COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.017   0.264  -0.276  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.380  -0.216  -0.277  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.734  -1.339  -1.028  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.039  -1.785  -1.026  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.001  -1.118  -0.280  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.654  -0.001   0.468  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.350   0.448   0.477  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.880   0.840   1.414  1.00  0.00           S  
HETATM    9  O   UNL     1      -5.576  -0.158   2.147  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.226   1.943   2.028  1.00  0.00           O  
HETATM   11  N   UNL     1      -5.970   1.480   0.344  1.00  0.00           N  
HETATM   12  O   UNL     1      -5.286  -1.560  -0.282  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.574  -2.714  -1.073  1.00  0.00           C  
HETATM   14  C   UNL     1       0.438   1.571  -0.402  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.454   2.774  -0.566  1.00  0.00           C  
HETATM   16  N   UNL     1       1.766   1.587  -0.352  1.00  0.00           N  
HETATM   17  N   UNL     1       1.146  -0.502  -0.142  1.00  0.00           N  
HETATM   18  C   UNL     1       2.218   0.349  -0.200  1.00  0.00           C  
HETATM   19  N   UNL     1       1.345  -1.875   0.022  1.00  0.00           N  
HETATM   20  C   UNL     1       2.551  -2.373   0.128  1.00  0.00           C  
HETATM   21  C   UNL     1       3.677  -1.546   0.079  1.00  0.00           C  
HETATM   22  C   UNL     1       3.524  -0.184  -0.087  1.00  0.00           C  
HETATM   23 CL   UNL     1       2.756  -4.085   0.332  1.00  0.00          Cl  
HETATM   24  N   UNL     1       4.634   0.651  -0.139  1.00  0.00           N  
HETATM   25  C   UNL     1       5.981   0.087  -0.015  1.00  0.00           C  
HETATM   26  C   UNL     1       7.015   1.212  -0.104  1.00  0.00           C  
HETATM   27  N   UNL     1       8.361   0.648   0.020  1.00  0.00           N  
HETATM   28  C   UNL     1       9.438   1.458  -0.030  1.00  0.00           C  
HETATM   29  C   UNL     1      10.823   0.878   0.097  1.00  0.00           C  
HETATM   30  O   UNL     1       9.291   2.653  -0.176  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.792   0.592  -0.483  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.949   1.388  -1.091  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.431   2.370  -1.990  1.00  0.00           O  
HETATM   34  H   UNL     1      -0.986  -1.858  -1.609  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.313  -2.653  -1.607  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.081   1.317   1.059  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.065   2.442   0.264  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.334  -2.509  -2.116  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.976  -3.555  -0.721  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.633  -2.960  -0.986  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.708   3.175   0.415  1.00  0.00           H  
HETATM   42  H   UNL     1       0.067   3.536  -1.147  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.366   2.482  -1.087  1.00  0.00           H  
HETATM   44  H   UNL     1       4.666  -1.972   0.168  1.00  0.00           H  
HETATM   45  H   UNL     1       4.517   1.607  -0.256  1.00  0.00           H  
HETATM   46  H   UNL     1       6.076  -0.419   0.945  1.00  0.00           H  
HETATM   47  H   UNL     1       6.151  -0.627  -0.821  1.00  0.00           H  
HETATM   48  H   UNL     1       6.919   1.719  -1.064  1.00  0.00           H  
HETATM   49  H   UNL     1       6.844   1.926   0.702  1.00  0.00           H  
HETATM   50  H   UNL     1       8.478  -0.307   0.137  1.00  0.00           H  
HETATM   51  H   UNL     1      10.754  -0.203   0.221  1.00  0.00           H  
HETATM   52  H   UNL     1      11.395   1.105  -0.803  1.00  0.00           H  
HETATM   53  H   UNL     1      11.321   1.312   0.964  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.181   0.171  -1.281  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.190  -0.214   0.134  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.610   0.712  -1.633  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.507   1.882  -0.296  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.110   2.913  -2.414  1.00  0.00           H  
CONECT    1   17    2   14   14                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   34                                       
CONECT    4    5    5    3   35                                       
CONECT    5    6   12    4    4                                       
CONECT    6    8    7    7    5                                       
CONECT    7    6    6    2   36                                       
CONECT    8   11    9    9    6                                       
CONECT    8   10   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   31    8   37                                            
CONECT   12   13    5                                                 
CONECT   13   12   38   39   40                                       
CONECT   14   16    1    1   15                                       
CONECT   15   14   41   42   43                                       
CONECT   16   18   18   14                                            
CONECT   17   19   18    1                                            
CONECT   18   22   17   16   16                                       
CONECT   19   20   20   17                                            
CONECT   20   23   21   19   19                                       
CONECT   21   20   22   22   44                                       
CONECT   22   21   21   24   18                                       
CONECT   23   20                                                      
CONECT   24   25   22   45                                            
CONECT   25   26   24   46   47                                       
CONECT   26   27   25   48   49                                       
CONECT   27   28   26   50                                            
CONECT   28   29   30   30   27                                       
CONECT   29   28   51   52   53                                       
CONECT   30   28   28                                                 
CONECT   31   32   11   54   55                                       
CONECT   32   33   31   56   57                                       
CONECT   33   32   58                                                 
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
