COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.132  -4.414   0.157  1.00  0.00           O  
HETATM    2  C   UNL     1       1.405  -3.130  -0.124  1.00  0.00           C  
HETATM    3  O   UNL     1       1.705  -2.808  -1.249  1.00  0.00           O  
HETATM    4  C   UNL     1       1.337  -2.090   0.965  1.00  0.00           C  
HETATM    5  N   UNL     1       1.676  -0.778   0.409  1.00  0.00           N  
HETATM    6  C   UNL     1       2.925  -0.199   0.424  1.00  0.00           C  
HETATM    7  C   UNL     1       4.158  -0.613   0.919  1.00  0.00           C  
HETATM    8  C   UNL     1       5.261   0.200   0.787  1.00  0.00           C  
HETATM    9  C   UNL     1       5.157   1.441   0.161  1.00  0.00           C  
HETATM   10  O   UNL     1       6.257   2.231   0.041  1.00  0.00           O  
HETATM   11  C   UNL     1       7.481   1.726   0.578  1.00  0.00           C  
HETATM   12  C   UNL     1       3.946   1.871  -0.337  1.00  0.00           C  
HETATM   13  C   UNL     1       2.815   1.054  -0.210  1.00  0.00           C  
HETATM   14  C   UNL     1       1.462   1.201  -0.603  1.00  0.00           C  
HETATM   15  C   UNL     1       0.796   0.079  -0.223  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.634  -0.180  -0.446  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.150  -1.180   0.016  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.373   0.691  -1.162  1.00  0.00           N  
HETATM   19  S   UNL     1      -3.007   0.466  -1.307  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.495   1.554  -2.080  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.194  -0.894  -1.674  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.662   0.637   0.205  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.113   1.950   0.691  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.540   1.802   1.230  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.577   0.729   2.174  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.252  -0.549   1.620  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.815  -0.522   1.099  1.00  0.00           C  
HETATM   28  H   UNL     1       1.188  -5.045  -0.574  1.00  0.00           H  
HETATM   29  H   UNL     1       0.329  -2.061   1.377  1.00  0.00           H  
HETATM   30  H   UNL     1       2.045  -2.344   1.754  1.00  0.00           H  
HETATM   31  H   UNL     1       4.249  -1.572   1.406  1.00  0.00           H  
HETATM   32  H   UNL     1       6.215  -0.126   1.173  1.00  0.00           H  
HETATM   33  H   UNL     1       7.364   1.549   1.647  1.00  0.00           H  
HETATM   34  H   UNL     1       7.737   0.790   0.081  1.00  0.00           H  
HETATM   35  H   UNL     1       8.277   2.453   0.415  1.00  0.00           H  
HETATM   36  H   UNL     1       3.869   2.833  -0.822  1.00  0.00           H  
HETATM   37  H   UNL     1       1.037   2.051  -1.116  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.947   1.449  -1.592  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.453   2.293   1.488  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.103   2.668  -0.129  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.842   2.728   1.720  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.220   1.588   0.406  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.347  -1.314   2.391  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.931  -0.773   0.798  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.608  -1.440   0.549  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.125  -0.432   1.937  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   29   30                                       
CONECT    5    6    4   15                                            
CONECT    6    7    7   13    5                                       
CONECT    7    8    6    6   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9   10    8    8   12                                       
CONECT   10   11    9                                                 
CONECT   11   10   33   34   35                                       
CONECT   12    9   13   13   36                                       
CONECT   13   12   12    6   14                                       
CONECT   14   13   15   15   37                                       
CONECT   15    5   14   14   16                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   38                                            
CONECT   19   18   22   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   27   19                                            
CONECT   23   22   24   39   40                                       
CONECT   24   23   25   41   42                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   43   44                                       
CONECT   27   22   26   45   46                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
