COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.264   4.113   1.386  1.00  0.00           C  
HETATM    2  C   UNL     1       4.491   3.523  -0.007  1.00  0.00           C  
HETATM    3  C   UNL     1       3.628   4.270  -1.025  1.00  0.00           C  
HETATM    4  C   UNL     1       5.967   3.666  -0.386  1.00  0.00           C  
HETATM    5  C   UNL     1       4.113   2.064  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       2.810   1.558  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       2.889   0.199   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.609  -1.182   0.003  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.432  -0.301   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.634  -0.255  -0.689  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.939   2.021   0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.740   1.973   0.698  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.989   0.815   0.699  1.00  0.00           C  
HETATM   14  C   UNL     1       4.735  -1.432   0.008  1.00  0.00           C  
HETATM   15  C   UNL     1       5.765  -4.000   0.006  1.00  0.00           C  
HETATM   16  C   UNL     1       6.424  -2.991  -0.674  1.00  0.00           C  
HETATM   17  C   UNL     1       5.909  -1.710  -0.679  1.00  0.00           C  
HETATM   18  N   UNL     1       1.815  -0.690   0.004  1.00  0.00           N  
HETATM   19  C   UNL     1       0.552  -0.221   0.001  1.00  0.00           C  
HETATM   20  O   UNL     1       0.349   0.975  -0.002  1.00  0.00           O  
HETATM   21  S   UNL     1      -2.162  -0.252  -0.001  1.00  0.00           S  
HETATM   22  C   UNL     1      -3.316  -1.584   0.001  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.029  -2.868   0.005  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.104  -3.569   0.007  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.141  -2.803   0.004  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.668  -1.479   0.005  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.385   0.904  -0.690  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.680   3.161   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.209  -0.133   0.004  1.00  0.00           N  
HETATM   30  N   UNL     1       4.949   1.057  -0.005  1.00  0.00           N  
HETATM   31  C   UNL     1       4.079  -2.445   0.694  1.00  0.00           C  
HETATM   32  C   UNL     1       4.596  -3.726   0.692  1.00  0.00           C  
HETATM   33  H   UNL     1       4.537   5.168   1.383  1.00  0.00           H  
HETATM   34  H   UNL     1       3.213   4.010   1.656  1.00  0.00           H  
HETATM   35  H   UNL     1       4.879   3.580   2.111  1.00  0.00           H  
HETATM   36  H   UNL     1       3.902   5.325  -1.028  1.00  0.00           H  
HETATM   37  H   UNL     1       3.790   3.850  -2.017  1.00  0.00           H  
HETATM   38  H   UNL     1       2.577   4.168  -0.755  1.00  0.00           H  
HETATM   39  H   UNL     1       6.582   3.133   0.339  1.00  0.00           H  
HETATM   40  H   UNL     1       6.129   3.245  -1.379  1.00  0.00           H  
HETATM   41  H   UNL     1       6.240   4.721  -0.389  1.00  0.00           H  
HETATM   42  H   UNL     1       1.901   2.142  -0.004  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.560  -1.812  -0.886  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.562  -1.807   0.894  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.982  -1.124  -1.227  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.393   2.843   1.235  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.056   0.778   1.242  1.00  0.00           H  
HETATM   48  H   UNL     1       6.170  -5.001   0.009  1.00  0.00           H  
HETATM   49  H   UNL     1       7.342  -3.206  -1.201  1.00  0.00           H  
HETATM   50  H   UNL     1       6.418  -0.925  -1.218  1.00  0.00           H  
HETATM   51  H   UNL     1       1.977  -1.646   0.006  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.319   0.942  -1.233  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.464   3.770  -0.720  1.00  0.00           H  
HETATM   54  H   UNL     1       3.166  -2.232   1.230  1.00  0.00           H  
HETATM   55  H   UNL     1       4.086  -4.515   1.225  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    5    3    4                                       
CONECT    3    2   36   37   38                                       
CONECT    4    2   39   40   41                                       
CONECT    5    6    2   30   30                                       
CONECT    6    7    7    5   42                                       
CONECT    7   18    6    6   29                                       
CONECT    8   21   19   43   44                                       
CONECT    9   13   13   10   26                                       
CONECT   10   27   27    9   45                                       
CONECT   11   28   12   12   27                                       
CONECT   12   11   11   13   46                                       
CONECT   13   12    9    9   47                                       
CONECT   14   29   31   31   17                                       
CONECT   15   32   32   16   48                                       
CONECT   16   17   17   15   49                                       
CONECT   17   14   16   16   50                                       
CONECT   18   19    7   51                                            
CONECT   19    8   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22    8                                                 
CONECT   22   26   23   23   21                                       
CONECT   23   24   22   22                                            
CONECT   24   25   25   23                                            
CONECT   25   26   24   24                                            
CONECT   26    9   25   22                                            
CONECT   27   11   10   10   52                                       
CONECT   28   11   53                                                 
CONECT   29    7   30   14                                            
CONECT   30    5    5   29                                            
CONECT   31   14   14   32   54                                       
CONECT   32   31   15   15   55                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
