COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.020   2.664   0.490  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.017   3.824   0.475  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.579   3.967  -0.875  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.260   2.734  -1.292  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.262   1.573  -1.278  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.701   1.430   0.073  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.842   0.340   0.142  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.305  -0.923  -0.220  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.446  -2.001  -0.149  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.594   0.516   0.547  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.743  -0.488   0.629  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.134  -1.780   0.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.174  -2.905   0.383  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.733  -2.839   0.119  1.00  0.00           C  
HETATM   15  C   UNL     1       0.135  -1.814  -0.269  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.458  -4.139   0.724  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.297  -4.919   0.703  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.231  -4.136   0.333  1.00  0.00           C  
HETATM   19  C   UNL     1       1.128  -4.386   0.156  1.00  0.00           C  
HETATM   20  C   UNL     1       1.966  -3.378  -0.222  1.00  0.00           C  
HETATM   21  C   UNL     1       1.478  -2.088  -0.437  1.00  0.00           C  
HETATM   22  N   UNL     1       2.353  -1.068  -0.826  1.00  0.00           N  
HETATM   23  C   UNL     1       3.779  -1.355  -1.005  1.00  0.00           C  
HETATM   24  C   UNL     1       4.496  -0.096  -1.422  1.00  0.00           C  
HETATM   25  C   UNL     1       4.808   0.114  -2.750  1.00  0.00           C  
HETATM   26  C   UNL     1       5.466   1.268  -3.133  1.00  0.00           C  
HETATM   27  C   UNL     1       5.813   2.216  -2.188  1.00  0.00           C  
HETATM   28  C   UNL     1       5.503   2.013  -0.858  1.00  0.00           C  
HETATM   29  C   UNL     1       4.838   0.857  -0.470  1.00  0.00           C  
HETATM   30  N   UNL     1       4.523   0.647   0.874  1.00  0.00           N  
HETATM   31  S   UNL     1       4.098   1.929   1.834  1.00  0.00           S  
HETATM   32  O   UNL     1       3.763   1.336   3.082  1.00  0.00           O  
HETATM   33  O   UNL     1       5.193   2.828   1.721  1.00  0.00           O  
HETATM   34  C   UNL     1       2.621   2.620   1.041  1.00  0.00           C  
HETATM   35  H   UNL     1      -4.202   2.879  -0.199  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.623   2.538   1.497  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.821   3.622   1.184  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.508   4.746   0.757  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.202   4.759  -0.926  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.078   2.519  -0.604  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.656   2.860  -2.300  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.772   0.652  -1.559  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.459   1.775  -1.986  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.323  -1.056  -0.553  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.778  -2.992  -0.424  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.732  -0.306   0.964  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.243  -0.816  -0.435  1.00  0.00           H  
HETATM   48  H   UNL     1       1.518  -5.379   0.320  1.00  0.00           H  
HETATM   49  H   UNL     1       3.018  -3.580  -0.357  1.00  0.00           H  
HETATM   50  H   UNL     1       2.016  -0.171  -0.976  1.00  0.00           H  
HETATM   51  H   UNL     1       4.197  -1.718  -0.067  1.00  0.00           H  
HETATM   52  H   UNL     1       3.902  -2.115  -1.776  1.00  0.00           H  
HETATM   53  H   UNL     1       4.539  -0.625  -3.491  1.00  0.00           H  
HETATM   54  H   UNL     1       5.710   1.430  -4.173  1.00  0.00           H  
HETATM   55  H   UNL     1       6.328   3.116  -2.490  1.00  0.00           H  
HETATM   56  H   UNL     1       5.770   2.755  -0.120  1.00  0.00           H  
HETATM   57  H   UNL     1       4.552  -0.248   1.246  1.00  0.00           H  
HETATM   58  H   UNL     1       1.839   1.861   1.005  1.00  0.00           H  
HETATM   59  H   UNL     1       2.269   3.478   1.612  1.00  0.00           H  
HETATM   60  H   UNL     1       2.867   2.935   0.026  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.252  -5.864   0.918  1.00  0.00           H  
CONECT    1    2    6   35   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    2    4   39                                            
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    1    5    7                                            
CONECT    7    6   10   10    8                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   12   45                                       
CONECT   10    7    7   11                                            
CONECT   11   10   12   12   46                                       
CONECT   12   11   11    9   13                                       
CONECT   13   12   16   16   14                                       
CONECT   14   13   15   18   18                                       
CONECT   15   14   21   21   47                                       
CONECT   16   13   13   17                                            
CONECT   17   16   18   61                                            
CONECT   18   14   14   17   19                                       
CONECT   19   18   20   20   48                                       
CONECT   20   21   19   19   49                                       
CONECT   21   15   15   22   20                                       
CONECT   22   21   23   50                                            
CONECT   23   22   24   51   52                                       
CONECT   24   29   25   25   23                                       
CONECT   25   24   24   26   53                                       
CONECT   26   27   27   25   54                                       
CONECT   27   28   26   26   55                                       
CONECT   28   29   29   27   56                                       
CONECT   29   30   28   28   24                                       
CONECT   30   31   29   57                                            
CONECT   31   32   32   33   33                                       
CONECT   31   30   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   58   59   60                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   17                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
