COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK     1      -0.468  -1.520   1.226  1.00  0.00           S  
HETATM    2  C   UNK     1      -1.706  -2.845   0.931  1.00  0.00           C  
HETATM    3  C   UNK     1      -2.295  -2.488  -0.447  1.00  0.00           C  
HETATM    4  N   UNK     1      -1.766  -1.230  -0.982  1.00  0.00           N  
HETATM    5  C   UNK     1      -0.361  -1.012  -0.540  1.00  0.00           C  
HETATM    6  C   UNK     1      -1.028  -4.216   0.888  1.00  0.00           C  
HETATM    7  C   UNK     1      -0.977   1.317   0.050  1.00  0.00           C  
HETATM    8  O   UNK     1      -0.629   2.024   0.966  1.00  0.00           O  
HETATM    9  C   UNK     1       0.035   0.461  -0.667  1.00  0.00           C  
HETATM   10  C   UNK     1      -2.794  -2.815   2.007  1.00  0.00           C  
HETATM   11  C   UNK     1      -1.979  -3.599  -1.414  1.00  0.00           C  
HETATM   12  O   UNK     1      -2.753  -4.532  -1.545  1.00  0.00           O  
HETATM   13  O   UNK     1      -0.949  -3.565  -2.065  1.00  0.00           O1-
HETATM   14  N   UNK     1       1.358   0.664  -0.070  1.00  0.00           N  
HETATM   15  C   UNK     1       2.468   0.436  -0.798  1.00  0.00           C  
HETATM   16  O   UNK     1       2.373   0.062  -1.952  1.00  0.00           O  
HETATM   17  C   UNK     1       3.797   0.640  -0.198  1.00  0.00           C  
HETATM   18  C   UNK     1       4.426   1.891  -0.283  1.00  0.00           C  
HETATM   19  C   UNK     1       5.677   2.072   0.285  1.00  0.00           C  
HETATM   20  C   UNK     1       6.304   1.026   0.935  1.00  0.00           C  
HETATM   21  C   UNK     1       5.693  -0.211   1.025  1.00  0.00           C  
HETATM   22  C   UNK     1       4.441  -0.413   0.468  1.00  0.00           C  
HETATM   23  O   UNK     1       3.841  -1.626   0.563  1.00  0.00           O  
HETATM   24  C   UNK     1       4.556  -2.651   1.256  1.00  0.00           C  
HETATM   25  O   UNK     1       3.812   2.920  -0.920  1.00  0.00           O  
HETATM   26  C   UNK     1       4.513   4.164  -0.968  1.00  0.00           C  
HETATM   27  N   UNK     1      -4.622   2.484  -1.545  1.00  0.00           N  
HETATM   28  C   UNK     1      -4.594   1.984  -0.164  1.00  0.00           C  
HETATM   29  C   UNK     1      -3.183   2.144   0.407  1.00  0.00           C  
HETATM   30  O   UNK     1      -2.264   1.293  -0.329  1.00  0.00           O  
HETATM   31  C   UNK     1      -5.567   2.770   0.675  1.00  0.00           C  
HETATM   32  O   UNK     1      -6.225   3.664   0.170  1.00  0.00           O  
HETATM   33  O   UNK     1      -5.698   2.512   1.859  1.00  0.00           O1-
HETATM   34  H   UNK     1      -3.378  -2.403  -0.355  1.00  0.00           H  
HETATM   35  H   UNK     1      -1.837  -1.207  -1.989  1.00  0.00           H  
HETATM   36  H   UNK     1       0.328  -1.651  -1.092  1.00  0.00           H  
HETATM   37  H   UNK     1      -0.550  -4.416   1.847  1.00  0.00           H  
HETATM   38  H   UNK     1      -1.774  -4.985   0.687  1.00  0.00           H  
HETATM   39  H   UNK     1      -0.276  -4.225   0.099  1.00  0.00           H  
HETATM   40  H   UNK     1       0.066   0.739  -1.720  1.00  0.00           H  
HETATM   41  H   UNK     1      -3.282  -1.840   2.003  1.00  0.00           H  
HETATM   42  H   UNK     1      -3.531  -3.591   1.800  1.00  0.00           H  
HETATM   43  H   UNK     1      -2.344  -2.992   2.984  1.00  0.00           H  
HETATM   44  H   UNK     1       1.434   0.962   0.850  1.00  0.00           H  
HETATM   45  H   UNK     1       6.163   3.034   0.220  1.00  0.00           H  
HETATM   46  H   UNK     1       7.279   1.175   1.375  1.00  0.00           H  
HETATM   47  H   UNK     1       6.193  -1.022   1.534  1.00  0.00           H  
HETATM   48  H   UNK     1       5.506  -2.833   0.755  1.00  0.00           H  
HETATM   49  H   UNK     1       4.740  -2.334   2.283  1.00  0.00           H  
HETATM   50  H   UNK     1       3.965  -3.567   1.259  1.00  0.00           H  
HETATM   51  H   UNK     1       4.697   4.516   0.047  1.00  0.00           H  
HETATM   52  H   UNK     1       5.464   4.026  -1.482  1.00  0.00           H  
HETATM   53  H   UNK     1       3.913   4.899  -1.504  1.00  0.00           H  
HETATM   54  H   UNK     1      -5.526   2.331  -1.967  1.00  0.00           H  
HETATM   55  H   UNK     1      -4.367   3.459  -1.582  1.00  0.00           H  
HETATM   56  H   UNK     1      -4.873   0.930  -0.154  1.00  0.00           H  
HETATM   57  H   UNK     1      -2.869   3.183   0.314  1.00  0.00           H  
HETATM   58  H   UNK     1      -3.182   1.856   1.458  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    6   10                                       
CONECT    3    2    4   11   34                                       
CONECT    4    3    5   35                                            
CONECT    5    1    4    9   36                                       
CONECT    6    2   37   38   39                                       
CONECT    7    8    8    9   30                                       
CONECT    8    7    7                                                 
CONECT    9    5    7   14   40                                       
CONECT   10    2   41   42   43                                       
CONECT   11    3   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11                                                      
CONECT   14    9   15   44                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   25                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   47                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   48   49   50                                       
CONECT   25   18   26                                                 
CONECT   26   25   51   52   53                                       
CONECT   27   28   54   55                                            
CONECT   28   27   29   31   56                                       
CONECT   29   28   30   57   58                                       
CONECT   30    7   29                                                 
CONECT   31   28   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   14                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
