COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.641   0.665   1.484  1.00  0.00           C  
HETATM    2  N   UNL     1       6.288  -1.056  -0.133  1.00  0.00           N  
HETATM    3  C   UNL     1       7.855  -0.479   1.658  1.00  0.00           C  
HETATM    4  C   UNL     1       6.775  -2.429  -0.325  1.00  0.00           C  
HETATM    5  C   UNL     1       6.601  -0.341  -2.454  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.630   3.383   1.887  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.021   3.612   1.269  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.468   2.921   0.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.477   3.943  -3.082  1.00  0.00           C  
HETATM   10  C   UNL     1       1.584   0.255   0.011  1.00  0.00           C  
HETATM   11  C   UNL     1       2.006   1.419   0.655  1.00  0.00           C  
HETATM   12  C   UNL     1       1.086   2.458   0.818  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.209   2.299   0.337  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.575   1.182  -0.270  1.00  0.00           N  
HETATM   15  C   UNL     1       0.269   0.171  -0.445  1.00  0.00           C  
HETATM   16  C   UNL     1       3.395   1.549   1.155  1.00  0.00           C  
HETATM   17  N   UNL     1       4.268   0.536   0.990  1.00  0.00           N  
HETATM   18  O   UNL     1       3.746   2.569   1.715  1.00  0.00           O  
HETATM   19  C   UNL     1       6.384  -0.656   1.277  1.00  0.00           C  
HETATM   20  C   UNL     1       7.012  -0.115  -0.998  1.00  0.00           C  
HETATM   21  C   UNL     1       5.771  -3.415   0.274  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.190  -1.053  -1.135  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.130   3.328   0.495  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.878   3.587  -1.278  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.094   4.298  -1.870  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.116   3.392  -1.773  1.00  0.00           N  
HETATM   27  C   UNL     1       0.487  -1.737  -2.153  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.228  -2.773  -2.515  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.402  -2.815  -1.753  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.382  -1.752  -0.889  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.461  -3.682  -1.745  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.480  -3.472  -0.883  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.430  -2.361  -0.009  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.387  -1.544  -0.037  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.532  -2.117   0.938  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.549  -1.153   1.885  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.692  -1.120   2.651  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.610  -2.044   2.343  1.00  0.00           C  
HETATM   39  S   UNL     1      -6.034  -3.030   1.005  1.00  0.00           S  
HETATM   40  H   UNL     1       6.152   1.458   0.937  1.00  0.00           H  
HETATM   41  H   UNL     1       5.624   0.910   2.546  1.00  0.00           H  
HETATM   42  H   UNL     1       8.384  -1.421   1.511  1.00  0.00           H  
HETATM   43  H   UNL     1       8.303   0.291   1.031  1.00  0.00           H  
HETATM   44  H   UNL     1       7.926  -0.182   2.705  1.00  0.00           H  
HETATM   45  H   UNL     1       6.889  -2.628  -1.390  1.00  0.00           H  
HETATM   46  H   UNL     1       7.739  -2.545   0.172  1.00  0.00           H  
HETATM   47  H   UNL     1       6.779  -1.382  -2.724  1.00  0.00           H  
HETATM   48  H   UNL     1       5.543  -0.111  -2.573  1.00  0.00           H  
HETATM   49  H   UNL     1       7.190   0.308  -3.102  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.256   4.235   2.454  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.539   2.440   2.425  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.817   3.054   1.762  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.268   4.664   1.122  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.621   1.842  -0.002  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.511   3.685  -3.312  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.370   5.028  -3.061  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.820   3.527  -3.845  1.00  0.00           H  
HETATM   58  H   UNL     1       2.268  -0.568  -0.138  1.00  0.00           H  
HETATM   59  H   UNL     1       1.376   3.373   1.313  1.00  0.00           H  
HETATM   60  H   UNL     1       3.988  -0.278   0.543  1.00  0.00           H  
HETATM   61  H   UNL     1       5.936  -1.427   1.905  1.00  0.00           H  
HETATM   62  H   UNL     1       6.769   0.907  -0.706  1.00  0.00           H  
HETATM   63  H   UNL     1       8.085  -0.277  -0.893  1.00  0.00           H  
HETATM   64  H   UNL     1       5.618  -3.183   1.328  1.00  0.00           H  
HETATM   65  H   UNL     1       4.822  -3.335  -0.257  1.00  0.00           H  
HETATM   66  H   UNL     1       6.156  -4.430   0.178  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.768   2.886  -1.263  1.00  0.00           H  
HETATM   68  H   UNL     1       1.443  -1.457  -2.571  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.481  -4.524  -2.420  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.324  -4.146  -0.862  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.730  -0.464   2.030  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.836  -0.403   3.447  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.562  -2.163   2.838  1.00  0.00           H  
CONECT    1   19   17   40   41                                       
CONECT    2   20    4   19                                            
CONECT    3   19   42   43   44                                       
CONECT    4    2   21   45   46                                       
CONECT    5   20   47   48   49                                       
CONECT    6   23    7   50   51                                       
CONECT    7    8    6   52   53                                       
CONECT    8   24   23    7   54                                       
CONECT    9   26   55   56   57                                       
CONECT   10   11   11   15   58                                       
CONECT   11   16   10   10   12                                       
CONECT   12   11   13   13   59                                       
CONECT   13   12   12   14   23                                       
CONECT   14   15   15   13                                            
CONECT   15   10   22   14   14                                       
CONECT   16   17   18   18   11                                       
CONECT   17    1   16   60                                            
CONECT   18   16   16                                                 
CONECT   19    3    2    1   61                                       
CONECT   20    5    2   62   63                                       
CONECT   21    4   64   65   66                                       
CONECT   22   30   30   15   27                                       
CONECT   23   13    8    6                                            
CONECT   24   25   25   26    8                                       
CONECT   25   24   24                                                 
CONECT   26    9   24   67                                            
CONECT   27   22   28   28   68                                       
CONECT   28   29   27   27                                            
CONECT   29   31   30   28                                            
CONECT   30   34   29   22   22                                       
CONECT   31   32   32   29   69                                       
CONECT   32   33   31   31   70                                       
CONECT   33   35   32   34   34                                       
CONECT   34   33   33   30                                            
CONECT   35   36   36   39   33                                       
CONECT   36   37   35   35   71                                       
CONECT   37   38   38   36   72                                       
CONECT   38   37   37   39   73                                       
CONECT   39   38   35                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
