COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.666   2.447  -0.214  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.767   1.654  -1.450  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.037   1.260  -1.613  1.00  0.00           C  
HETATM    4  O   UNL     1      -9.407   0.588  -2.556  1.00  0.00           O  
HETATM    5  N   UNL     1      -9.863   1.674  -0.642  1.00  0.00           N  
HETATM    6  C   UNL     1      -9.097   2.461   0.337  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.199   1.788   1.720  1.00  0.00           C  
HETATM    8  S   UNL     1      -7.758   0.645   1.722  1.00  0.00           S  
HETATM    9  C   UNL     1      -6.667   1.768   0.743  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.622   0.966  -0.035  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.658   0.296   0.946  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.613  -0.505   0.168  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.649  -1.176   1.149  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.620  -1.965   0.382  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.654  -1.990  -0.830  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.662  -2.644   1.043  1.00  0.00           N  
HETATM   17  S   UNL     1       0.469  -3.512   0.201  1.00  0.00           S  
HETATM   18  O   UNL     1       1.345  -4.075   1.168  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.248  -4.293  -0.746  1.00  0.00           O  
HETATM   20  N   UNL     1       1.369  -2.429  -0.671  1.00  0.00           N  
HETATM   21  C   UNL     1       2.206  -1.447   0.022  1.00  0.00           C  
HETATM   22  C   UNL     1       3.197  -0.833  -0.968  1.00  0.00           C  
HETATM   23  C   UNL     1       4.058   0.256  -0.280  1.00  0.00           C  
HETATM   24  C   UNL     1       4.251  -1.878  -1.411  1.00  0.00           C  
HETATM   25  C   UNL     1       5.459  -1.031  -1.860  1.00  0.00           C  
HETATM   26  C   UNL     1       5.336   0.328  -1.140  1.00  0.00           C  
HETATM   27  N   UNL     1       6.505   0.551  -0.286  1.00  0.00           N  
HETATM   28  C   UNL     1       6.922  -0.250   0.735  1.00  0.00           C  
HETATM   29  N   UNL     1       7.994   0.246   1.280  1.00  0.00           N  
HETATM   30  C   UNL     1       8.332   1.395   0.646  1.00  0.00           C  
HETATM   31  C   UNL     1       7.384   1.601  -0.370  1.00  0.00           C  
HETATM   32  N   UNL     1       7.493   2.674  -1.147  1.00  0.00           N  
HETATM   33  C   UNL     1       8.474   3.533  -0.971  1.00  0.00           C  
HETATM   34  N   UNL     1       9.389   3.381  -0.030  1.00  0.00           N  
HETATM   35  C   UNL     1       9.363   2.338   0.793  1.00  0.00           C  
HETATM   36  N   UNL     1      10.326   2.188   1.776  1.00  0.00           N  
HETATM   37  H   UNL     1      -7.339   3.462  -0.443  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.033   1.450  -2.049  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.814   1.487  -0.594  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.475   3.482   0.380  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.109   2.526   2.517  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.133   1.232   1.810  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.188   2.503   1.391  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.121   0.204  -0.633  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.065   1.636  -0.691  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.159   1.059   1.544  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.215  -0.373   1.602  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.112  -1.268  -0.430  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.056   0.164  -0.488  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.151  -0.412   1.747  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.206  -1.845   1.805  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.635  -2.625   2.013  1.00  0.00           H  
HETATM   53  H   UNL     1       1.341  -2.445  -1.640  1.00  0.00           H  
HETATM   54  H   UNL     1       1.576  -0.662   0.440  1.00  0.00           H  
HETATM   55  H   UNL     1       2.754  -1.939   0.826  1.00  0.00           H  
HETATM   56  H   UNL     1       2.674  -0.422  -1.832  1.00  0.00           H  
HETATM   57  H   UNL     1       3.538   1.214  -0.287  1.00  0.00           H  
HETATM   58  H   UNL     1       4.299  -0.038   0.742  1.00  0.00           H  
HETATM   59  H   UNL     1       4.526  -2.520  -0.574  1.00  0.00           H  
HETATM   60  H   UNL     1       3.871  -2.475  -2.240  1.00  0.00           H  
HETATM   61  H   UNL     1       6.388  -1.524  -1.575  1.00  0.00           H  
HETATM   62  H   UNL     1       5.431  -0.885  -2.940  1.00  0.00           H  
HETATM   63  H   UNL     1       5.249   1.132  -1.872  1.00  0.00           H  
HETATM   64  H   UNL     1       6.435  -1.163   1.045  1.00  0.00           H  
HETATM   65  H   UNL     1       8.534   4.394  -1.620  1.00  0.00           H  
HETATM   66  H   UNL     1      11.030   2.849   1.870  1.00  0.00           H  
HETATM   67  H   UNL     1      10.297   1.422   2.370  1.00  0.00           H  
CONECT    1    6    9    2   37                                       
CONECT    2    3    1   38                                            
CONECT    3    5    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   39                                            
CONECT    6    7    5    1   40                                       
CONECT    7    8    6   41   42                                       
CONECT    8    7    9                                                 
CONECT    9    8    1   10   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   52                                            
CONECT   17   16   20   18   18                                       
CONECT   17   19   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   21   17   53                                            
CONECT   21   22   20   54   55                                       
CONECT   22   23   24   21   56                                       
CONECT   23   26   22   57   58                                       
CONECT   24   25   22   59   60                                       
CONECT   25   26   24   61   62                                       
CONECT   26   27   25   23   63                                       
CONECT   27   28   31   26                                            
CONECT   28   29   29   27   64                                       
CONECT   29   30   28   28                                            
CONECT   30   35   29   31   31                                       
CONECT   31   30   30   32   27                                       
CONECT   32   33   33   31                                            
CONECT   33   34   32   32   65                                       
CONECT   34   35   35   33                                            
CONECT   35   36   34   34   30                                       
CONECT   36   35   66   67                                            
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   33                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
