COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.776  -2.154   0.186  1.00  0.00           O  
HETATM    2  C   UNL     1       3.171  -3.142  -0.181  1.00  0.00           C  
HETATM    3  O   UNL     1       3.839  -4.282  -0.442  1.00  0.00           O  
HETATM    4  C   UNL     1       1.703  -3.094  -0.335  1.00  0.00           C  
HETATM    5  C   UNL     1       1.019  -4.182  -0.880  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.352  -4.131  -1.021  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.050  -3.004  -0.624  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.379  -1.922  -0.083  1.00  0.00           C  
HETATM    9  C   UNL     1       0.992  -1.962   0.069  1.00  0.00           C  
HETATM   10  C   UNL     1       1.720  -0.785   0.665  1.00  0.00           C  
HETATM   11  C   UNL     1       2.309   0.071  -0.458  1.00  0.00           C  
HETATM   12  N   UNL     1       2.906   1.282   0.112  1.00  0.00           N  
HETATM   13  C   UNL     1       4.149   1.384   0.622  1.00  0.00           C  
HETATM   14  S   UNL     1       5.309   0.128   0.718  1.00  0.00           S  
HETATM   15  N   UNL     1       4.315   2.655   1.042  1.00  0.00           N  
HETATM   16  N   UNL     1       3.125   3.346   0.776  1.00  0.00           N  
HETATM   17  C   UNL     1       2.293   2.515   0.215  1.00  0.00           C  
HETATM   18  C   UNL     1       0.920   2.838  -0.233  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.022   1.822  -0.389  1.00  0.00           C  
HETATM   20  C   UNL     1       0.562   4.161  -0.497  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.719   4.458  -0.914  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.651   3.449  -1.073  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.305   2.131  -0.809  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.226   1.143  -0.962  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.530   1.534  -1.398  1.00  0.00           C  
HETATM   26  H   UNL     1       4.798  -4.266  -0.322  1.00  0.00           H  
HETATM   27  H   UNL     1       1.562  -5.062  -1.191  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.882  -4.972  -1.443  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.124  -2.969  -0.737  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.930  -1.045   0.225  1.00  0.00           H  
HETATM   31  H   UNL     1       1.025  -0.186   1.252  1.00  0.00           H  
HETATM   32  H   UNL     1       2.524  -1.143   1.308  1.00  0.00           H  
HETATM   33  H   UNL     1       3.075  -0.497  -0.986  1.00  0.00           H  
HETATM   34  H   UNL     1       1.518   0.350  -1.155  1.00  0.00           H  
HETATM   35  H   UNL     1       5.113   3.023   1.454  1.00  0.00           H  
HETATM   36  H   UNL     1       0.248   0.797  -0.183  1.00  0.00           H  
HETATM   37  H   UNL     1       1.288   4.951  -0.373  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.994   5.482  -1.118  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.652   3.688  -1.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.961   2.228  -0.676  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.457   2.020  -2.371  1.00  0.00           H  
HETATM   42  C   UNL     1      -4.422   0.296  -1.511  1.00  0.00           C  
HETATM   43  N   UNL     1      -4.617  -0.290  -0.179  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.653  -1.334  -0.209  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.782  -1.958   1.183  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.075  -0.932   2.135  1.00  0.00           O  
HETATM   47  C   UNL     1      -5.087   0.101   2.191  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.951   0.746   0.809  1.00  0.00           C  
HETATM   49  H   UNL     1      -5.388   0.581  -1.928  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.946  -0.435  -2.164  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.606  -0.892  -0.500  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.373  -2.103  -0.929  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.587  -2.692   1.179  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.845  -2.446   1.451  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.390   0.855   2.917  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.130  -0.328   2.489  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.159   1.494   0.833  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.893   1.220   0.535  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   26                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   27                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7    9   30                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   11   31   32                                       
CONECT   11   10   12   33   34                                       
CONECT   12   11   13   17                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   35                                            
CONECT   16   17   17   15                                            
CONECT   17   12   18   16   16                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18   23   36                                       
CONECT   20   21   21   18   37                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21   23   23   39                                       
CONECT   23   22   22   19   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   40   41   42                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25   43   49   50                                       
CONECT   43   42   44   48                                            
CONECT   44   43   45   51   52                                       
CONECT   45   44   46   53   54                                       
CONECT   46   45   47                                                 
CONECT   47   46   48   55   56                                       
CONECT   48   47   43   57   58                                       
CONECT   49   42                                                      
CONECT   50   42                                                      
CONECT   51   44                                                      
CONECT   52   44                                                      
CONECT   53   45                                                      
CONECT   54   45                                                      
CONECT   55   47                                                      
CONECT   56   47                                                      
CONECT   57   48                                                      
CONECT   58   48                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
