COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       2.863   0.457   2.646  1.00  0.00           O  
HETATM    2  C   UNL     1       2.696   1.008   1.576  1.00  0.00           C  
HETATM    3  C   UNL     1       3.493   2.205   1.226  1.00  0.00           C  
HETATM    4  C   UNL     1       4.434   2.697   2.128  1.00  0.00           C  
HETATM    5  C   UNL     1       5.173   3.819   1.787  1.00  0.00           C  
HETATM    6  C   UNL     1       4.945   4.410   0.554  1.00  0.00           C  
HETATM    7  C   UNL     1       3.994   3.868  -0.294  1.00  0.00           C  
HETATM    8  C   UNL     1       3.743   4.507  -1.636  1.00  0.00           C  
HETATM    9  N   UNL     1       3.310   2.799   0.052  1.00  0.00           N  
HETATM   10  N   UNL     1       1.788   0.524   0.704  1.00  0.00           N  
HETATM   11  C   UNL     1       1.605   1.163  -0.521  1.00  0.00           C  
HETATM   12  C   UNL     1       1.098   2.449  -0.614  1.00  0.00           C  
HETATM   13  C   UNL     1       0.887   3.008  -1.863  1.00  0.00           C  
HETATM   14  C   UNL     1       1.026  -0.650   1.051  1.00  0.00           C  
HETATM   15  C   UNL     1       1.284  -1.879   0.199  1.00  0.00           C  
HETATM   16  S   UNL     1       0.597  -3.365   0.895  1.00  0.00           S  
HETATM   17  O   UNL     1      -0.765  -3.042   1.137  1.00  0.00           O  
HETATM   18  O   UNL     1       1.474  -3.688   1.966  1.00  0.00           O  
HETATM   19  C   UNL     1       0.734  -4.594  -0.431  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -4.436  -1.026  1.00  0.00           C  
HETATM   21  C   UNL     1       3.182  -4.420   0.096  1.00  0.00           C  
HETATM   22  C   UNL     1       2.434  -5.591  -1.986  1.00  0.00           C  
HETATM   23  C   UNL     1       2.177  -3.122  -1.777  1.00  0.00           C  
HETATM   24  C   UNL     1       1.951  -1.896  -0.920  1.00  0.00           C  
HETATM   25  N   UNL     1       2.537  -0.768  -1.488  1.00  0.00           N  
HETATM   26  C   UNL     1       1.936   0.460  -1.668  1.00  0.00           C  
HETATM   27  C   UNL     1       1.703   1.010  -2.920  1.00  0.00           C  
HETATM   28  O   UNL     1       1.987   0.302  -4.046  1.00  0.00           O  
HETATM   29  C   UNL     1       1.175   2.292  -3.010  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.439  -0.307   0.951  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.049   0.417   1.961  1.00  0.00           C  
HETATM   32  F   UNL     1      -0.333   0.815   3.035  1.00  0.00           F  
HETATM   33  C   UNL     1      -2.394   0.733   1.871  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.128   0.323   0.768  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.512  -0.402  -0.243  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.169  -0.711  -0.151  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.448   0.632   0.676  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.141   0.177  -0.488  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.583   0.609  -0.414  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.968   1.827  -0.943  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.290   2.224  -0.876  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.229   1.402  -0.280  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.844   0.184   0.249  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.523  -0.214   0.177  1.00  0.00           C  
HETATM   45  H   UNL     1       4.585   2.210   3.081  1.00  0.00           H  
HETATM   46  H   UNL     1       5.909   4.223   2.466  1.00  0.00           H  
HETATM   47  H   UNL     1       5.504   5.286   0.258  1.00  0.00           H  
HETATM   48  H   UNL     1       4.401   4.059  -2.381  1.00  0.00           H  
HETATM   49  H   UNL     1       2.705   4.347  -1.926  1.00  0.00           H  
HETATM   50  H   UNL     1       3.942   5.577  -1.571  1.00  0.00           H  
HETATM   51  H   UNL     1       0.868   3.010   0.280  1.00  0.00           H  
HETATM   52  H   UNL     1       0.494   4.011  -1.942  1.00  0.00           H  
HETATM   53  H   UNL     1       1.242  -0.902   2.089  1.00  0.00           H  
HETATM   54  H   UNL     1       0.611  -5.598  -0.024  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.019  -4.405  -1.195  1.00  0.00           H  
HETATM   56  H   UNL     1       3.130  -5.356   0.653  1.00  0.00           H  
HETATM   57  H   UNL     1       4.178  -4.307  -0.333  1.00  0.00           H  
HETATM   58  H   UNL     1       2.980  -3.586   0.767  1.00  0.00           H  
HETATM   59  H   UNL     1       1.699  -5.588  -2.792  1.00  0.00           H  
HETATM   60  H   UNL     1       3.433  -5.473  -2.405  1.00  0.00           H  
HETATM   61  H   UNL     1       2.375  -6.536  -1.446  1.00  0.00           H  
HETATM   62  H   UNL     1       3.149  -3.028  -2.263  1.00  0.00           H  
HETATM   63  H   UNL     1       1.411  -3.147  -2.551  1.00  0.00           H  
HETATM   64  H   UNL     1       3.456  -0.854  -1.787  1.00  0.00           H  
HETATM   65  H   UNL     1       1.252  -0.239  -4.367  1.00  0.00           H  
HETATM   66  H   UNL     1       0.989   2.730  -3.979  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.871   1.297   2.658  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.082  -0.722  -1.102  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.689  -1.272  -0.940  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.679   0.606  -1.377  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.090  -0.910  -0.540  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.234   2.469  -1.409  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.590   3.176  -1.288  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.262   1.712  -0.226  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.577  -0.458   0.715  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.223  -1.168   0.586  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   46                                       
CONECT    6    5    5    7   47                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   48   49   50                                       
CONECT    9    3    7    7                                            
CONECT   10    2   11   14                                            
CONECT   11   10   12   12   26                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   29   29   52                                       
CONECT   14   10   15   30   53                                       
CONECT   15   14   16   24   24                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   20   54   55                                       
CONECT   20   19   21   22   23                                       
CONECT   21   20   56   57   58                                       
CONECT   22   20   59   60   61                                       
CONECT   23   20   24   62   63                                       
CONECT   24   15   15   23   25                                       
CONECT   25   24   26   64                                            
CONECT   26   11   25   27   27                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27   65                                                 
CONECT   29   13   13   27   66                                       
CONECT   30   14   31   31   36                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31                                                      
CONECT   33   31   34   34   67                                       
CONECT   34   33   33   35   37                                       
CONECT   35   34   36   36   68                                       
CONECT   36   30   35   35   69                                       
CONECT   37   34   38                                                 
CONECT   38   37   39   70   71                                       
CONECT   39   38   40   40   44                                       
CONECT   40   39   39   41   72                                       
CONECT   41   40   42   42   73                                       
CONECT   42   41   41   43   74                                       
CONECT   43   42   44   44   75                                       
CONECT   44   39   43   43   76                                       
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
