COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.253   0.344   2.263  1.00  0.00           O  
HETATM    2  C   UNL     1       0.830   0.033   1.807  1.00  0.00           C  
HETATM    3  N   UNL     1       1.944   0.056   2.494  1.00  0.00           N  
HETATM    4  C   UNL     1       3.095  -0.288   1.966  1.00  0.00           C  
HETATM    5  N   UNL     1       4.297  -0.292   2.611  1.00  0.00           N  
HETATM    6  S   UNL     1       2.835  -0.734   0.322  1.00  0.00           S  
HETATM    7  C   UNL     1       1.041  -0.430   0.385  1.00  0.00           C  
HETATM    8  C   UNL     1       0.662   0.673  -0.595  1.00  0.00           C  
HETATM    9  N   UNL     1       1.218   0.369  -1.916  1.00  0.00           N  
HETATM   10  C   UNL     1       1.464   1.366  -2.790  1.00  0.00           C  
HETATM   11  O   UNL     1       1.225   2.514  -2.482  1.00  0.00           O  
HETATM   12  C   UNL     1       2.036   1.053  -4.148  1.00  0.00           C  
HETATM   13  C   UNL     1       0.289  -1.692   0.106  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.790  -1.741  -0.651  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.446  -3.042  -0.841  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.551  -3.133  -1.608  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.993  -4.035  -0.308  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.383  -0.540  -1.328  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.868   0.746  -0.680  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.416   0.874   0.633  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.651   1.591   0.681  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.595   0.914   1.677  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.965  -0.479   1.163  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.389   3.031   1.125  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.547   3.746   0.067  1.00  0.00           C  
HETATM   26  H   UNL     1       4.349  -0.023   3.541  1.00  0.00           H  
HETATM   27  H   UNL     1       1.056   1.627  -0.243  1.00  0.00           H  
HETATM   28  H   UNL     1       1.410  -0.549  -2.162  1.00  0.00           H  
HETATM   29  H   UNL     1       2.183  -0.023  -4.242  1.00  0.00           H  
HETATM   30  H   UNL     1       1.346   1.394  -4.920  1.00  0.00           H  
HETATM   31  H   UNL     1       2.993   1.562  -4.266  1.00  0.00           H  
HETATM   32  H   UNL     1       0.649  -2.610   0.547  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.948  -4.010  -1.704  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.108  -0.548  -2.382  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.469  -0.576  -1.238  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.161   1.604  -1.286  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.108   1.593  -0.309  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.101   0.825   2.644  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.499   1.513   1.785  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.516  -0.387   0.227  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.056  -1.057   0.993  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.586  -0.986   1.902  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.338   3.552   1.247  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.852   3.026   2.074  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.597   3.225  -0.055  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.083   3.751  -0.882  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.360   4.772   0.383  1.00  0.00           H  
HETATM   48  H   UNL     1       5.100  -0.562   2.138  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    7    1    1                                       
CONECT    3    4    4    2                                            
CONECT    4    5    6    3    3                                       
CONECT    5    4   26   48                                            
CONECT    6    4    7                                                 
CONECT    7    6    8    2   13                                       
CONECT    8    9   19    7   27                                       
CONECT    9   10    8   28                                            
CONECT   10   12    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   29   30   31                                       
CONECT   13    7   14   14   32                                       
CONECT   14   18   13   13   15                                       
CONECT   15   14   17   17   16                                       
CONECT   16   15   33                                                 
CONECT   17   15   15                                                 
CONECT   18   19   14   34   35                                       
CONECT   19   20    8   18   36                                       
CONECT   20   21   19                                                 
CONECT   21   22   24   20   37                                       
CONECT   22   21   23   38   39                                       
CONECT   23   22   40   41   42                                       
CONECT   24   21   25   43   44                                       
CONECT   25   24   45   46   47                                       
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48    5                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
