COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.299  -2.595  -0.007  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.561  -3.241  -0.586  1.00  0.00           C  
HETATM    3  O   UNL     1     -12.637  -3.088   0.343  1.00  0.00           O  
HETATM    4  C   UNL     1     -12.932  -1.726   0.663  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.685  -1.064   1.255  1.00  0.00           C  
HETATM    6  N   UNL     1     -10.573  -1.183   0.299  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.369  -0.510   0.805  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.320  -0.437  -0.306  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.120   0.235   0.199  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.057   0.414  -0.610  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.095   0.019  -1.759  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.846   1.092  -0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.748   1.286  -0.928  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.597   1.929  -0.449  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.488   2.089  -1.412  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.732   2.430  -2.553  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.793   1.549   1.219  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.662   2.177   1.682  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.548   2.374   0.863  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.390   3.074   1.525  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.382   3.509   0.647  1.00  0.00           O  
HETATM   22  C   UNL     1       0.416   2.623   0.024  1.00  0.00           C  
HETATM   23  C   UNL     1       1.739   2.466   0.403  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.096   1.843  -1.013  1.00  0.00           C  
HETATM   25  C   UNL     1       0.693   0.880  -1.642  1.00  0.00           C  
HETATM   26  C   UNL     1       1.994   0.720  -1.251  1.00  0.00           C  
HETATM   27  C   UNL     1       2.525   1.514  -0.236  1.00  0.00           C  
HETATM   28  N   UNL     1       3.854   1.353   0.139  1.00  0.00           N  
HETATM   29  C   UNL     1       4.441   0.085   0.107  1.00  0.00           C  
HETATM   30  C   UNL     1       5.816  -0.041  -0.037  1.00  0.00           C  
HETATM   31  C   UNL     1       3.650  -1.051   0.225  1.00  0.00           C  
HETATM   32  C   UNL     1       4.229  -2.305   0.193  1.00  0.00           C  
HETATM   33  C   UNL     1       5.598  -2.434   0.043  1.00  0.00           C  
HETATM   34  F   UNL     1       6.161  -3.662   0.012  1.00  0.00           F  
HETATM   35  C   UNL     1       6.396  -1.301  -0.069  1.00  0.00           C  
HETATM   36  N   UNL     1       7.782  -1.431  -0.215  1.00  0.00           N  
HETATM   37  C   UNL     1       8.606  -0.520   0.340  1.00  0.00           C  
HETATM   38  O   UNL     1       8.145   0.455   0.900  1.00  0.00           O  
HETATM   39  C   UNL     1      10.070  -0.708   0.267  1.00  0.00           C  
HETATM   40  C   UNL     1      10.927   0.233   0.840  1.00  0.00           C  
HETATM   41  C   UNL     1      12.293   0.052   0.768  1.00  0.00           C  
HETATM   42  C   UNL     1      12.814  -1.059   0.129  1.00  0.00           C  
HETATM   43  C   UNL     1      11.970  -1.995  -0.442  1.00  0.00           C  
HETATM   44  C   UNL     1      10.602  -1.830  -0.371  1.00  0.00           C  
HETATM   45  H   UNL     1     -10.009  -3.116   0.906  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.490  -2.659  -0.735  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.820  -2.755  -1.526  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.379  -4.301  -0.762  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.231  -1.196  -0.241  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.743  -1.690   1.391  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.888  -0.011   1.447  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.417  -1.561   2.188  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.626   0.498   1.130  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.967  -1.071   1.648  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.063  -1.445  -0.631  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.723   0.125  -1.149  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.090   0.550   1.116  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.781   0.939  -1.951  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.641   1.411   1.873  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.634   2.526   2.703  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.774   3.940   2.064  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.944   2.393   2.250  1.00  0.00           H  
HETATM   63  H   UNL     1       2.156   3.079   1.189  1.00  0.00           H  
HETATM   64  H   UNL     1       0.281   0.267  -2.430  1.00  0.00           H  
HETATM   65  H   UNL     1       2.613  -0.024  -1.731  1.00  0.00           H  
HETATM   66  H   UNL     1       4.374   2.121   0.424  1.00  0.00           H  
HETATM   67  H   UNL     1       6.433   0.841  -0.125  1.00  0.00           H  
HETATM   68  H   UNL     1       2.580  -0.953   0.342  1.00  0.00           H  
HETATM   69  H   UNL     1       3.611  -3.186   0.285  1.00  0.00           H  
HETATM   70  H   UNL     1       8.149  -2.176  -0.715  1.00  0.00           H  
HETATM   71  H   UNL     1      10.522   1.101   1.339  1.00  0.00           H  
HETATM   72  H   UNL     1      12.957   0.779   1.212  1.00  0.00           H  
HETATM   73  H   UNL     1      13.884  -1.196   0.076  1.00  0.00           H  
HETATM   74  H   UNL     1      12.383  -2.860  -0.940  1.00  0.00           H  
HETATM   75  H   UNL     1       9.945  -2.564  -0.813  1.00  0.00           H  
CONECT    1    2    6   45   46                                       
CONECT    2    3    1   47   48                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   49   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    7    1                                            
CONECT    7    8    6   53   54                                       
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   57                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14   58                                       
CONECT   14   13   15   19   19                                       
CONECT   15   16   16   14   24                                       
CONECT   16   15   15                                                 
CONECT   17   12   18   18   59                                       
CONECT   18   17   17   19   60                                       
CONECT   19   14   14   18   20                                       
CONECT   20   19   21   61   62                                       
CONECT   21   20   22                                                 
CONECT   22   24   21   23   23                                       
CONECT   23   22   22   27   63                                       
CONECT   24   15   25   25   22                                       
CONECT   25   24   24   26   64                                       
CONECT   26   25   27   27   65                                       
CONECT   27   26   26   23   28                                       
CONECT   28   27   29   66                                            
CONECT   29   31   28   30   30                                       
CONECT   30   29   29   35   67                                       
CONECT   31   32   32   29   68                                       
CONECT   32   31   31   33   69                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33   30   36                                       
CONECT   36   35   37   70                                            
CONECT   37   38   38   36   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   44   44   40                                       
CONECT   40   39   41   41   71                                       
CONECT   41   40   40   42   72                                       
CONECT   42   43   43   41   73                                       
CONECT   43   44   42   42   74                                       
CONECT   44   39   39   43   75                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   36                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
