COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.587   2.320  -1.830  1.00  0.00           C  
HETATM    2  C   UNL     1       5.876   0.993  -1.176  1.00  0.00           C  
HETATM    3  N   UNL     1       7.104   0.512  -1.264  1.00  0.00           N  
HETATM    4  C   UNL     1       7.437  -0.659  -0.748  1.00  0.00           C  
HETATM    5  N   UNL     1       8.744  -1.116  -0.852  1.00  0.00           N  
HETATM    6  C   UNL     1       6.482  -1.438  -0.110  1.00  0.00           C  
HETATM    7  C   UNL     1       5.183  -0.954   0.016  1.00  0.00           C  
HETATM    8  O   UNL     1       4.239  -1.735   0.610  1.00  0.00           O  
HETATM    9  C   UNL     1       3.879  -2.913  -0.126  1.00  0.00           C  
HETATM   10  C   UNL     1       3.004  -3.825   0.732  1.00  0.00           C  
HETATM   11  C   UNL     1       1.639  -3.944   0.105  1.00  0.00           C  
HETATM   12  C   UNL     1       0.580  -4.081   0.863  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.786  -4.179   0.236  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.799  -3.427   1.102  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.654  -2.518   0.216  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.167  -1.179   0.290  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.058  -0.167   0.131  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.112  -0.299  -0.760  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.016   0.734  -0.920  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.162   0.587  -1.888  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.316   0.011  -1.193  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.556   0.542  -1.138  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.329  -0.292  -0.404  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.535  -1.370   0.002  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.330  -1.192  -0.475  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.870   1.902  -0.196  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.818   2.035   0.696  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.915   1.003   0.865  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.787   1.143   1.853  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.733   1.998   1.306  1.00  0.00           N  
HETATM   31  C   UNL     1       0.575   1.709   1.270  1.00  0.00           C  
HETATM   32  C   UNL     1       1.241   2.809   0.778  1.00  0.00           C  
HETATM   33  C   UNL     1       0.236   3.762   0.421  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.923   3.260   0.737  1.00  0.00           N  
HETATM   35  C   UNL     1       2.667   3.030   0.608  1.00  0.00           C  
HETATM   36  O   UNL     1       2.998   4.211   0.636  1.00  0.00           O  
HETATM   37  N   UNL     1       3.680   2.183   0.423  1.00  0.00           N  
HETATM   38  C   UNL     1       3.514   0.926  -0.342  1.00  0.00           C  
HETATM   39  C   UNL     1       4.889   0.312  -0.493  1.00  0.00           C  
HETATM   40  H   UNL     1       5.265   2.156  -2.858  1.00  0.00           H  
HETATM   41  H   UNL     1       4.797   2.832  -1.279  1.00  0.00           H  
HETATM   42  H   UNL     1       6.489   2.932  -1.825  1.00  0.00           H  
HETATM   43  H   UNL     1       9.412  -0.577  -1.303  1.00  0.00           H  
HETATM   44  H   UNL     1       8.989  -1.975  -0.473  1.00  0.00           H  
HETATM   45  H   UNL     1       6.747  -2.405   0.293  1.00  0.00           H  
HETATM   46  H   UNL     1       3.333  -2.621  -1.023  1.00  0.00           H  
HETATM   47  H   UNL     1       4.785  -3.447  -0.415  1.00  0.00           H  
HETATM   48  H   UNL     1       3.463  -4.812   0.792  1.00  0.00           H  
HETATM   49  H   UNL     1       2.914  -3.405   1.732  1.00  0.00           H  
HETATM   50  H   UNL     1       1.540  -3.919  -0.973  1.00  0.00           H  
HETATM   51  H   UNL     1       0.679  -4.118   1.939  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.763  -3.739  -0.761  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.080  -5.226   0.164  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.440  -4.143   1.615  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.268  -2.822   1.838  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.602  -2.866  -0.816  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.688  -2.549   0.556  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.227  -1.208  -1.331  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.430   1.566  -2.286  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.865  -0.070  -2.706  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.873   1.467  -1.596  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.375  -0.151  -0.174  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.862  -2.207   0.600  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.574   2.711  -0.324  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.703   2.949   1.259  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.169   1.590   2.773  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.375   0.160   2.080  1.00  0.00           H  
HETATM   68  H   UNL     1       1.025   0.774   1.576  1.00  0.00           H  
HETATM   69  H   UNL     1       0.411   4.728  -0.028  1.00  0.00           H  
HETATM   70  H   UNL     1       4.553   2.392   0.816  1.00  0.00           H  
HETATM   71  H   UNL     1       2.864   0.240   0.207  1.00  0.00           H  
HETATM   72  H   UNL     1       3.079   1.129  -1.321  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1   39   39    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    6    5                                       
CONECT    5    4   43   44                                            
CONECT    6    7    7    4   45                                       
CONECT    7   39    8    6    6                                       
CONECT    8    7    9                                                 
CONECT    9   10    8   46   47                                       
CONECT   10   11    9   48   49                                       
CONECT   11   12   12   10   50                                       
CONECT   12   13   11   11   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   15   13   54   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   17   15                                                 
CONECT   17   18   18   28   16                                       
CONECT   18   19   17   17   58                                       
CONECT   19   20   26   26   18                                       
CONECT   20   21   19   59   60                                       
CONECT   21   25   22   20                                            
CONECT   22   23   23   21   61                                       
CONECT   23   24   22   22   62                                       
CONECT   24   25   25   23   63                                       
CONECT   25   24   24   21                                            
CONECT   26   19   19   27   64                                       
CONECT   27   26   28   28   65                                       
CONECT   28   27   27   17   29                                       
CONECT   29   28   30   66   67                                       
CONECT   30   29   34   31                                            
CONECT   31   30   32   32   68                                       
CONECT   32   31   31   33   35                                       
CONECT   33   34   34   32   69                                       
CONECT   34   30   33   33                                            
CONECT   35   32   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   70                                            
CONECT   38   37   39   71   72                                       
CONECT   39   38    2    2    7                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
