COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.581   1.326  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.911   0.033   0.111  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.886  -0.888   0.417  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.633  -0.501   0.423  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.301   0.764   0.141  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.265   1.692  -0.162  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.624   2.911  -0.408  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.070   1.425   0.078  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.328   2.754  -0.266  1.00  0.00           C  
HETATM   10  C   UNL     1       0.265   0.825   0.330  1.00  0.00           C  
HETATM   11  C   UNL     1       0.542   0.085   1.436  1.00  0.00           C  
HETATM   12  S   UNL     1       2.160  -0.453   1.415  1.00  0.00           S  
HETATM   13  C   UNL     1       2.464   0.342  -0.122  1.00  0.00           C  
HETATM   14  C   UNL     1       1.328   0.969  -0.544  1.00  0.00           C  
HETATM   15  C   UNL     1       3.741   0.331  -0.842  1.00  0.00           C  
HETATM   16  N   UNL     1       4.798  -0.329  -0.329  1.00  0.00           N  
HETATM   17  O   UNL     1       3.846   0.916  -1.904  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.332  -0.400   0.104  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.896  -1.300  -0.751  1.00  0.00           C  
HETATM   20  N   UNL     1      -8.200  -1.412  -0.424  1.00  0.00           N  
HETATM   21  N   UNL     1      -8.454  -0.561   0.658  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.341   0.042   0.982  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.182  -2.273  -1.088  1.00  0.00           C  
HETATM   24  C   UNL     1       6.074  -0.340  -1.048  1.00  0.00           C  
HETATM   25  C   UNL     1       6.874  -1.582  -0.648  1.00  0.00           C  
HETATM   26  N   UNL     1       6.109  -2.788  -0.989  1.00  0.00           N  
HETATM   27  C   UNL     1       6.871   0.916  -0.694  1.00  0.00           C  
HETATM   28  C   UNL     1       7.136   0.944   0.813  1.00  0.00           C  
HETATM   29  C   UNL     1       7.936  -0.297   1.213  1.00  0.00           C  
HETATM   30  C   UNL     1       7.139  -1.554   0.859  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.348   2.047  -0.419  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.134  -1.914   0.648  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.584   3.525  -0.395  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.167  -0.133   2.221  1.00  0.00           H  
HETATM   35  H   UNL     1       1.266   1.525  -1.468  1.00  0.00           H  
HETATM   36  H   UNL     1       4.714  -0.795   0.518  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.390  -1.829  -1.545  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.216   0.757   1.782  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.197  -3.249  -0.601  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.170  -1.818  -1.020  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.909  -2.395  -2.136  1.00  0.00           H  
HETATM   42  H   UNL     1       5.885  -0.360  -2.122  1.00  0.00           H  
HETATM   43  H   UNL     1       7.823  -1.590  -1.184  1.00  0.00           H  
HETATM   44  H   UNL     1       6.616  -3.622  -0.734  1.00  0.00           H  
HETATM   45  H   UNL     1       5.197  -2.773  -0.555  1.00  0.00           H  
HETATM   46  H   UNL     1       7.821   0.908  -1.229  1.00  0.00           H  
HETATM   47  H   UNL     1       6.301   1.801  -0.979  1.00  0.00           H  
HETATM   48  H   UNL     1       7.704   1.840   1.066  1.00  0.00           H  
HETATM   49  H   UNL     1       6.187   0.953   1.349  1.00  0.00           H  
HETATM   50  H   UNL     1       8.885  -0.306   0.678  1.00  0.00           H  
HETATM   51  H   UNL     1       8.125  -0.277   2.287  1.00  0.00           H  
HETATM   52  H   UNL     1       6.189  -1.545   1.394  1.00  0.00           H  
HETATM   53  H   UNL     1       7.708  -2.438   1.144  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   18                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    8    8                                       
CONECT    6    1    5    7                                            
CONECT    7    6    9    9                                            
CONECT    8    5    5    9   10                                       
CONECT    9    7    7    8   33                                       
CONECT   10    8   11   11   14                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   14   10   13   13   35                                       
CONECT   15   13   16   17   17                                       
CONECT   16   15   24   36                                            
CONECT   17   15   15                                                 
CONECT   18    2   19   19   22                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   23                                            
CONECT   21   20   22   22                                            
CONECT   22   18   21   21   38                                       
CONECT   23   20   39   40   41                                       
CONECT   24   16   25   27   42                                       
CONECT   25   24   26   30   43                                       
CONECT   26   25   44   45                                            
CONECT   27   24   28   46   47                                       
CONECT   28   27   29   48   49                                       
CONECT   29   28   30   50   51                                       
CONECT   30   25   29   52   53                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
