COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.540   0.094  -3.766  1.00  0.00           C  
HETATM    2  C   UNL     1       0.829   0.233  -2.419  1.00  0.00           C  
HETATM    3  C   UNL     1       1.756  -0.247  -1.301  1.00  0.00           C  
HETATM    4  N   UNL     1       1.075  -0.114  -0.010  1.00  0.00           N  
HETATM    5  C   UNL     1       1.704  -0.480   1.123  1.00  0.00           C  
HETATM    6  O   UNL     1       2.836  -0.920   1.076  1.00  0.00           O  
HETATM    7  C   UNL     1       1.017  -0.346   2.425  1.00  0.00           C  
HETATM    8  C   UNL     1       1.665  -0.724   3.602  1.00  0.00           C  
HETATM    9  C   UNL     1       1.018  -0.595   4.814  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.270  -0.094   4.864  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.918   0.281   3.701  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.280   0.164   2.484  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.089   0.064   6.416  1.00  0.00           S  
HETATM   14  O   UNL     1      -2.479   0.074   6.120  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.441  -0.848   7.290  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.744   1.573   7.006  1.00  0.00           N  
HETATM   17  N   UNL     1       0.653   0.555  -4.837  1.00  0.00           N  
HETATM   18  C   UNL     1       0.585   1.839  -5.303  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.327   1.922  -6.284  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232  -0.241  -5.527  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.565  -1.589  -5.455  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.523  -2.104  -6.301  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.165  -1.289  -7.223  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.856   0.038  -7.308  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.889   0.581  -6.461  1.00  0.00           C  
HETATM   26  C   UNL     1       0.465   1.700  -2.183  1.00  0.00           C  
HETATM   27  H   UNL     1       2.448   0.698  -3.762  1.00  0.00           H  
HETATM   28  H   UNL     1       1.800  -0.950  -3.934  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.078  -0.370  -2.423  1.00  0.00           H  
HETATM   30  H   UNL     1       2.016  -1.293  -1.469  1.00  0.00           H  
HETATM   31  H   UNL     1       2.664   0.355  -1.296  1.00  0.00           H  
HETATM   32  H   UNL     1       0.172   0.236   0.026  1.00  0.00           H  
HETATM   33  H   UNL     1       2.670  -1.116   3.565  1.00  0.00           H  
HETATM   34  H   UNL     1       1.518  -0.887   5.726  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.924   0.672   3.747  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.787   0.458   1.577  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.107   1.855   7.860  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.179   2.175   6.497  1.00  0.00           H  
HETATM   39  H   UNL     1       1.177   2.665  -4.936  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.596   2.810  -6.838  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.072  -2.231  -4.740  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.778  -3.152  -6.245  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.913  -1.709  -7.879  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.360   0.666  -8.028  1.00  0.00           H  
HETATM   45  H   UNL     1       1.372   2.304  -2.179  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.195   2.043  -2.980  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.041   1.799  -1.223  1.00  0.00           H  
CONECT    1    2   17   27   28                                       
CONECT    2    1    3   26   29                                       
CONECT    3    2    4   30   31                                       
CONECT    4    3    5   32                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   35                                       
CONECT   12    7   11   11   36                                       
CONECT   13   10   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   37   38                                            
CONECT   17    1   18   20                                            
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   25   40                                       
CONECT   20   17   21   21   25                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   23   23   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24   23   25   25   44                                       
CONECT   25   19   20   24   24                                       
CONECT   26    2   45   46   47                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
