COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.457   1.007  -0.121  1.00  0.00           C  
HETATM    2  C   UNL     1       4.544   0.663  -1.127  1.00  0.00           C  
HETATM    3  C   UNL     1       3.212   0.630  -0.849  1.00  0.00           C  
HETATM    4  C   UNL     1       2.736   0.936   0.431  1.00  0.00           C  
HETATM    5  C   UNL     1       3.609   1.278   1.443  1.00  0.00           C  
HETATM    6  C   UNL     1       0.432   0.531  -0.384  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.922   1.124  -0.091  1.00  0.00           C  
HETATM    8  C   UNL     1       0.317  -0.970  -0.463  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.678   1.659  -1.118  1.00  0.00           C  
HETATM   10  C   UNL     1       5.927   1.654   2.171  1.00  0.00           C  
HETATM   11  C   UNL     1       4.983   1.318   1.179  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.633   1.497   2.531  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.648   1.675   1.477  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.017   2.828   2.094  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.492  -1.536  -1.380  1.00  0.00           N  
HETATM   16  S   UNL     1      -0.618  -3.185  -1.467  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.352  -3.732   0.039  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.726  -3.837   0.140  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.302  -4.266   1.322  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.502  -4.589   2.402  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.128  -4.484   2.301  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.552  -4.061   1.118  1.00  0.00           C  
HETATM   23  N   UNL     1       7.670   1.374   0.622  1.00  0.00           N  
HETATM   24  C   UNL     1       7.247   1.668   1.844  1.00  0.00           C  
HETATM   25  C   UNL     1       6.848   1.050  -0.359  1.00  0.00           C  
HETATM   26  N   UNL     1       7.348   0.753  -1.615  1.00  0.00           N  
HETATM   27  N   UNL     1       1.365   0.893   0.686  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.922   2.204  -0.851  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.410   2.212   0.453  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.408   1.127   1.203  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.632   2.746   0.720  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.667   2.731  -1.860  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.103   2.688  -3.172  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.077   3.322  -4.167  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.046   3.948   2.269  1.00  0.00           C  
HETATM   36  O   UNL     1       0.952  -1.667   0.299  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.559  -3.461  -2.495  1.00  0.00           O  
HETATM   38  O   UNL     1       0.710  -3.690  -1.473  1.00  0.00           O  
HETATM   39  H   UNL     1       4.896   0.426  -2.120  1.00  0.00           H  
HETATM   40  H   UNL     1       2.513   0.364  -1.628  1.00  0.00           H  
HETATM   41  H   UNL     1       3.236   1.514   2.429  1.00  0.00           H  
HETATM   42  H   UNL     1       0.800   0.918  -1.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.297   1.651  -2.129  1.00  0.00           H  
HETATM   44  H   UNL     1       5.607   1.897   3.174  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.927   1.560   3.579  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.509   1.284   1.920  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.900   0.700   2.406  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.024   1.681   2.490  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.141   3.042   2.705  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.999  -0.978  -1.990  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.351  -3.584  -0.704  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.376  -4.347   1.401  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.952  -4.923   3.326  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.503  -4.736   3.145  1.00  0.00           H  
HETATM   55  H   UNL     1       0.522  -3.978   1.039  1.00  0.00           H  
HETATM   56  H   UNL     1       7.971   1.926   2.602  1.00  0.00           H  
HETATM   57  H   UNL     1       6.742   0.515  -2.334  1.00  0.00           H  
HETATM   58  H   UNL     1       8.304   0.783  -1.776  1.00  0.00           H  
HETATM   59  H   UNL     1       1.030   1.104   1.571  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.817   0.705   2.002  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.163   3.241  -3.182  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.918   1.652  -3.455  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.017   2.770  -4.157  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.262   4.358  -3.885  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.647   3.290  -5.168  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.340   4.010   3.316  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.608   4.896   1.957  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.923   3.734   1.657  1.00  0.00           H  
CONECT    1    2    2   11   25                                       
CONECT    2    3    1    1   39                                       
CONECT    3    4    4    2   40                                       
CONECT    4   27    3    3    5                                       
CONECT    5    4   11   11   41                                       
CONECT    6    8   27    7   42                                       
CONECT    7    9    6   30   30                                       
CONECT    8   36   36   15    6                                       
CONECT    9   28   28    7   43                                       
CONECT   10   11   24   24   44                                       
CONECT   11    5    5    1   10                                       
CONECT   12   14   45   46   47                                       
CONECT   13   29   29   30   48                                       
CONECT   14   31   12   35   49                                       
CONECT   15   16    8   50                                            
CONECT   16   17   38   38   37                                       
CONECT   16   37   15                                                 
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   51                                       
CONECT   19   20   18   18   52                                       
CONECT   20   21   21   19   53                                       
CONECT   21   20   20   22   54                                       
CONECT   22   21   17   17   55                                       
CONECT   23   25   25   24                                            
CONECT   24   10   10   23   56                                       
CONECT   25    1   26   23   23                                       
CONECT   26   25   57   58                                            
CONECT   27    6    4   59                                            
CONECT   28   32    9    9   29                                       
CONECT   29   28   31   13   13                                       
CONECT   30    7    7   13   60                                       
CONECT   31   29   14                                                 
CONECT   32   33   28                                                 
CONECT   33   34   32   61   62                                       
CONECT   34   33   63   64   65                                       
CONECT   35   14   66   67   68                                       
CONECT   36    8    8                                                 
CONECT   37   16   16                                                 
CONECT   38   16   16                                                 
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
