COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.718  -0.506   1.122  1.00  0.00           O  
HETATM    2  C   UNL     1       5.840  -0.051   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       7.172   0.490  -0.448  1.00  0.00           C  
HETATM    4  C   UNL     1       8.191   0.349   0.685  1.00  0.00           C  
HETATM    5  N   UNL     1       9.489   0.877   0.245  1.00  0.00           N  
HETATM    6  C   UNL     1      10.425   0.978   1.372  1.00  0.00           C  
HETATM    7  C   UNL     1      11.712   1.665   0.907  1.00  0.00           C  
HETATM    8  C   UNL     1      11.387   3.074   0.408  1.00  0.00           C  
HETATM    9  C   UNL     1      12.337   0.851  -0.229  1.00  0.00           C  
HETATM   10  C   UNL     1      11.324   0.720  -1.370  1.00  0.00           C  
HETATM   11  C   UNL     1      10.049   0.060  -0.839  1.00  0.00           C  
HETATM   12  N   UNL     1       4.787  -0.036  -0.836  1.00  0.00           N  
HETATM   13  C   UNL     1       3.585  -0.638  -0.460  1.00  0.00           C  
HETATM   14  C   UNL     1       2.402  -0.089  -0.879  1.00  0.00           C  
HETATM   15  C   UNL     1       1.184  -0.690  -0.504  1.00  0.00           C  
HETATM   16  N   UNL     1       0.022  -0.177  -0.898  1.00  0.00           N  
HETATM   17  C   UNL     1       3.617  -1.792   0.335  1.00  0.00           C  
HETATM   18  C   UNL     1       2.477  -2.414   0.726  1.00  0.00           C  
HETATM   19  C   UNL     1       1.227  -1.895   0.332  1.00  0.00           C  
HETATM   20  C   UNL     1       0.033  -2.509   0.718  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.166  -1.939   0.283  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.411  -2.502   0.632  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.556  -1.923   0.193  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.135  -0.734  -0.551  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.357  -0.178  -0.976  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.535  -0.771  -0.604  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.743  -0.214  -1.030  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.814  -0.222  -0.212  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.754  -0.785   0.860  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.085   0.471  -0.629  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.137   0.313   0.471  1.00  0.00           C  
HETATM   32  N   UNL     1      -9.377   0.988   0.064  1.00  0.00           N  
HETATM   33  C   UNL     1     -10.323   1.070   1.184  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.537   1.903   0.767  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.533   1.969   1.927  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.207   1.249  -0.445  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.186   1.132  -1.580  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.982   0.321  -1.095  1.00  0.00           C  
HETATM   39  H   UNL     1       7.516  -0.069  -1.317  1.00  0.00           H  
HETATM   40  H   UNL     1       7.066   1.543  -0.711  1.00  0.00           H  
HETATM   41  H   UNL     1       7.847   0.909   1.555  1.00  0.00           H  
HETATM   42  H   UNL     1       8.297  -0.703   0.949  1.00  0.00           H  
HETATM   43  H   UNL     1       9.970   1.563   2.171  1.00  0.00           H  
HETATM   44  H   UNL     1      10.659  -0.021   1.740  1.00  0.00           H  
HETATM   45  H   UNL     1      12.413   1.725   1.740  1.00  0.00           H  
HETATM   46  H   UNL     1      10.939   3.652   1.216  1.00  0.00           H  
HETATM   47  H   UNL     1      12.304   3.562   0.077  1.00  0.00           H  
HETATM   48  H   UNL     1      10.688   3.012  -0.426  1.00  0.00           H  
HETATM   49  H   UNL     1      13.231   1.359  -0.592  1.00  0.00           H  
HETATM   50  H   UNL     1      12.606  -0.140   0.137  1.00  0.00           H  
HETATM   51  H   UNL     1      11.087   1.709  -1.761  1.00  0.00           H  
HETATM   52  H   UNL     1      11.749   0.106  -2.164  1.00  0.00           H  
HETATM   53  H   UNL     1      10.285  -0.934  -0.460  1.00  0.00           H  
HETATM   54  H   UNL     1       9.320  -0.022  -1.646  1.00  0.00           H  
HETATM   55  H   UNL     1       4.864   0.393  -1.703  1.00  0.00           H  
HETATM   56  H   UNL     1       2.402   0.799  -1.494  1.00  0.00           H  
HETATM   57  H   UNL     1       4.570  -2.195   0.641  1.00  0.00           H  
HETATM   58  H   UNL     1       2.526  -3.303   1.338  1.00  0.00           H  
HETATM   59  H   UNL     1       0.037  -3.397   1.332  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.452  -3.390   1.245  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.506  -2.360   0.464  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.366   0.710  -1.590  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.811   0.178  -1.914  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.886   1.530  -0.792  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.456   0.024  -1.552  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.336  -0.746   0.634  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.766   0.759   1.394  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.648   0.066   1.459  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.836   1.540   2.038  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.215   2.911   0.506  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.055   2.431   2.790  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.398   2.563   1.630  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.856   0.961   2.187  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.564   0.256  -0.172  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.047   1.862  -0.772  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.645   0.629  -2.431  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.858   2.128  -1.879  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.247   0.248  -1.897  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.309  -0.679  -0.810  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   12    3                                       
CONECT    3    2    4   39   40                                       
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   11                                            
CONECT    6    5    7   43   44                                       
CONECT    7    6    8    9   45                                       
CONECT    8    7   46   47   48                                       
CONECT    9    7   10   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11    5   10   53   54                                       
CONECT   12    2   13   55                                            
CONECT   13   12   17   17   14                                       
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   19   16                                       
CONECT   16   15   24   24                                            
CONECT   17   13   13   18   57                                       
CONECT   18   17   19   19   58                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   21   21   59                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   23   23   60                                       
CONECT   23   22   22   26   61                                       
CONECT   24   16   16   21   25                                       
CONECT   25   24   26   26   62                                       
CONECT   26   23   25   25   27                                       
CONECT   27   26   28   63                                            
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   64   65                                       
CONECT   31   30   32   66   67                                       
CONECT   32   31   33   38                                            
CONECT   33   32   34   68   69                                       
CONECT   34   33   35   36   70                                       
CONECT   35   34   71   72   73                                       
CONECT   36   34   37   74   75                                       
CONECT   37   36   38   76   77                                       
CONECT   38   32   37   78   79                                       
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
