COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.241   3.034   0.105  1.00  0.00           C  
HETATM    2  N   UNL     1       8.543   1.877  -0.475  1.00  0.00           N  
HETATM    3  C   UNL     1       9.419   0.697  -0.498  1.00  0.00           C  
HETATM    4  C   UNL     1      10.675   1.017  -1.315  1.00  0.00           C  
HETATM    5  O   UNL     1      11.323   2.162  -0.755  1.00  0.00           O  
HETATM    6  C   UNL     1      10.498   3.329  -0.717  1.00  0.00           C  
HETATM    7  C   UNL     1       7.365   1.610   0.213  1.00  0.00           C  
HETATM    8  N   UNL     1       7.021   2.368   1.242  1.00  0.00           N  
HETATM    9  C   UNL     1       5.914   2.155   1.926  1.00  0.00           C  
HETATM   10  C   UNL     1       5.061   1.123   1.595  1.00  0.00           C  
HETATM   11  C   UNL     1       5.381   0.293   0.513  1.00  0.00           C  
HETATM   12  C   UNL     1       6.557   0.552  -0.191  1.00  0.00           C  
HETATM   13  C   UNL     1       4.492  -0.826   0.124  1.00  0.00           C  
HETATM   14  O   UNL     1       4.786  -1.536  -0.817  1.00  0.00           O  
HETATM   15  N   UNL     1       3.357  -1.056   0.814  1.00  0.00           N  
HETATM   16  C   UNL     1       2.466  -2.044   0.384  1.00  0.00           C  
HETATM   17  C   UNL     1       2.948  -3.219  -0.179  1.00  0.00           C  
HETATM   18  C   UNL     1       2.068  -4.195  -0.604  1.00  0.00           C  
HETATM   19  C   UNL     1       0.706  -4.007  -0.471  1.00  0.00           C  
HETATM   20  C   UNL     1       0.217  -2.834   0.092  1.00  0.00           C  
HETATM   21  C   UNL     1       1.098  -1.854   0.524  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.251  -5.074  -0.937  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.162  -2.644   0.226  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.682  -1.403   0.148  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.946  -0.440   0.052  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.145  -1.213   0.181  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.697   0.075   0.101  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.059   0.205   0.134  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.852  -0.936   0.245  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.305  -2.142   0.319  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.000  -2.311   0.285  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.230  -0.809   0.279  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.845   0.519   0.198  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.368   0.379   0.257  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.005   1.769   0.322  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.538   1.651   0.512  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.030   3.004  -0.065  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.056   3.258  -1.235  1.00  0.00           C  
HETATM   39  N   UNL     1      -9.837   2.473  -0.967  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.649   3.337  -0.944  1.00  0.00           C  
HETATM   41  H   UNL     1       8.583   3.902   0.089  1.00  0.00           H  
HETATM   42  H   UNL     1       9.523   2.810   1.134  1.00  0.00           H  
HETATM   43  H   UNL     1       9.705   0.436   0.521  1.00  0.00           H  
HETATM   44  H   UNL     1       8.891  -0.140  -0.955  1.00  0.00           H  
HETATM   45  H   UNL     1      11.353   0.164  -1.287  1.00  0.00           H  
HETATM   46  H   UNL     1      10.394   1.226  -2.347  1.00  0.00           H  
HETATM   47  H   UNL     1      10.212   3.606  -1.732  1.00  0.00           H  
HETATM   48  H   UNL     1      11.049   4.150  -0.257  1.00  0.00           H  
HETATM   49  H   UNL     1       5.672   2.798   2.760  1.00  0.00           H  
HETATM   50  H   UNL     1       4.157   0.957   2.163  1.00  0.00           H  
HETATM   51  H   UNL     1       6.838  -0.062  -1.034  1.00  0.00           H  
HETATM   52  H   UNL     1       3.159  -0.537   1.610  1.00  0.00           H  
HETATM   53  H   UNL     1       4.012  -3.369  -0.285  1.00  0.00           H  
HETATM   54  H   UNL     1       2.445  -5.107  -1.042  1.00  0.00           H  
HETATM   55  H   UNL     1       0.721  -0.943   0.965  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.450  -5.766  -0.118  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.184  -4.611  -1.257  1.00  0.00           H  
HETATM   58  H   UNL     1       0.190  -5.618  -1.772  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.745  -3.405   0.375  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.061   0.944   0.015  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.515   1.182   0.075  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.587  -3.308   0.343  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.789  -1.598   0.356  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.504   1.129   1.034  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.560   0.995  -0.740  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.720  -0.140  -0.635  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.647  -0.190   1.143  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.566   2.349   1.134  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.939   0.814  -0.059  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.795   1.560   1.568  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.054   2.919  -0.427  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.949   3.794   0.682  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.509   2.932  -2.171  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.810   4.319  -1.289  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.753   2.721  -0.874  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.613   3.929  -1.859  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.701   4.003  -0.082  1.00  0.00           H  
CONECT    1    2    6   41   42                                       
CONECT    2    1    3    7                                            
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4    6                                                 
CONECT    6    1    5   47   48                                       
CONECT    7    2    8    8   12                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   49                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   12   12   13                                       
CONECT   12    7   11   11   51                                       
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   52                                            
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   53                                       
CONECT   18   17   19   19   54                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   23                                       
CONECT   21   16   20   20   55                                       
CONECT   22   19   56   57   58                                       
CONECT   23   20   24   59                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   31                                       
CONECT   27   26   26   28   60                                       
CONECT   28   27   29   29   61                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   31                                            
CONECT   31   26   30   30   62                                       
CONECT   32   29   33   63                                            
CONECT   33   32   34   64   65                                       
CONECT   34   33   35   66   67                                       
CONECT   35   34   36   39   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   36   38   71   72                                       
CONECT   38   37   39   73   74                                       
CONECT   39   35   38   40                                            
CONECT   40   39   75   76   77                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
