COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.981   0.165  -0.481  1.00  0.00           C  
HETATM    2  C   UNL     1       0.312  -0.280  -0.673  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.399   1.393   0.520  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.877  -0.599   0.244  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.403   0.986  -0.883  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.127  -0.251  -0.333  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.392   1.722  -1.473  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.103   1.223  -1.509  1.00  0.00           C  
HETATM    9  C   UNL     1       5.958   3.183   1.320  1.00  0.00           C  
HETATM   10  O   UNL     1       5.505   2.807   0.017  1.00  0.00           O  
HETATM   11  C   UNL     1       4.769   1.665  -0.076  1.00  0.00           C  
HETATM   12  C   UNL     1       5.390   0.423  -0.196  1.00  0.00           C  
HETATM   13  N   UNL     1       6.777   0.328  -0.222  1.00  0.00           N  
HETATM   14  C   UNL     1       7.389  -0.924  -0.238  1.00  0.00           C  
HETATM   15  N   UNL     1       8.721  -1.168  -0.134  1.00  0.00           N  
HETATM   16  N   UNL     1       8.908  -2.554  -0.194  1.00  0.00           N  
HETATM   17  C   UNL     1       7.739  -3.124  -0.330  1.00  0.00           C  
HETATM   18  C   UNL     1       7.488  -4.606  -0.435  1.00  0.00           C  
HETATM   19  C   UNL     1       6.761  -2.126  -0.356  1.00  0.00           C  
HETATM   20  N   UNL     1       4.637  -0.672  -0.283  1.00  0.00           N  
HETATM   21  C   UNL     1       3.315  -0.590  -0.259  1.00  0.00           C  
HETATM   22  S   UNL     1       2.363  -2.067  -0.379  1.00  0.00           S  
HETATM   23  C   UNL     1       0.714  -1.497  -0.137  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.190  -2.263   0.593  1.00  0.00           C  
HETATM   25  F   UNL     1       0.196  -3.447   1.117  1.00  0.00           F  
HETATM   26  C   UNL     1      -1.484  -1.814   0.776  1.00  0.00           C  
HETATM   27  S   UNL     1      -3.524  -0.022   0.493  1.00  0.00           S  
HETATM   28  O   UNL     1      -3.978  -0.740   1.632  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.418  -0.554  -0.993  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.824  -0.011  -0.955  1.00  0.00           C  
HETATM   31  N   UNL     1      -9.210  -1.041   0.294  1.00  0.00           N1+
HETATM   32  O   UNL     1     -10.345  -0.601   0.324  1.00  0.00           O1-
HETATM   33  O   UNL     1      -8.967  -2.132   0.779  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.836  -0.751  -0.368  1.00  0.00           C  
HETATM   35  F   UNL     1      -6.565  -1.961   0.169  1.00  0.00           F  
HETATM   36  N   UNL     1       2.690   0.572  -0.146  1.00  0.00           N  
HETATM   37  C   UNL     1       3.375   1.709  -0.048  1.00  0.00           C  
HETATM   38  N   UNL     1       2.712   2.923   0.076  1.00  0.00           N  
HETATM   39  C   UNL     1       1.943   2.978   1.328  1.00  0.00           C  
HETATM   40  C   UNL     1       1.278   4.352   1.452  1.00  0.00           C  
HETATM   41  O   UNL     1       0.458   4.584   0.303  1.00  0.00           O  
HETATM   42  C   UNL     1       1.175   4.538  -0.934  1.00  0.00           C  
HETATM   43  C   UNL     1       1.839   3.166  -1.082  1.00  0.00           C  
HETATM   44  H   UNL     1      -1.292   1.113  -0.895  1.00  0.00           H  
HETATM   45  H   UNL     1       1.011   0.317  -1.240  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.410   1.377  -0.856  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.610   2.687  -1.907  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.315   1.798  -1.971  1.00  0.00           H  
HETATM   49  H   UNL     1       6.455   4.152   1.266  1.00  0.00           H  
HETATM   50  H   UNL     1       5.106   3.248   1.996  1.00  0.00           H  
HETATM   51  H   UNL     1       6.660   2.435   1.690  1.00  0.00           H  
HETATM   52  H   UNL     1       7.318   1.133  -0.230  1.00  0.00           H  
HETATM   53  H   UNL     1       9.418  -0.500  -0.035  1.00  0.00           H  
HETATM   54  H   UNL     1       7.249  -5.005   0.550  1.00  0.00           H  
HETATM   55  H   UNL     1       6.652  -4.786  -1.112  1.00  0.00           H  
HETATM   56  H   UNL     1       8.380  -5.100  -0.820  1.00  0.00           H  
HETATM   57  H   UNL     1       5.696  -2.281  -0.454  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.187  -2.407   1.342  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.908  -0.177  -1.879  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.450  -1.643  -1.028  1.00  0.00           H  
HETATM   61  H   UNL     1       1.178   2.203   1.320  1.00  0.00           H  
HETATM   62  H   UNL     1       2.613   2.820   2.173  1.00  0.00           H  
HETATM   63  H   UNL     1       0.661   4.378   2.350  1.00  0.00           H  
HETATM   64  H   UNL     1       2.045   5.123   1.514  1.00  0.00           H  
HETATM   65  H   UNL     1       0.483   4.698  -1.762  1.00  0.00           H  
HETATM   66  H   UNL     1       1.939   5.315  -0.942  1.00  0.00           H  
HETATM   67  H   UNL     1       2.433   3.146  -1.996  1.00  0.00           H  
HETATM   68  H   UNL     1       1.072   2.393  -1.129  1.00  0.00           H  
CONECT    1    2    2    4   44                                       
CONECT    2    1    1   23   45                                       
CONECT    3   27   27                                                 
CONECT    4    1   27   26   26                                       
CONECT    5    7    7    6   46                                       
CONECT    6   34   34    5   31                                       
CONECT    7    8    5    5   47                                       
CONECT    8   30   30    7   48                                       
CONECT    9   10   49   50   51                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   37                                       
CONECT   12   13   11   11   20                                       
CONECT   13   14   12   52                                            
CONECT   14   15   13   19   19                                       
CONECT   15   16   14   53                                            
CONECT   16   15   17   17                                            
CONECT   17   16   16   19   18                                       
CONECT   18   17   54   55   56                                       
CONECT   19   14   14   17   57                                       
CONECT   20   12   21   21                                            
CONECT   21   20   20   36   22                                       
CONECT   22   21   23                                                 
CONECT   23    2   22   24   24                                       
CONECT   24   23   23   26   25                                       
CONECT   25   24                                                      
CONECT   26    4    4   24   58                                       
CONECT   27    3    3    4   28                                       
CONECT   27   28   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   30   59   60                                       
CONECT   30   29    8    8   34                                       
CONECT   31    6   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31                                                 
CONECT   34   30   35    6    6                                       
CONECT   35   34                                                      
CONECT   36   37   37   21                                            
CONECT   37   11   38   36   36                                       
CONECT   38   43   37   39                                            
CONECT   39   38   40   61   62                                       
CONECT   40   41   39   63   64                                       
CONECT   41   42   40                                                 
CONECT   42   43   41   65   66                                       
CONECT   43   42   38   67   68                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   39                                                      
CONECT   62   39                                                      
CONECT   63   40                                                      
CONECT   64   40                                                      
CONECT   65   42                                                      
CONECT   66   42                                                      
CONECT   67   43                                                      
CONECT   68   43                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
