COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.549  -1.560   0.923  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.378  -2.587  -0.227  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.542  -2.456  -1.163  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.655  -1.852  -0.719  1.00  0.00           N  
HETATM    5  S   UNL     1      -6.375  -1.346   0.854  1.00  0.00           S  
HETATM    6  O   UNL     1      -7.057  -2.315   1.637  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.752   0.024   0.830  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.480  -2.888  -2.295  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.831  -0.270   0.623  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.894   0.223   1.512  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.235   1.406   1.236  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.511   2.096   0.070  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.451   1.605  -0.817  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.107   0.420  -0.543  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.791   3.385  -0.231  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.512   3.085  -1.014  1.00  0.00           C  
HETATM   17  C   UNL     1       0.144   4.379  -1.421  1.00  0.00           C  
HETATM   18  O   UNL     1       1.268   4.634  -1.044  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.519   5.253  -2.204  1.00  0.00           N  
HETATM   20  N   UNL     1       0.407   2.316  -0.171  1.00  0.00           N  
HETATM   21  C   UNL     1       1.334   1.518  -0.738  1.00  0.00           C  
HETATM   22  C   UNL     1       2.280   0.728   0.129  1.00  0.00           C  
HETATM   23  O   UNL     1       1.407   1.437  -1.945  1.00  0.00           O  
HETATM   24  N   UNL     1       3.183  -0.054  -0.719  1.00  0.00           N  
HETATM   25  C   UNL     1       3.098   1.686   0.998  1.00  0.00           C  
HETATM   26  C   UNL     1       3.954   0.893   1.951  1.00  0.00           C  
HETATM   27  C   UNL     1       5.229   0.509   1.579  1.00  0.00           C  
HETATM   28  C   UNL     1       6.014  -0.218   2.454  1.00  0.00           C  
HETATM   29  C   UNL     1       5.525  -0.562   3.700  1.00  0.00           C  
HETATM   30  C   UNL     1       4.251  -0.177   4.072  1.00  0.00           C  
HETATM   31  C   UNL     1       3.467   0.554   3.200  1.00  0.00           C  
HETATM   32  C   UNL     1       3.752  -1.178  -0.241  1.00  0.00           C  
HETATM   33  O   UNL     1       3.516  -1.544   0.894  1.00  0.00           O  
HETATM   34  C   UNL     1       4.663  -1.967  -1.098  1.00  0.00           C  
HETATM   35  C   UNL     1       5.254  -3.132  -0.606  1.00  0.00           C  
HETATM   36  C   UNL     1       6.103  -3.864  -1.410  1.00  0.00           C  
HETATM   37  C   UNL     1       6.369  -3.445  -2.702  1.00  0.00           C  
HETATM   38  C   UNL     1       5.787  -2.291  -3.195  1.00  0.00           C  
HETATM   39  C   UNL     1       4.931  -1.553  -2.403  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.232  -1.976   1.880  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.452  -2.385  -0.765  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.349  -3.596   0.183  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.476  -1.730  -1.220  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.678  -0.316   2.423  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.503   1.792   1.931  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.667   2.144  -1.727  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.838   0.035  -1.238  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.537   3.886   0.703  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.437   4.032  -0.825  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.758   2.506  -1.904  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.097   6.086  -2.466  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.417   5.047  -2.509  1.00  0.00           H  
HETATM   53  H   UNL     1       0.349   2.381   0.795  1.00  0.00           H  
HETATM   54  H   UNL     1       1.709   0.055   0.769  1.00  0.00           H  
HETATM   55  H   UNL     1       3.371   0.238  -1.625  1.00  0.00           H  
HETATM   56  H   UNL     1       3.735   2.299   0.361  1.00  0.00           H  
HETATM   57  H   UNL     1       2.423   2.328   1.564  1.00  0.00           H  
HETATM   58  H   UNL     1       5.611   0.777   0.606  1.00  0.00           H  
HETATM   59  H   UNL     1       7.010  -0.519   2.163  1.00  0.00           H  
HETATM   60  H   UNL     1       6.139  -1.131   4.383  1.00  0.00           H  
HETATM   61  H   UNL     1       3.868  -0.446   5.046  1.00  0.00           H  
HETATM   62  H   UNL     1       2.471   0.854   3.490  1.00  0.00           H  
HETATM   63  H   UNL     1       5.047  -3.460   0.402  1.00  0.00           H  
HETATM   64  H   UNL     1       6.561  -4.765  -1.031  1.00  0.00           H  
HETATM   65  H   UNL     1       7.035  -4.021  -3.327  1.00  0.00           H  
HETATM   66  H   UNL     1       5.999  -1.969  -4.204  1.00  0.00           H  
HETATM   67  H   UNL     1       4.477  -0.653  -2.790  1.00  0.00           H  
CONECT    1    2    5    9   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   43                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   44                                       
CONECT   11   10   12   12   45                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   46                                       
CONECT   14    9   13   13   47                                       
CONECT   15   12   16   48   49                                       
CONECT   16   15   17   20   50                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   51   52                                            
CONECT   20   16   21   53                                            
CONECT   21   20   22   23   23                                       
CONECT   22   21   24   25   54                                       
CONECT   23   21   21                                                 
CONECT   24   22   32   55                                            
CONECT   25   22   26   56   57                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   58                                       
CONECT   28   27   29   29   59                                       
CONECT   29   28   28   30   60                                       
CONECT   30   29   31   31   61                                       
CONECT   31   26   30   30   62                                       
CONECT   32   24   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   35   39                                       
CONECT   35   34   34   36   63                                       
CONECT   36   35   37   37   64                                       
CONECT   37   36   36   38   65                                       
CONECT   38   37   39   39   66                                       
CONECT   39   34   38   38   67                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
