COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.625   0.007   2.141  1.00  0.00           O  
HETATM    2  C   UNL     1       0.597   5.758  -0.347  1.00  0.00           C  
HETATM    3  C   UNL     1       0.008   2.136  -0.438  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.022   0.967  -0.866  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.643  -2.589  -1.165  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.303   0.807  -1.643  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.987  -0.469  -1.227  1.00  0.00           C  
HETATM    8  N   UNL     1       3.689  -0.872  -0.165  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.881  -1.665  -1.827  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.275  -1.994  -0.096  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.887  -0.642  -0.084  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.378   0.215   0.904  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.227  -0.268   1.860  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.604  -1.604   1.858  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.148  -2.462   0.882  1.00  0.00           C  
HETATM   16  S   UNL     1       2.739  -0.383   1.100  1.00  0.00           S  
HETATM   17  O   UNL     1       1.741  -1.382   1.262  1.00  0.00           O  
HETATM   18  C   UNL     1       5.102  -0.379  -0.293  1.00  0.00           C  
HETATM   19  C   UNL     1       5.989  -1.506  -0.010  1.00  0.00           C  
HETATM   20  C   UNL     1       5.788  -2.708  -0.927  1.00  0.00           C  
HETATM   21  C   UNL     1       4.747  -3.554  -0.253  1.00  0.00           C  
HETATM   22  C   UNL     1       3.346  -3.284  -0.854  1.00  0.00           C  
HETATM   23  C   UNL     1       3.178  -1.778  -1.152  1.00  0.00           C  
HETATM   24  C   UNL     1       1.900   1.079   0.587  1.00  0.00           C  
HETATM   25  C   UNL     1       0.669   0.986  -0.034  1.00  0.00           C  
HETATM   26  C   UNL     1       0.587   3.383  -0.215  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.057   4.514  -0.609  1.00  0.00           O  
HETATM   28  C   UNL     1       1.821   3.468   0.409  1.00  0.00           C  
HETATM   29  C   UNL     1       2.475   2.318   0.808  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.238   2.044  -1.074  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.697   0.128  -0.054  1.00  0.00           O  
HETATM   32  H   UNL     1       1.559   5.776  -0.858  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.023   6.577  -0.710  1.00  0.00           H  
HETATM   34  H   UNL     1       0.752   5.868   0.726  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.728  -3.522  -1.414  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.959   1.654  -1.441  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.079   0.768  -2.709  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.282  -1.868  -2.702  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.088   1.255   0.911  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.606   0.395   2.623  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.275  -1.970   2.621  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.453  -3.498   0.885  1.00  0.00           H  
HETATM   43  H   UNL     1       5.277  -0.016  -1.306  1.00  0.00           H  
HETATM   44  H   UNL     1       5.281   0.422   0.424  1.00  0.00           H  
HETATM   45  H   UNL     1       7.021  -1.167  -0.105  1.00  0.00           H  
HETATM   46  H   UNL     1       5.825  -1.827   1.019  1.00  0.00           H  
HETATM   47  H   UNL     1       5.435  -2.382  -1.905  1.00  0.00           H  
HETATM   48  H   UNL     1       6.720  -3.264  -1.030  1.00  0.00           H  
HETATM   49  H   UNL     1       4.998  -4.607  -0.387  1.00  0.00           H  
HETATM   50  H   UNL     1       4.731  -3.322   0.812  1.00  0.00           H  
HETATM   51  H   UNL     1       3.233  -3.852  -1.777  1.00  0.00           H  
HETATM   52  H   UNL     1       2.581  -3.596  -0.142  1.00  0.00           H  
HETATM   53  H   UNL     1       2.115  -1.575  -1.282  1.00  0.00           H  
HETATM   54  H   UNL     1       3.677  -1.567  -2.098  1.00  0.00           H  
HETATM   55  H   UNL     1       0.223   0.018  -0.206  1.00  0.00           H  
HETATM   56  H   UNL     1       2.272   4.434   0.583  1.00  0.00           H  
HETATM   57  H   UNL     1       3.436   2.386   1.295  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.536   2.754  -1.663  1.00  0.00           H  
CONECT    1   16   16                                                 
CONECT    2   27   32   33   34                                       
CONECT    3   30   26   26   25                                       
CONECT    4    6   30   31   31                                       
CONECT    5    9   10   35                                            
CONECT    6    4    7   36   37                                       
CONECT    7    6    9    9   11                                       
CONECT    8   16   23   18                                            
CONECT    9    7    7    5   38                                       
CONECT   10    5   11   11   15                                       
CONECT   11    7   10   10   12                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14   15   15   13   41                                       
CONECT   15   10   14   14   42                                       
CONECT   16    1    1   24   17                                       
CONECT   16   17    8                                                 
CONECT   17   16   16                                                 
CONECT   18    8   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   21   19   47   48                                       
CONECT   21   22   20   49   50                                       
CONECT   22   23   21   51   52                                       
CONECT   23    8   22   53   54                                       
CONECT   24   25   25   29   16                                       
CONECT   25    3   24   24   55                                       
CONECT   26   27    3    3   28                                       
CONECT   27    2   26                                                 
CONECT   28   26   29   29   56                                       
CONECT   29   28   28   24   57                                       
CONECT   30    3    4   58                                            
CONECT   31    4    4                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
