COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.432  -1.032   1.722  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.531  -0.025   2.392  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.316  -0.050   3.678  1.00  0.00           C  
HETATM    4  S   UNL     1      -3.983  -1.715   3.948  1.00  0.00           S  
HETATM    5  N   UNL     1      -1.940   1.114   1.985  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.177   1.138   0.734  1.00  0.00           C  
HETATM    7  C   UNL     1       0.266   0.787   1.028  1.00  0.00           C  
HETATM    8  C   UNL     1       0.668   0.937   2.303  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.300   2.512   0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.254   2.712  -0.985  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.182   1.481  -1.852  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.752   1.484  -3.108  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.676   0.352  -3.909  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.026  -0.788  -3.453  1.00  0.00           C  
HETATM   15  C   UNL     1       0.546  -0.800  -2.188  1.00  0.00           C  
HETATM   16  O   UNL     1       1.181  -1.912  -1.733  1.00  0.00           O  
HETATM   17  C   UNL     1       0.177  -2.760  -1.171  1.00  0.00           C  
HETATM   18  O   UNL     1       0.049  -1.892  -4.245  1.00  0.00           O  
HETATM   19  C   UNL     1       1.303  -1.826  -4.927  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.239   0.361  -5.146  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.822   1.653  -5.326  1.00  0.00           C  
HETATM   22  C   UNL     1       0.464   0.341  -1.385  1.00  0.00           C  
HETATM   23  C   UNL     1       1.066   0.328  -0.018  1.00  0.00           C  
HETATM   24  C   UNL     1       2.356  -0.122   0.083  1.00  0.00           C  
HETATM   25  C   UNL     1       3.208  -0.222   1.121  1.00  0.00           C  
HETATM   26  C   UNL     1       3.016   0.137   2.418  1.00  0.00           C  
HETATM   27  C   UNL     1       1.850   0.687   2.939  1.00  0.00           C  
HETATM   28  O   UNL     1       1.893   0.999   4.122  1.00  0.00           O  
HETATM   29  O   UNL     1       4.046  -0.060   3.277  1.00  0.00           O  
HETATM   30  C   UNL     1       5.157  -0.503   2.494  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.661   0.217   4.508  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.136   0.664   3.617  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.628  -1.522   5.112  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.019   1.920   2.520  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.592   0.397   0.051  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.098   1.331   2.954  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.295   2.620  -0.324  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.161   3.270   0.878  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.529   3.571  -1.597  1.00  0.00           H  
HETATM   40  H   UNL     1       0.718   2.891  -0.528  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.259   2.367  -3.468  1.00  0.00           H  
HETATM   42  H   UNL     1       0.650  -3.629  -0.713  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.381  -2.209  -0.414  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.501  -3.089  -1.957  1.00  0.00           H  
HETATM   45  H   UNL     1       1.449  -2.736  -5.509  1.00  0.00           H  
HETATM   46  H   UNL     1       1.309  -0.964  -5.594  1.00  0.00           H  
HETATM   47  H   UNL     1       2.108  -1.728  -4.199  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.288   1.707  -6.310  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.575   1.822  -4.557  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.047   2.415  -5.249  1.00  0.00           H  
HETATM   51  H   UNL     1       2.771  -0.464  -0.852  1.00  0.00           H  
HETATM   52  H   UNL     1       4.175  -0.646   0.892  1.00  0.00           H  
HETATM   53  H   UNL     1       6.037  -0.590   3.130  1.00  0.00           H  
HETATM   54  H   UNL     1       4.928  -1.474   2.055  1.00  0.00           H  
HETATM   55  H   UNL     1       5.352   0.217   1.700  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   31   32                                       
CONECT    4    3   33                                                 
CONECT    5    2    6   34                                            
CONECT    6    5    7    9   35                                       
CONECT    7    6    8    8   23                                       
CONECT    8    7    7   27   36                                       
CONECT    9    6   10   37   38                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   12   22   22                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14   20                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16   22                                       
CONECT   16   15   17                                                 
CONECT   17   16   42   43   44                                       
CONECT   18   14   19                                                 
CONECT   19   18   45   46   47                                       
CONECT   20   13   21                                                 
CONECT   21   20   48   49   50                                       
CONECT   22   11   11   15   23                                       
CONECT   23    7   22   24   24                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   52                                       
CONECT   26   25   25   27   29                                       
CONECT   27    8   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   26   30                                                 
CONECT   30   29   53   54   55                                       
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
