COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.897  -0.601  -0.029  1.00  0.00           C  
HETATM    2  C   UNL     1       1.341  -1.859   0.153  1.00  0.00           C  
HETATM    3  C   UNL     1       3.487  -2.851  -0.227  1.00  0.00           C  
HETATM    4  C   UNL     1       0.213  -4.292   0.931  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358  -1.589   1.934  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.898  -0.970  -0.423  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.369  -1.051  -0.105  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.048  -0.194  -0.241  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.128  -1.128   0.413  1.00  0.00           N  
HETATM   10  C   UNL     1       6.133  -2.683  -0.763  1.00  0.00           C  
HETATM   11  C   UNL     1       2.995   1.849  -0.254  1.00  0.00           C  
HETATM   12  C   UNL     1       2.613   2.668  -1.311  1.00  0.00           C  
HETATM   13  C   UNL     1       1.812   3.763  -1.081  1.00  0.00           C  
HETATM   14  C   UNL     1       4.047  -1.599  -0.407  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.623  -3.311   0.220  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.764  -1.818   0.747  1.00  0.00           O  
HETATM   17  S   UNL     1      -5.820   0.583  -1.237  1.00  0.00           S  
HETATM   18  C   UNL     1       3.245  -0.465  -0.308  1.00  0.00           C  
HETATM   19  C   UNL     1       2.135  -2.982   0.051  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.130  -1.952   0.465  1.00  0.00           C  
HETATM   21  C   UNL     1       1.571  -4.368   0.233  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.245  -0.270  -0.769  1.00  0.00           N  
HETATM   23  O   UNL     1       5.374  -1.476  -0.678  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.602  -0.345  -0.476  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.438  -1.068   0.561  1.00  0.00           C  
HETATM   26  O   UNL     1       3.785   0.770  -0.485  1.00  0.00           O  
HETATM   27  C   UNL     1       1.383   4.052   0.218  1.00  0.00           C  
HETATM   28  C   UNL     1       1.770   3.227   1.278  1.00  0.00           C  
HETATM   29  C   UNL     1       2.575   2.136   1.040  1.00  0.00           C  
HETATM   30  C   UNL     1       0.525   5.225   0.470  1.00  0.00           C  
HETATM   31  O   UNL     1       0.191   5.942  -0.453  1.00  0.00           O  
HETATM   32  O   UNL     1       0.113   5.502   1.722  1.00  0.00           O  
HETATM   33  H   UNL     1       1.273   0.277   0.043  1.00  0.00           H  
HETATM   34  H   UNL     1       4.107  -3.733  -0.303  1.00  0.00           H  
HETATM   35  H   UNL     1       0.350  -3.975   1.965  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.266  -5.271   0.908  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.423  -1.647   2.161  1.00  0.00           H  
HETATM   38  H   UNL     1       0.187  -2.287   2.569  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.002  -0.576   2.117  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.738  -1.226  -1.470  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.541   0.043  -0.237  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.109   0.006  -0.272  1.00  0.00           H  
HETATM   43  H   UNL     1       7.173  -2.444  -0.984  1.00  0.00           H  
HETATM   44  H   UNL     1       6.076  -3.216   0.186  1.00  0.00           H  
HETATM   45  H   UNL     1       5.729  -3.311  -1.558  1.00  0.00           H  
HETATM   46  H   UNL     1       2.946   2.444  -2.314  1.00  0.00           H  
HETATM   47  H   UNL     1       1.516   4.399  -1.902  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.591  -3.399   0.489  1.00  0.00           H  
HETATM   49  H   UNL     1       2.257  -4.961   0.839  1.00  0.00           H  
HETATM   50  H   UNL     1       1.451  -4.841  -0.742  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.929   0.343  -1.450  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.973  -1.675   1.277  1.00  0.00           H  
HETATM   53  H   UNL     1       1.440   3.447   2.283  1.00  0.00           H  
HETATM   54  H   UNL     1       2.874   1.498   1.858  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.448   6.282   1.837  1.00  0.00           H  
CONECT    1    2    2   18   33                                       
CONECT    2   20    1    1   19                                       
CONECT    3   19   19   14   34                                       
CONECT    4   15   21   35   36                                       
CONECT    5   20   37   38   39                                       
CONECT    6    7   20   40   41                                       
CONECT    7   16   16    6   22                                       
CONECT    8   17   25   25   42                                       
CONECT    9   24   24   25                                            
CONECT   10   23   43   44   45                                       
CONECT   11   26   29   29   12                                       
CONECT   12   11   13   13   46                                       
CONECT   13   12   12   27   47                                       
CONECT   14   18   18    3   23                                       
CONECT   15   20    4   48                                            
CONECT   16    7    7                                                 
CONECT   17   24    8                                                 
CONECT   18    1   26   14   14                                       
CONECT   19    2   21    3    3                                       
CONECT   20    5    6   15    2                                       
CONECT   21    4   19   49   50                                       
CONECT   22    7   24   51                                            
CONECT   23   14   10                                                 
CONECT   24   17   22    9    9                                       
CONECT   25    8    8    9   52                                       
CONECT   26   18   11                                                 
CONECT   27   28   28   13   30                                       
CONECT   28   29   27   27   53                                       
CONECT   29   11   11   28   54                                       
CONECT   30   27   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   55                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
