COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.235  -4.789   1.143  1.00  0.00           C  
HETATM    2  C   UNL     1       3.039  -3.874  -0.101  1.00  0.00           C  
HETATM    3  C   UNL     1       4.014  -2.991   0.394  1.00  0.00           C  
HETATM    4  N   UNL     1       5.083  -3.488   1.008  1.00  0.00           N  
HETATM    5  C   UNL     1       2.374  -1.859  -0.549  1.00  0.00           C  
HETATM    6  N   UNL     1       4.352  -5.657   0.685  1.00  0.00           N  
HETATM    7  C   UNL     1       3.249  -5.253   0.062  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.389  -1.863  -0.315  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.350  -1.605   1.133  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.602  -1.459   1.585  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.865  -1.236   2.752  1.00  0.00           O  
HETATM   12  N   UNL     1      -8.540  -1.581   0.636  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.885  -1.846  -0.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.248  -0.725  -1.648  1.00  0.00           C  
HETATM   15  S   UNL     1      -6.906   0.504  -1.381  1.00  0.00           S  
HETATM   16  C   UNL     1      -5.608  -0.756  -1.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.511  -0.179  -0.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.676   0.826  -0.947  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.579   1.402  -0.050  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.744   2.407  -0.846  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.664   2.974   0.038  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.571   2.610   1.191  1.00  0.00           O  
HETATM   23  N   UNL     1       0.199   3.886  -0.453  1.00  0.00           N  
HETATM   24  S   UNL     1       1.386   4.509   0.519  1.00  0.00           S  
HETATM   25  O   UNL     1       2.139   5.403  -0.290  1.00  0.00           O  
HETATM   26  O   UNL     1       0.751   4.903   1.727  1.00  0.00           O  
HETATM   27  O   UNL     1       2.322   3.364   0.879  1.00  0.00           O  
HETATM   28  C   UNL     1       3.190   2.967  -0.185  1.00  0.00           C  
HETATM   29  C   UNL     1       4.081   1.815   0.287  1.00  0.00           C  
HETATM   30  O   UNL     1       3.297   0.616   0.467  1.00  0.00           O  
HETATM   31  C   UNL     1       5.113   1.452  -0.804  1.00  0.00           C  
HETATM   32  O   UNL     1       6.374   2.063  -0.522  1.00  0.00           O  
HETATM   33  C   UNL     1       5.225  -0.086  -0.717  1.00  0.00           C  
HETATM   34  O   UNL     1       6.559  -0.473  -0.380  1.00  0.00           O  
HETATM   35  C   UNL     1       4.797  -0.730  -2.037  1.00  0.00           C  
HETATM   36  C   UNL     1       4.247  -0.471   0.415  1.00  0.00           C  
HETATM   37  N   UNL     1       3.567  -1.729   0.097  1.00  0.00           N  
HETATM   38  N   UNL     1       2.066  -3.118  -0.665  1.00  0.00           N  
HETATM   39  N   UNL     1       2.324  -6.171  -0.405  1.00  0.00           N  
HETATM   40  H   UNL     1       6.117  -5.160   1.643  1.00  0.00           H  
HETATM   41  H   UNL     1       1.773  -1.038  -0.912  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.962  -2.840  -0.541  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.546  -1.550   1.673  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.497  -1.506   0.776  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.195  -2.816  -1.043  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.233  -1.098  -2.673  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.222  -0.297  -1.409  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.188  -1.132  -1.981  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.966   0.322   0.702  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.869  -0.987   0.201  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.221   0.324  -1.801  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.318   1.633  -1.300  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.034   1.903   0.804  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.937   0.595   0.303  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.289   1.905  -1.700  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.386   3.214  -1.198  1.00  0.00           H  
HETATM   57  H   UNL     1       0.125   4.177  -1.375  1.00  0.00           H  
HETATM   58  H   UNL     1       2.595   2.640  -1.037  1.00  0.00           H  
HETATM   59  H   UNL     1       3.814   3.811  -0.479  1.00  0.00           H  
HETATM   60  H   UNL     1       4.587   2.083   1.214  1.00  0.00           H  
HETATM   61  H   UNL     1       4.752   1.755  -1.787  1.00  0.00           H  
HETATM   62  H   UNL     1       6.347   3.030  -0.504  1.00  0.00           H  
HETATM   63  H   UNL     1       7.223  -0.202  -1.029  1.00  0.00           H  
HETATM   64  H   UNL     1       5.456  -0.393  -2.837  1.00  0.00           H  
HETATM   65  H   UNL     1       4.858  -1.815  -1.949  1.00  0.00           H  
HETATM   66  H   UNL     1       3.771  -0.441  -2.266  1.00  0.00           H  
HETATM   67  H   UNL     1       4.779  -0.555   1.363  1.00  0.00           H  
HETATM   68  H   UNL     1       1.519  -5.864  -0.851  1.00  0.00           H  
HETATM   69  H   UNL     1       2.480  -7.121  -0.286  1.00  0.00           H  
CONECT    1    4    6    6   40                                       
CONECT    2    3   38    7    7                                       
CONECT    3   37    4    4    2                                       
CONECT    4    3    3    1                                            
CONECT    5   37   38   38   41                                       
CONECT    6    1    1    7                                            
CONECT    7    2    2    6   39                                       
CONECT    8    9   16   13   42                                       
CONECT    9    8   10   43                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   44                                            
CONECT   13    8   12   14   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   16   14                                                 
CONECT   16   17    8   15   48                                       
CONECT   17   18   16   49   50                                       
CONECT   18   19   17   51   52                                       
CONECT   19   20   18   53   54                                       
CONECT   20   21   19   55   56                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   57                                            
CONECT   24   26   26   25   25                                       
CONECT   24   27   23                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   58   59                                       
CONECT   29   28   31   30   60                                       
CONECT   30   29   36                                                 
CONECT   31   32   29   33   61                                       
CONECT   32   31   62                                                 
CONECT   33   34   31   36   35                                       
CONECT   34   33   63                                                 
CONECT   35   33   64   65   66                                       
CONECT   36   30   33   37   67                                       
CONECT   37   36    3    5                                            
CONECT   38    5    5    2                                            
CONECT   39    7   68   69                                            
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
