COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.511   2.075   0.590  1.00  0.00           C  
HETATM    2  C   UNL     1       1.848   0.736   0.599  1.00  0.00           C  
HETATM    3  C   UNL     1       0.864  -0.238   0.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.460   0.131   0.197  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.813   1.475   0.185  1.00  0.00           C  
HETATM    6  C   UNL     1       0.175   2.454   0.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.512   3.745   0.318  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.810   3.488   0.088  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.301   1.487  -0.232  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.694   0.682   0.980  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.996   0.235   1.110  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.347  -0.505   2.228  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.371  -0.769   3.178  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.091  -0.289   2.980  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.189   0.575  -1.426  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.016  -0.090  -3.295  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.958  -1.056  -3.591  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.062  -1.200  -2.764  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.174  -0.366  -1.662  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.364   2.554  -0.503  1.00  0.00           C  
HETATM   21  C   UNL     1       3.774   2.623  -1.603  1.00  0.00           C  
HETATM   22  C   UNL     1       5.127   2.401  -2.282  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.791   0.408   1.901  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.009   2.135   0.010  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.155   0.687  -2.237  1.00  0.00           N  
HETATM   26  N   UNL     1       2.494   3.046   0.787  1.00  0.00           N  
HETATM   27  C   UNL     1       1.235  -1.674   0.414  1.00  0.00           C  
HETATM   28  C   UNL     1       1.106  -2.448  -0.760  1.00  0.00           C  
HETATM   29  C   UNL     1       1.454  -3.769  -0.727  1.00  0.00           C  
HETATM   30  C   UNL     1       1.935  -4.328   0.478  1.00  0.00           C  
HETATM   31  C   UNL     1       1.709  -2.249   1.557  1.00  0.00           C  
HETATM   32  C   UNL     1       1.711  -5.976  -1.833  1.00  0.00           C  
HETATM   33  S   UNL     1       4.018   2.816   0.184  1.00  0.00           S  
HETATM   34  O   UNL     1       4.443   1.590   0.764  1.00  0.00           O  
HETATM   35  O   UNL     1       4.695   4.033   0.466  1.00  0.00           O  
HETATM   36  N   UNL     1       1.336  -4.560  -1.876  1.00  0.00           N  
HETATM   37  N   UNL     1       2.046  -3.565   1.582  1.00  0.00           N  
HETATM   38  C   UNL     1       2.546  -4.159   2.824  1.00  0.00           C  
HETATM   39  O   UNL     1       2.249  -5.506   0.520  1.00  0.00           O  
HETATM   40  H   UNL     1       2.874   0.440   0.758  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.214  -0.627   0.045  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.061   4.720   0.430  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.582   4.236  -0.016  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.730   0.460   0.350  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.356  -0.867   2.357  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.610  -1.342   4.062  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.326  -0.490   3.715  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.156   0.031  -3.936  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.839  -1.689  -4.458  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.814  -1.947  -2.971  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.021  -0.450  -0.997  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.325   2.072  -0.683  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.444   3.214   0.361  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.079   3.136  -1.379  1.00  0.00           H  
HETATM   55  H   UNL     1       3.309   3.523  -2.005  1.00  0.00           H  
HETATM   56  H   UNL     1       3.128   1.765  -1.791  1.00  0.00           H  
HETATM   57  H   UNL     1       5.592   1.501  -1.880  1.00  0.00           H  
HETATM   58  H   UNL     1       4.980   2.285  -3.356  1.00  0.00           H  
HETATM   59  H   UNL     1       5.773   3.258  -2.094  1.00  0.00           H  
HETATM   60  H   UNL     1       2.283   3.857   1.277  1.00  0.00           H  
HETATM   61  H   UNL     1       0.737  -2.003  -1.671  1.00  0.00           H  
HETATM   62  H   UNL     1       1.811  -1.654   2.452  1.00  0.00           H  
HETATM   63  H   UNL     1       2.763  -6.064  -1.559  1.00  0.00           H  
HETATM   64  H   UNL     1       1.099  -6.491  -1.093  1.00  0.00           H  
HETATM   65  H   UNL     1       1.552  -6.424  -2.813  1.00  0.00           H  
HETATM   66  H   UNL     1       1.005  -4.171  -2.701  1.00  0.00           H  
HETATM   67  H   UNL     1       2.770  -5.213   2.658  1.00  0.00           H  
HETATM   68  H   UNL     1       3.452  -3.639   3.137  1.00  0.00           H  
HETATM   69  H   UNL     1       1.787  -4.067   3.601  1.00  0.00           H  
CONECT    1    6    6    2   26                                       
CONECT    2    3    3    1   40                                       
CONECT    3    4   27    2    2                                       
CONECT    4    5    5    3   41                                       
CONECT    5   24    4    4    6                                       
CONECT    6    5    7    1    1                                       
CONECT    7    8    8    6   42                                       
CONECT    8   24    7    7   43                                       
CONECT    9   20   10   15   24                                       
CONECT   10   11    9   23   23                                       
CONECT   11   12   12   10   44                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   23   47                                       
CONECT   15   19    9   25   25                                       
CONECT   16   17   17   25   48                                       
CONECT   17   18   16   16   49                                       
CONECT   18   19   19   17   50                                       
CONECT   19   18   18   15   51                                       
CONECT   20    9   52   53   54                                       
CONECT   21   33   22   55   56                                       
CONECT   22   21   57   58   59                                       
CONECT   23   10   10   14                                            
CONECT   24    9    8    5                                            
CONECT   25   15   15   16                                            
CONECT   26    1   33   60                                            
CONECT   27   28    3   31   31                                       
CONECT   28   29   29   27   61                                       
CONECT   29   36   28   28   30                                       
CONECT   30   29   39   39   37                                       
CONECT   31   27   27   37   62                                       
CONECT   32   36   63   64   65                                       
CONECT   33   26   35   35   34                                       
CONECT   33   34   21                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   32   29   66                                            
CONECT   37   30   31   38                                            
CONECT   38   37   67   68   69                                       
CONECT   39   30   30                                                 
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   36                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
