COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.388  -1.600   0.557  1.00  0.00           O  
HETATM    2  C   UNL     1       2.075  -0.639  -0.114  1.00  0.00           C  
HETATM    3  C   UNL     1       3.133   0.322  -0.591  1.00  0.00           C  
HETATM    4  C   UNL     1       4.504  -0.140  -0.094  1.00  0.00           C  
HETATM    5  N   UNL     1       5.533   0.794  -0.558  1.00  0.00           N  
HETATM    6  C   UNL     1       6.872   0.579  -0.228  1.00  0.00           C  
HETATM    7  C   UNL     1       7.849   1.464  -0.667  1.00  0.00           C  
HETATM    8  C   UNL     1       9.173   1.249  -0.337  1.00  0.00           C  
HETATM    9  C   UNL     1       9.527   0.153   0.428  1.00  0.00           C  
HETATM   10  C   UNL     1       8.557  -0.730   0.867  1.00  0.00           C  
HETATM   11  C   UNL     1       7.231  -0.518   0.546  1.00  0.00           C  
HETATM   12  N   UNL     1       0.783  -0.435  -0.438  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.189  -1.322  -0.004  1.00  0.00           C  
HETATM   14  S   UNL     1       0.119  -2.701   0.948  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.525  -1.204  -0.278  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.316  -2.275   0.303  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.787  -2.382   0.154  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.364  -3.581  -0.261  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.734  -3.674  -0.398  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.535  -2.580  -0.124  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.969  -1.387   0.288  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.600  -1.284   0.434  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.575  -3.155   0.987  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.095  -0.113  -1.071  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.203  -0.230  -2.278  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.501   1.021  -0.466  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.072   2.112  -1.259  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.441   3.255  -0.349  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.702   3.309   0.216  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.041   4.357   1.050  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.119   5.352   1.320  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.858   5.297   0.756  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.518   4.247  -0.075  1.00  0.00           C  
HETATM   34  H   UNL     1       3.132   0.352  -1.681  1.00  0.00           H  
HETATM   35  H   UNL     1       2.922   1.318  -0.201  1.00  0.00           H  
HETATM   36  H   UNL     1       4.505  -0.170   0.995  1.00  0.00           H  
HETATM   37  H   UNL     1       4.715  -1.136  -0.485  1.00  0.00           H  
HETATM   38  H   UNL     1       5.283   1.563  -1.095  1.00  0.00           H  
HETATM   39  H   UNL     1       7.573   2.320  -1.265  1.00  0.00           H  
HETATM   40  H   UNL     1       9.932   1.937  -0.679  1.00  0.00           H  
HETATM   41  H   UNL     1      10.563  -0.013   0.684  1.00  0.00           H  
HETATM   42  H   UNL     1       8.837  -1.582   1.469  1.00  0.00           H  
HETATM   43  H   UNL     1       6.474  -1.208   0.889  1.00  0.00           H  
HETATM   44  H   UNL     1       0.534   0.334  -0.975  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.739  -4.436  -0.475  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.181  -4.603  -0.719  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.607  -2.658  -0.233  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.599  -0.536   0.500  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.160  -0.354   0.760  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.967  -4.023   1.497  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.415   1.114   0.496  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.338   2.452  -1.990  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.963   1.757  -1.777  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.422   2.532   0.005  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.026   4.400   1.491  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.384   6.171   1.972  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.139   6.074   0.967  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.532   4.202  -0.513  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5    3   36   37                                       
CONECT    5    4    6   38                                            
CONECT    6   11    5    7    7                                       
CONECT    7    6    6    8   39                                       
CONECT    8    9    9    7   40                                       
CONECT    9   10    8    8   41                                       
CONECT   10   11   11    9   42                                       
CONECT   11   10   10    6   43                                       
CONECT   12    2   13   44                                            
CONECT   13   14   12   15   15                                       
CONECT   14   23   13                                                 
CONECT   15   13   13   16   24                                       
CONECT   16   23   23   15   17                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   45                                       
CONECT   19   18   20   20   46                                       
CONECT   20   19   19   21   47                                       
CONECT   21   22   22   20   48                                       
CONECT   22   17   21   21   49                                       
CONECT   23   14   16   16   50                                       
CONECT   24   15   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   51                                            
CONECT   27   26   28   52   53                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   54                                       
CONECT   30   29   31   31   55                                       
CONECT   31   30   30   32   56                                       
CONECT   32   33   33   31   57                                       
CONECT   33   28   32   32   58                                       
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
