COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.308   0.613   0.622  1.00  0.00           C  
HETATM    2  N   UNL     1       4.856   2.170   0.055  1.00  0.00           N  
HETATM    3  O   UNL     1      -7.687  -0.766   0.592  1.00  0.00           O  
HETATM    4  S   UNL     1       1.577  -0.905  -0.048  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.598  -0.929  -0.184  1.00  0.00           C  
HETATM    6  N   UNL     1       3.209   3.822  -0.036  1.00  0.00           N  
HETATM    7  O   UNL     1       4.040  -2.444   0.075  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.085  -1.505  -0.475  1.00  0.00           C  
HETATM    9  N   UNL     1       6.161  -1.790   0.160  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.562  -1.423  -0.350  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.150  -0.012  -0.349  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.168   1.361  -0.280  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.786   0.716   0.758  1.00  0.00           C  
HETATM   14  C   UNL     1       1.131   1.613  -0.098  1.00  0.00           C  
HETATM   15  C   UNL     1       2.573   1.487  -0.034  1.00  0.00           C  
HETATM   16  C   UNL     1       2.980   0.151  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       3.577   2.490  -0.004  1.00  0.00           C  
HETATM   18  C   UNL     1       4.367  -0.136   0.063  1.00  0.00           C  
HETATM   19  C   UNL     1       4.841  -1.529   0.099  1.00  0.00           C  
HETATM   20  C   UNL     1       5.273   0.919   0.090  1.00  0.00           C  
HETATM   21  C   UNL     1       0.471   0.455  -0.112  1.00  0.00           C  
HETATM   22  C   UNL     1       6.633  -3.177   0.196  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.000   0.333  -0.174  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.970  -1.040  -0.242  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.760   0.103  -0.290  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.796   1.479  -0.222  1.00  0.00           C  
HETATM   27  H   UNL     1      -7.624   1.098  -0.302  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.783   1.103   1.471  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.985  -1.818  -0.151  1.00  0.00           H  
HETATM   30  H   UNL     1       3.889   4.513  -0.015  1.00  0.00           H  
HETATM   31  H   UNL     1       2.271   4.065  -0.079  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.400  -2.547  -0.418  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.395  -1.082  -1.431  1.00  0.00           H  
HETATM   34  H   UNL     1       6.800  -1.060   0.180  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.248  -1.895   0.582  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.099  -1.937  -1.192  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.784   2.248  -0.318  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.488   1.764   0.724  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.476   0.279   1.707  1.00  0.00           H  
HETATM   40  H   UNL     1       0.631   2.570  -0.131  1.00  0.00           H  
HETATM   41  H   UNL     1       6.332   0.711   0.137  1.00  0.00           H  
HETATM   42  H   UNL     1       6.225  -3.676   1.075  1.00  0.00           H  
HETATM   43  H   UNL     1       6.303  -3.696  -0.703  1.00  0.00           H  
HETATM   44  H   UNL     1       7.722  -3.189   0.244  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.433  -2.016  -0.250  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.337   2.456  -0.215  1.00  0.00           H  
CONECT    1    3   13   27   28                                       
CONECT    2   17   17   20                                            
CONECT    3    1    8                                                 
CONECT    4   16   21                                                 
CONECT    5   23   23   24   29                                       
CONECT    6   17   30   31                                            
CONECT    7   19   19                                                 
CONECT    8    3   10   32   33                                       
CONECT    9   19   22   34                                            
CONECT   10    8   11   35   36                                       
CONECT   11   10   13   25                                            
CONECT   12   25   26   26   37                                       
CONECT   13    1   11   38   39                                       
CONECT   14   15   21   21   40                                       
CONECT   15   14   16   16   17                                       
CONECT   16    4   15   15   18                                       
CONECT   17    2    2    6   15                                       
CONECT   18   16   19   20   20                                       
CONECT   19    7    7    9   18                                       
CONECT   20    2   18   18   41                                       
CONECT   21    4   14   14   23                                       
CONECT   22    9   42   43   44                                       
CONECT   23    5    5   21   26                                       
CONECT   24    5   25   25   45                                       
CONECT   25   11   12   24   24                                       
CONECT   26   12   12   23   46                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
