT   40   39   41   41   75                                       
CONECT   41   40   40   42   76                                       
CONECT   42    1   41    6    6                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
