COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.224   1.632  -2.316  1.00  0.00           O  
HETATM    2  O   UNL     1      -3.480  -0.028  -1.736  1.00  0.00           O  
HETATM    3  C   UNL     1       6.690  -0.899   2.452  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.032   1.131  -1.037  1.00  0.00           N  
HETATM    5  C   UNL     1       9.601  -2.610   1.158  1.00  0.00           C  
HETATM    6  C   UNL     1       8.420  -1.884   1.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.517   0.533  -0.422  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.232   1.324  -0.167  1.00  0.00           C  
HETATM    9  C   UNL     1       8.435  -1.738  -1.220  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.939   0.219  -1.021  1.00  0.00           N  
HETATM   11  O   UNL     1       0.663   2.195  -1.206  1.00  0.00           O  
HETATM   12  O   UNL     1       0.477   4.810  -2.385  1.00  0.00           O  
HETATM   13  C   UNL     1       3.092   1.472   0.094  1.00  0.00           C  
HETATM   14  C   UNL     1       1.900   0.514   0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.720   1.473  -0.301  1.00  0.00           C  
HETATM   16  C   UNL     1       1.730   3.144  -1.162  1.00  0.00           C  
HETATM   17  C   UNL     1       1.675   4.031  -2.408  1.00  0.00           C  
HETATM   18  C   UNL     1       3.069   2.402  -1.122  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.296   1.933   1.124  1.00  0.00           O  
HETATM   20  C   UNL     1       0.606   1.329  -0.071  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.705   2.128   1.084  1.00  0.00           C  
HETATM   22  C   UNL     1       7.830  -1.443   0.007  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.373   2.859   1.280  1.00  0.00           C  
HETATM   24  F   UNL     1     -11.390  -3.684  -0.797  1.00  0.00           F  
HETATM   25  C   UNL     1     -10.116  -3.521  -0.380  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.460  -4.558   0.264  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.464  -2.322  -0.603  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.150  -2.157  -0.173  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.498  -3.202   0.479  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.155  -4.397   0.692  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.445  -0.872  -0.409  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.166  -0.561  -0.050  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.959   0.709  -0.468  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.850   1.122   2.089  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.325   3.465   2.684  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.135   4.242   2.828  1.00  0.00           O  
HETATM   37  S   UNL     1      -0.807   0.204  -0.238  1.00  0.00           S  
HETATM   38  O   UNL     1       1.871  -0.312   1.179  1.00  0.00           O  
HETATM   39  O   UNL     1       4.308   0.722   0.099  1.00  0.00           O  
HETATM   40  C   UNL     1       4.762   0.358   1.404  1.00  0.00           C  
HETATM   41  C   UNL     1       6.044  -0.426   1.291  1.00  0.00           C  
HETATM   42  C   UNL     1       6.582  -0.678   0.069  1.00  0.00           C  
HETATM   43  F   UNL     1       7.873  -1.317  -2.374  1.00  0.00           F  
HETATM   44  C   UNL     1       9.611  -2.463  -1.242  1.00  0.00           C  
HETATM   45  F   UNL     1      10.201  -2.751  -2.423  1.00  0.00           F  
HETATM   46  C   UNL     1      10.190  -2.895  -0.057  1.00  0.00           C  
HETATM   47  O   UNL     1       7.833  -1.599   2.388  1.00  0.00           O  
HETATM   48  O   UNL     1       6.200  -0.661   3.542  1.00  0.00           O  
HETATM   49  H   UNL     1       3.219   2.158  -3.127  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.741  -0.633  -1.884  1.00  0.00           H  
HETATM   51  H   UNL     1      10.061  -2.952   2.074  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.604  -0.267   0.313  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.124   2.098  -0.928  1.00  0.00           H  
HETATM   54  H   UNL     1       0.376   5.397  -3.147  1.00  0.00           H  
HETATM   55  H   UNL     1       3.025   2.062   1.008  1.00  0.00           H  
HETATM   56  H   UNL     1       1.994  -0.112  -0.874  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.661   2.243  -1.070  1.00  0.00           H  
HETATM   58  H   UNL     1       1.631   3.763  -0.271  1.00  0.00           H  
HETATM   59  H   UNL     1       1.685   3.405  -3.300  1.00  0.00           H  
HETATM   60  H   UNL     1       2.540   4.694  -2.420  1.00  0.00           H  
HETATM   61  H   UNL     1       3.883   3.124  -1.045  1.00  0.00           H  
HETATM   62  H   UNL     1       0.491   1.923   0.836  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.528   2.839   1.160  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.280   3.652   0.538  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.970  -5.495   0.433  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.974  -1.515  -1.109  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.479  -3.078   0.814  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.650  -5.207   1.198  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.462  -1.198   0.465  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.849   1.467   2.993  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.196   4.103   2.834  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.329   2.665   3.425  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.038   4.657   3.696  1.00  0.00           H  
HETATM   74  H   UNL     1       1.139  -0.944   1.195  1.00  0.00           H  
HETATM   75  H   UNL     1       4.938   1.259   1.992  1.00  0.00           H  
HETATM   76  H   UNL     1       4.005  -0.254   1.895  1.00  0.00           H  
HETATM   77  H   UNL     1       6.103  -0.324  -0.831  1.00  0.00           H  
HETATM   78  H   UNL     1      11.110  -3.460  -0.086  1.00  0.00           H  
CONECT    1   18   49                                                 
CONECT    2    7   50                                                 
CONECT    3   48   48   47   41                                       
CONECT    4   33   10   10                                            
CONECT    5    6    6   46   51                                       
CONECT    6   47    5    5   22                                       
CONECT    7    8   15    2   52                                       
CONECT    8   19   37    7   53                                       
CONECT    9   22   22   44   43                                       
CONECT   10    4    4   31                                            
CONECT   11   20   16                                                 
CONECT   12   17   54                                                 
CONECT   13   39   14   18   55                                       
CONECT   14   38   13   20   56                                       
CONECT   15   21    7   33   57                                       
CONECT   16   18   11   17   58                                       
CONECT   17   16   12   59   60                                       
CONECT   18   13   16    1   61                                       
CONECT   19   23    8                                                 
CONECT   20   14   37   11   62                                       
CONECT   21   23   34   15   63                                       
CONECT   22    6   42    9    9                                       
CONECT   23   35   19   21   64                                       
CONECT   24   25                                                      
CONECT   25   27   24   26   26                                       
CONECT   26   25   25   30   65                                       
CONECT   27   28   28   25   66                                       
CONECT   28   31   27   27   29                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   26   68                                       
CONECT   31   32   32   10   28                                       
CONECT   32   33   31   31   69                                       
CONECT   33   15    4   32                                            
CONECT   34   21   70                                                 
CONECT   35   36   23   71   72                                       
CONECT   36   35   73                                                 
CONECT   37   20    8                                                 
CONECT   38   14   74                                                 
CONECT   39   40   13                                                 
CONECT   40   41   39   75   76                                       
CONECT   41    3   40   42   42                                       
CONECT   42   41   41   22   77                                       
CONECT   43    9                                                      
CONECT   44   46   46    9   45                                       
CONECT   45   44                                                      
CONECT   46    5   44   44   78                                       
CONECT   47    3    6                                                 
CONECT   48    3    3                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   46                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
