COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.134  -1.314   2.311  1.00  0.00           C  
HETATM    2  C   UNL     1       0.050  -0.887   1.739  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.363  -0.094   0.093  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.955   0.183  -0.231  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.892  -0.249   0.481  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.673   0.154  -0.044  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.765   0.900  -1.163  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.374  -0.206   0.576  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.343  -0.980   1.735  1.00  0.00           C  
HETATM   10  C   UNL     1       0.029  -0.119   0.581  1.00  0.00           C  
HETATM   11  C   UNL     1       2.303   0.549   0.784  1.00  0.00           C  
HETATM   12  C   UNL     1       3.579   1.066   0.171  1.00  0.00           C  
HETATM   13  C   UNL     1       4.740   0.838   1.141  1.00  0.00           C  
HETATM   14  C   UNL     1       6.036   1.363   0.519  1.00  0.00           C  
HETATM   15  C   UNL     1       5.895   2.860   0.235  1.00  0.00           C  
HETATM   16  C   UNL     1       4.734   3.087  -0.736  1.00  0.00           C  
HETATM   17  C   UNL     1       3.439   2.563  -0.113  1.00  0.00           C  
HETATM   18  C   UNL     1       3.812  -0.987  -1.005  1.00  0.00           C  
HETATM   19  C   UNL     1       4.036  -1.725  -2.158  1.00  0.00           C  
HETATM   20  C   UNL     1       4.016  -3.106  -2.108  1.00  0.00           C  
HETATM   21  C   UNL     1       3.773  -3.752  -0.910  1.00  0.00           C  
HETATM   22  C   UNL     1       3.548  -3.018   0.241  1.00  0.00           C  
HETATM   23  C   UNL     1       3.567  -1.638   0.196  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.182   0.220  -0.004  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.367   0.398  -0.716  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.663  -0.806   1.146  1.00  0.00           N  
HETATM   27  N   UNL     1       1.229   0.312   0.005  1.00  0.00           N  
HETATM   28  O   UNL     1       2.243   0.346   1.979  1.00  0.00           O  
HETATM   29  O   UNL     1       3.837   0.371  -1.051  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.397   1.120  -1.609  1.00  0.00           S  
HETATM   31  H   UNL     1      -1.112  -1.914   3.208  1.00  0.00           H  
HETATM   32  H   UNL     1       0.994  -1.151   2.193  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.983  -0.851   1.373  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.921   1.299  -1.706  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.266  -1.319   2.182  1.00  0.00           H  
HETATM   36  H   UNL     1       4.544   1.368   2.073  1.00  0.00           H  
HETATM   37  H   UNL     1       4.840  -0.228   1.344  1.00  0.00           H  
HETATM   38  H   UNL     1       6.863   1.201   1.211  1.00  0.00           H  
HETATM   39  H   UNL     1       6.232   0.833  -0.413  1.00  0.00           H  
HETATM   40  H   UNL     1       5.699   3.390   1.167  1.00  0.00           H  
HETATM   41  H   UNL     1       6.818   3.234  -0.209  1.00  0.00           H  
HETATM   42  H   UNL     1       4.634   4.154  -0.938  1.00  0.00           H  
HETATM   43  H   UNL     1       4.930   2.557  -1.668  1.00  0.00           H  
HETATM   44  H   UNL     1       2.612   2.725  -0.805  1.00  0.00           H  
HETATM   45  H   UNL     1       3.243   3.093   0.819  1.00  0.00           H  
HETATM   46  H   UNL     1       4.227  -1.221  -3.094  1.00  0.00           H  
HETATM   47  H   UNL     1       4.191  -3.681  -3.005  1.00  0.00           H  
HETATM   48  H   UNL     1       3.757  -4.831  -0.873  1.00  0.00           H  
HETATM   49  H   UNL     1       3.357  -3.525   1.175  1.00  0.00           H  
HETATM   50  H   UNL     1       3.392  -1.065   1.095  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.200   0.817  -0.903  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.144   0.927  -1.498  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.592  -0.988   1.360  1.00  0.00           H  
HETATM   54  H   UNL     1       1.288   0.440  -0.954  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.295   0.216  -0.502  1.00  0.00           H  
CONECT    1    2    9    9   31                                       
CONECT    2   10   10    1   32                                       
CONECT    3   26   26    4   25                                       
CONECT    4    5    5    3   30                                       
CONECT    5    6    4    4   33                                       
CONECT    6    8    5    7    7                                       
CONECT    7    6    6   30   34                                       
CONECT    8   24   24    9    6                                       
CONECT    9    1    1    8   35                                       
CONECT   10   27    2    2   24                                       
CONECT   11   12   28   28   27                                       
CONECT   12   13   17   29   11                                       
CONECT   13   14   12   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   12   44   45                                       
CONECT   18   23   29   19   19                                       
CONECT   19   18   18   20   46                                       
CONECT   20   21   21   19   47                                       
CONECT   21   22   20   20   48                                       
CONECT   22   23   23   21   49                                       
CONECT   23   22   22   18   50                                       
CONECT   24   10    8    8   51                                       
CONECT   25    3   52   55                                            
CONECT   26    3    3   53                                            
CONECT   27   11   10   54                                            
CONECT   28   11   11                                                 
CONECT   29   12   18                                                 
CONECT   30    4    7                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   25                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
