COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.448   3.048   0.161  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.790   3.498   0.540  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.777   2.371   0.377  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.767   1.623  -0.744  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.564   0.481  -0.828  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.581   2.138   1.255  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.197  -0.560  -1.675  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.980  -1.688  -1.761  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.147  -1.788  -0.994  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.512  -0.738  -0.143  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.720   0.385  -0.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.987  -2.990  -1.082  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.113  -3.084  -0.342  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.923  -4.245  -0.427  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.604  -5.156  -1.167  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.210   4.696  -0.330  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.788   3.992   2.001  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.448   5.878   0.633  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.602   5.525   1.884  1.00  0.00           C  
HETATM   20  O   UNL     1     -10.047  -4.339   0.313  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.842   2.071   0.863  1.00  0.00           C  
HETATM   22  C   UNL     1       0.461   1.542   0.417  1.00  0.00           C  
HETATM   23  C   UNL     1       1.052   2.072  -0.735  1.00  0.00           C  
HETATM   24  C   UNL     1       2.258   1.626  -1.202  1.00  0.00           C  
HETATM   25  C   UNL     1       1.074   0.527   1.162  1.00  0.00           C  
HETATM   26  N   UNL     1       3.152  -0.891   1.181  1.00  0.00           N  
HETATM   27  C   UNL     1       2.299   0.063   0.701  1.00  0.00           C  
HETATM   28  C   UNL     1       2.886   0.602  -0.475  1.00  0.00           C  
HETATM   29  C   UNL     1       4.098  -0.077  -0.674  1.00  0.00           C  
HETATM   30  C   UNL     1       4.230  -0.989   0.330  1.00  0.00           C  
HETATM   31  C   UNL     1       5.076   0.159  -1.796  1.00  0.00           C  
HETATM   32  C   UNL     1       5.348  -1.944   0.481  1.00  0.00           C  
HETATM   33  C   UNL     1       4.385  -0.098  -3.137  1.00  0.00           C  
HETATM   34  C   UNL     1       5.378   0.142  -4.276  1.00  0.00           C  
HETATM   35  C   UNL     1       5.872   1.589  -4.226  1.00  0.00           C  
HETATM   36  C   UNL     1       6.563   1.845  -2.885  1.00  0.00           C  
HETATM   37  C   UNL     1       5.570   1.606  -1.746  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.368   1.626   1.865  1.00  0.00           O  
HETATM   39  C   UNL     1       5.909  -2.493  -0.679  1.00  0.00           C  
HETATM   40  C   UNL     1       6.928  -3.414  -0.589  1.00  0.00           C  
HETATM   41  C   UNL     1       7.399  -3.805   0.654  1.00  0.00           C  
HETATM   42  C   UNL     1       6.865  -3.262   1.802  1.00  0.00           C  
HETATM   43  C   UNL     1       5.846  -2.310   1.732  1.00  0.00           C  
HETATM   44  C   UNL     1       2.990  -1.684   2.408  1.00  0.00           C  
HETATM   45  N   UNL     1       5.424  -1.734   2.917  1.00  0.00           N  
HETATM   46  C   UNL     1       4.185  -1.425   3.288  1.00  0.00           C  
HETATM   47  O   UNL     1       4.010  -0.917   4.375  1.00  0.00           O  
HETATM   48  H   UNL     1      -0.998   3.451  -0.598  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.206   1.879  -1.493  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.296  -0.482  -2.266  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.694  -2.496  -2.419  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.412  -0.810   0.450  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.001   1.195   0.597  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.704  -3.799  -1.740  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.396  -2.275   0.316  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.415   4.943  -1.034  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.127   4.463  -0.870  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.738   3.759   2.484  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.961   3.546   2.554  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.101   6.810   0.187  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.504   5.951   0.893  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.990   6.031   2.768  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.553   5.776   1.723  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.533  -5.165   0.187  1.00  0.00           H  
HETATM   65  H   UNL     1       0.541   2.857  -1.272  1.00  0.00           H  
HETATM   66  H   UNL     1       2.707   2.043  -2.092  1.00  0.00           H  
HETATM   67  H   UNL     1       0.616   0.124   2.053  1.00  0.00           H  
HETATM   68  H   UNL     1       5.923  -0.519  -1.688  1.00  0.00           H  
HETATM   69  H   UNL     1       4.033  -1.129  -3.173  1.00  0.00           H  
HETATM   70  H   UNL     1       3.538   0.580  -3.245  1.00  0.00           H  
HETATM   71  H   UNL     1       6.225  -0.536  -4.168  1.00  0.00           H  
HETATM   72  H   UNL     1       4.886  -0.041  -5.231  1.00  0.00           H  
HETATM   73  H   UNL     1       6.580   1.759  -5.037  1.00  0.00           H  
HETATM   74  H   UNL     1       5.025   2.266  -4.334  1.00  0.00           H  
HETATM   75  H   UNL     1       7.410   1.168  -2.777  1.00  0.00           H  
HETATM   76  H   UNL     1       6.916   2.876  -2.849  1.00  0.00           H  
HETATM   77  H   UNL     1       4.723   2.283  -1.854  1.00  0.00           H  
HETATM   78  H   UNL     1       6.062   1.789  -0.790  1.00  0.00           H  
HETATM   79  H   UNL     1       5.540  -2.192  -1.648  1.00  0.00           H  
HETATM   80  H   UNL     1       7.360  -3.833  -1.486  1.00  0.00           H  
HETATM   81  H   UNL     1       8.188  -4.539   0.723  1.00  0.00           H  
HETATM   82  H   UNL     1       7.238  -3.576   2.766  1.00  0.00           H  
HETATM   83  H   UNL     1       2.079  -1.382   2.924  1.00  0.00           H  
HETATM   84  H   UNL     1       2.939  -2.743   2.158  1.00  0.00           H  
HETATM   85  H   UNL     1       6.121  -1.530   3.559  1.00  0.00           H  
CONECT    1    2   21   48                                            
CONECT    2    1   17    3   16                                       
CONECT    3    2    6    6    4                                       
CONECT    4    3    5   49                                            
CONECT    5    4    7    7   11                                       
CONECT    6    3    3                                                 
CONECT    7    5    5    8   50                                       
CONECT    8    7    9    9   51                                       
CONECT    9    8    8   12   10                                       
CONECT   10    9   11   11   52                                       
CONECT   11    5   10   10   53                                       
CONECT   12    9   13   13   54                                       
CONECT   13   12   12   14   55                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14                                                 
CONECT   16    2   18   56   57                                       
CONECT   17    2   19   58   59                                       
CONECT   18   16   19   60   61                                       
CONECT   19   17   18   62   63                                       
CONECT   20   14   64                                                 
CONECT   21    1   38   38   22                                       
CONECT   22   21   25   25   23                                       
CONECT   23   22   24   24   65                                       
CONECT   24   23   23   28   66                                       
CONECT   25   22   22   27   67                                       
CONECT   26   44   27   30                                            
CONECT   27   25   26   28   28                                       
CONECT   28   24   27   27   29                                       
CONECT   29   28   30   30   31                                       
CONECT   30   26   29   29   32                                       
CONECT   31   29   37   33   68                                       
CONECT   32   30   43   43   39                                       
CONECT   33   31   34   69   70                                       
CONECT   34   33   35   71   72                                       
CONECT   35   34   36   73   74                                       
CONECT   36   35   37   75   76                                       
CONECT   37   31   36   77   78                                       
CONECT   38   21   21                                                 
CONECT   39   32   40   40   79                                       
CONECT   40   39   39   41   80                                       
CONECT   41   40   42   42   81                                       
CONECT   42   41   41   43   82                                       
CONECT   43   32   32   42   45                                       
CONECT   44   26   46   83   84                                       
CONECT   45   43   46   85                                            
CONECT   46   44   45   47   47                                       
CONECT   47   46   46                                                 
CONECT   48    1                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
