COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.289  -0.333   1.041  1.00  0.00           C  
HETATM    2  C   UNL     1       4.069  -0.862   2.059  1.00  0.00           C  
HETATM    3  C   UNL     1       5.370  -1.249   1.802  1.00  0.00           C  
HETATM    4  C   UNL     1       5.895  -1.110   0.530  1.00  0.00           C  
HETATM    5  C   UNL     1       5.120  -0.583  -0.486  1.00  0.00           C  
HETATM    6  O   UNL     1       7.973  -1.989   1.152  1.00  0.00           O1-
HETATM    7  C   UNL     1       3.819  -0.195  -0.234  1.00  0.00           C  
HETATM    8  O   UNL     1       7.753  -1.403  -0.862  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.353   0.203   0.336  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.758   0.361   0.924  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.370  -1.026   1.144  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.378  -1.785  -0.186  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.949  -1.860  -0.731  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.958  -2.565  -2.089  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.678   1.051   2.173  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.880  -3.107   0.021  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.429  -0.538  -0.883  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.614  -2.739  -2.544  1.00  0.00           O  
HETATM   19  C   UNL     1       1.264   0.579   0.194  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.182   0.827   0.631  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.957   1.457  -0.530  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.251   2.746  -0.961  1.00  0.00           C  
HETATM   23  C   UNL     1       1.198   2.424  -1.337  1.00  0.00           C  
HETATM   24  C   UNL     1       1.215   1.465  -2.528  1.00  0.00           C  
HETATM   25  O   UNL     1       2.008   0.043   1.290  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.197   1.713   1.752  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.268   3.683   0.118  1.00  0.00           O  
HETATM   28  O   UNL     1       1.852   1.812  -0.223  1.00  0.00           O  
HETATM   29  O   UNL     1       2.563   1.256  -2.952  1.00  0.00           O  
HETATM   30  N   UNL     1       7.289  -1.525   0.257  1.00  0.00           N1+
HETATM   31  S   UNL     1      -2.647   1.841   0.006  1.00  0.00           S  
HETATM   32  O   UNL     1      -6.708  -0.887   1.624  1.00  0.00           O  
HETATM   33  H   UNL     1       3.660  -0.970   3.053  1.00  0.00           H  
HETATM   34  H   UNL     1       5.977  -1.661   2.594  1.00  0.00           H  
HETATM   35  H   UNL     1       5.533  -0.475  -1.479  1.00  0.00           H  
HETATM   36  H   UNL     1       3.214   0.216  -1.029  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.720  -0.330   1.046  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.380   0.928   0.232  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.775  -1.576   1.873  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.013  -1.261  -0.901  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.324  -2.420  -0.036  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.437  -3.539  -1.991  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.509  -1.960  -2.809  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.294   1.936   2.109  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.781  -3.135   0.371  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.543  -3.180  -3.402  1.00  0.00           H  
HETATM   47  H   UNL     1       1.277  -0.129  -0.635  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.646  -0.120   0.908  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.988   0.761  -1.368  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.765   3.172  -1.823  1.00  0.00           H  
HETATM   51  H   UNL     1       1.717   3.344  -1.603  1.00  0.00           H  
HETATM   52  H   UNL     1       0.775   0.512  -2.234  1.00  0.00           H  
HETATM   53  H   UNL     1       0.638   1.893  -3.348  1.00  0.00           H  
HETATM   54  H   UNL     1       0.280   1.379   2.524  1.00  0.00           H  
HETATM   55  H   UNL     1       0.163   4.524  -0.086  1.00  0.00           H  
HETATM   56  H   UNL     1       2.650   0.656  -3.706  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.779  -0.409   2.461  1.00  0.00           H  
CONECT    1    2    2    7   25                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    7    7   35                                       
CONECT    6   30                                                      
CONECT    7    1    5    5   36                                       
CONECT    8   30   30                                                 
CONECT    9   10   17   31   37                                       
CONECT   10    9   11   15   38                                       
CONECT   11   10   12   32   39                                       
CONECT   12   11   13   16   40                                       
CONECT   13   12   14   17   41                                       
CONECT   14   13   18   42   43                                       
CONECT   15   10   44                                                 
CONECT   16   12   45                                                 
CONECT   17    9   13                                                 
CONECT   18   14   46                                                 
CONECT   19   20   25   28   47                                       
CONECT   20   19   21   26   48                                       
CONECT   21   20   22   31   49                                       
CONECT   22   21   23   27   50                                       
CONECT   23   22   24   28   51                                       
CONECT   24   23   29   52   53                                       
CONECT   25    1   19                                                 
CONECT   26   20   54                                                 
CONECT   27   22   55                                                 
CONECT   28   19   23                                                 
CONECT   29   24   56                                                 
CONECT   30    4    6    8    8                                       
CONECT   31    9   21                                                 
CONECT   32   11   57                                                 
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
