COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.569  -1.517  -0.732  1.00  0.00           C  
HETATM    2  C   UNL     1       3.274  -2.920  -0.188  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.186  -3.887   0.254  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.323   1.400   1.767  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.697   1.760  -1.995  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.619   3.264  -0.259  1.00  0.00           C  
HETATM    7  C   UNL     1       0.974  -1.998   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       1.417  -0.563  -0.135  1.00  0.00           C  
HETATM    9  C   UNL     1       3.370   0.763  -0.163  1.00  0.00           C  
HETATM   10  C   UNL     1       2.668   1.664  -0.958  1.00  0.00           C  
HETATM   11  C   UNL     1       3.196   2.923  -1.181  1.00  0.00           C  
HETATM   12  C   UNL     1       5.062   2.479   0.110  1.00  0.00           C  
HETATM   13  C   UNL     1       6.567   1.463   1.435  1.00  0.00           C  
HETATM   14  C   UNL     1       5.596   0.556   1.245  1.00  0.00           C  
HETATM   15  C   UNL     1       4.593   1.183   0.384  1.00  0.00           C  
HETATM   16  S   UNL     1      -5.334   0.767   0.495  1.00  0.00           S  
HETATM   17  O   UNL     1      -6.386  -0.082   0.058  1.00  0.00           O  
HETATM   18  N   UNL     1      -5.212   1.977  -0.630  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.854  -0.184   0.400  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.783  -1.264  -0.462  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.626  -2.013  -0.540  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.766   0.155   1.183  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.604  -0.587   1.112  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.529  -1.679   0.250  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.282  -2.481   0.170  1.00  0.00           C  
HETATM   26  N   UNL     1       1.075  -4.217   0.141  1.00  0.00           N  
HETATM   27  N   UNL     1       1.823  -3.052  -0.019  1.00  0.00           N  
HETATM   28  N   UNL     1       2.874  -0.512   0.085  1.00  0.00           N  
HETATM   29  C   UNL     1       3.082  -1.420  -2.179  1.00  0.00           C  
HETATM   30  N   UNL     1       6.263   2.618   0.763  1.00  0.00           N  
HETATM   31  N   UNL     1       4.348   3.292  -0.660  1.00  0.00           N  
HETATM   32  H   UNL     1       4.642  -1.332  -0.697  1.00  0.00           H  
HETATM   33  H   UNL     1       3.632  -3.670  -0.893  1.00  0.00           H  
HETATM   34  H   UNL     1       3.770  -3.053   0.774  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.011  -4.571   0.389  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.745   2.055  -2.059  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.108   2.359  -2.689  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.600   0.705  -2.251  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.399   3.932   0.107  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.875   3.110   0.523  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.140   3.709  -1.132  1.00  0.00           H  
HETATM   42  H   UNL     1       1.184  -0.201  -1.136  1.00  0.00           H  
HETATM   43  H   UNL     1       0.910   0.052   0.607  1.00  0.00           H  
HETATM   44  H   UNL     1       1.722   1.384  -1.395  1.00  0.00           H  
HETATM   45  H   UNL     1       2.649   3.621  -1.798  1.00  0.00           H  
HETATM   46  H   UNL     1       7.455   1.306   2.030  1.00  0.00           H  
HETATM   47  H   UNL     1       5.562  -0.444   1.651  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.635  -1.522  -1.074  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.572  -2.856  -1.213  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.824   1.002   1.850  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.754  -0.322   1.724  1.00  0.00           H  
HETATM   52  H   UNL     1       2.032  -1.707  -2.229  1.00  0.00           H  
HETATM   53  H   UNL     1       3.195  -0.395  -2.532  1.00  0.00           H  
HETATM   54  H   UNL     1       3.672  -2.087  -2.806  1.00  0.00           H  
HETATM   55  H   UNL     1       6.814   3.415   0.750  1.00  0.00           H  
CONECT    1   28   29    2   32                                       
CONECT    2    1   27   33   34                                       
CONECT    3   25   26   26   35                                       
CONECT    4   16   16                                                 
CONECT    5   18   36   37   38                                       
CONECT    6   18   39   40   41                                       
CONECT    7    8   27   25   25                                       
CONECT    8   28    7   42   43                                       
CONECT    9   15   15   10   28                                       
CONECT   10   11   11    9   44                                       
CONECT   11   31   10   10   45                                       
CONECT   12   31   31   30   15                                       
CONECT   13   30   14   14   46                                       
CONECT   14   13   13   15   47                                       
CONECT   15   12   14    9    9                                       
CONECT   16    4    4   19   18                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18    5   16    6                                            
CONECT   19   20   16   22   22                                       
CONECT   20   21   21   19   48                                       
CONECT   21   20   20   24   49                                       
CONECT   22   19   19   23   50                                       
CONECT   23   24   24   22   51                                       
CONECT   24   21   25   23   23                                       
CONECT   25    7    7   24    3                                       
CONECT   26   27    3    3                                            
CONECT   27    2    7   26                                            
CONECT   28    9    1    8                                            
CONECT   29    1   52   53   54                                       
CONECT   30   12   13   55                                            
CONECT   31   12   12   11                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
