COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.003  -0.968   8.859  1.00  0.00           C  
HETATM    2  C   UNL     1       2.240  -1.851   7.653  1.00  0.00           C  
HETATM    3  O   UNL     1       2.447  -3.197   8.094  1.00  0.00           O  
HETATM    4  C   UNL     1       2.675  -4.112   7.104  1.00  0.00           C  
HETATM    5  O   UNL     1       2.714  -3.874   5.905  1.00  0.00           O  
HETATM    6  C   UNL     1       2.863  -5.476   7.734  1.00  0.00           C  
HETATM    7  C   UNL     1       3.080  -6.571   6.688  1.00  0.00           C  
HETATM    8  O   UNL     1       1.946  -6.657   5.837  1.00  0.00           O  
HETATM    9  C   UNL     1       4.310  -6.290   5.834  1.00  0.00           C  
HETATM   10  O   UNL     1       4.243  -6.102   4.621  1.00  0.00           O  
HETATM   11  N   UNL     1       5.480  -6.254   6.580  1.00  0.00           N  
HETATM   12  C   UNL     1       6.769  -5.986   5.992  1.00  0.00           C  
HETATM   13  C   UNL     1       7.113  -4.493   6.024  1.00  0.00           C  
HETATM   14  C   UNL     1       7.173  -3.954   7.425  1.00  0.00           C  
HETATM   15  C   UNL     1       6.378  -2.983   7.888  1.00  0.00           C  
HETATM   16  C   UNL     1       7.804  -6.788   6.772  1.00  0.00           C  
HETATM   17  O   UNL     1       7.528  -7.446   7.773  1.00  0.00           O  
HETATM   18  N   UNL     1       9.048  -6.711   6.184  1.00  0.00           N  
HETATM   19  C   UNL     1      10.202  -7.436   6.718  1.00  0.00           C  
HETATM   20  C   UNL     1      11.172  -7.790   5.581  1.00  0.00           C  
HETATM   21  C   UNL     1      10.549  -8.774   4.580  1.00  0.00           C  
HETATM   22  C   UNL     1      11.525  -9.191   3.482  1.00  0.00           C  
HETATM   23  N   UNL     1      11.934  -8.049   2.701  1.00  0.00           N  
HETATM   24  C   UNL     1      11.297  -7.529   1.593  1.00  0.00           C  
HETATM   25  N   UNL     1      10.197  -8.063   1.131  1.00  0.00           N  
HETATM   26  N   UNL     1      11.869  -6.431   1.003  1.00  0.00           N  
HETATM   27  C   UNL     1      10.830  -6.507   7.753  1.00  0.00           C  
HETATM   28  O   UNL     1      10.812  -5.283   7.641  1.00  0.00           O  
HETATM   29  N   UNL     1      11.434  -7.201   8.791  1.00  0.00           N  
HETATM   30  C   UNL     1      12.123  -6.545   9.878  1.00  0.00           C  
HETATM   31  C   UNL     1      13.583  -6.967   9.802  1.00  0.00           C  
HETATM   32  O   UNL     1      13.954  -8.083   9.445  1.00  0.00           O  
HETATM   33  N   UNL     1      14.451  -5.947  10.130  1.00  0.00           N  
HETATM   34  C   UNL     1      11.531  -6.910  11.244  1.00  0.00           C  
HETATM   35  C   UNL     1      10.073  -6.540  11.366  1.00  0.00           C  
HETATM   36  C   UNL     1       9.581  -5.312  11.836  1.00  0.00           C  
HETATM   37  C   UNL     1      10.160  -4.117  12.308  1.00  0.00           C  
HETATM   38  C   UNL     1       9.326  -3.065  12.704  1.00  0.00           C  
HETATM   39  C   UNL     1       7.940  -3.189  12.637  1.00  0.00           C  
HETATM   40  C   UNL     1       7.343  -4.364  12.172  1.00  0.00           C  
HETATM   41  C   UNL     1       8.189  -5.408  11.779  1.00  0.00           C  
HETATM   42  N   UNL     1       7.889  -6.659  11.289  1.00  0.00           N  
HETATM   43  C   UNL     1       9.040  -7.355  11.035  1.00  0.00           C  
HETATM   44  H   UNL     1       1.841   0.070   8.557  1.00  0.00           H  
HETATM   45  H   UNL     1       1.130  -1.312   9.424  1.00  0.00           H  
HETATM   46  H   UNL     1       2.859  -1.008   9.541  1.00  0.00           H  
HETATM   47  H   UNL     1       3.126  -1.520   7.103  1.00  0.00           H  
HETATM   48  H   UNL     1       1.374  -1.829   6.985  1.00  0.00           H  
HETATM   49  H   UNL     1       3.729  -5.407   8.402  1.00  0.00           H  
HETATM   50  H   UNL     1       1.971  -5.694   8.333  1.00  0.00           H  
HETATM   51  H   UNL     1       3.210  -7.552   7.159  1.00  0.00           H  
HETATM   52  H   UNL     1       1.255  -6.103   6.233  1.00  0.00           H  
HETATM   53  H   UNL     1       5.432  -6.384   7.587  1.00  0.00           H  
HETATM   54  H   UNL     1       6.729  -6.360   4.962  1.00  0.00           H  
HETATM   55  H   UNL     1       8.091  -4.324   5.558  1.00  0.00           H  
HETATM   56  H   UNL     1       6.386  -3.930   5.423  1.00  0.00           H  
HETATM   57  H   UNL     1       7.919  -4.379   8.091  1.00  0.00           H  
HETATM   58  H   UNL     1       6.456  -2.623   8.908  1.00  0.00           H  
HETATM   59  H   UNL     1       5.631  -2.531   7.244  1.00  0.00           H  
HETATM   60  H   UNL     1       9.165  -6.140   5.363  1.00  0.00           H  
HETATM   61  H   UNL     1       9.852  -8.354   7.203  1.00  0.00           H  
HETATM   62  H   UNL     1      11.493  -6.881   5.056  1.00  0.00           H  
HETATM   63  H   UNL     1      12.076  -8.247   6.004  1.00  0.00           H  
HETATM   64  H   UNL     1      10.228  -9.674   5.119  1.00  0.00           H  
HETATM   65  H   UNL     1       9.653  -8.334   4.127  1.00  0.00           H  
HETATM   66  H   UNL     1      12.406  -9.680   3.911  1.00  0.00           H  
HETATM   67  H   UNL     1      11.038  -9.914   2.819  1.00  0.00           H  
HETATM   68  H   UNL     1      12.786  -7.586   3.009  1.00  0.00           H  
HETATM   69  H   UNL     1       9.893  -7.527   0.311  1.00  0.00           H  
HETATM   70  H   UNL     1      12.723  -6.010   1.353  1.00  0.00           H  
HETATM   71  H   UNL     1      11.452  -6.000   0.185  1.00  0.00           H  
HETATM   72  H   UNL     1      11.390  -8.216   8.786  1.00  0.00           H  
HETATM   73  H   UNL     1      12.052  -5.467   9.689  1.00  0.00           H  
HETATM   74  H   UNL     1      15.450  -6.124  10.092  1.00  0.00           H  
HETATM   75  H   UNL     1      14.128  -5.026  10.408  1.00  0.00           H  
HETATM   76  H   UNL     1      12.104  -6.427  12.048  1.00  0.00           H  
HETATM   77  H   UNL     1      11.629  -7.988  11.428  1.00  0.00           H  
HETATM   78  H   UNL     1      11.238  -4.005  12.366  1.00  0.00           H  
HETATM   79  H   UNL     1       9.767  -2.141  13.070  1.00  0.00           H  
HETATM   80  H   UNL     1       7.311  -2.359  12.950  1.00  0.00           H  
HETATM   81  H   UNL     1       6.264  -4.460  12.120  1.00  0.00           H  
HETATM   82  H   UNL     1       6.954  -7.011  11.139  1.00  0.00           H  
HETATM   83  H   UNL     1       8.997  -8.362  10.644  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   49   50                                       
CONECT    7    6    8    9   51                                       
CONECT    8    7   52                                                 
CONECT    9    7   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   53                                            
CONECT   12   11   16   13   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   15   57                                       
CONECT   15   14   14   58   59                                       
CONECT   16   12   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   60                                            
CONECT   19   18   27   20   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   66   67                                       
CONECT   23   22   24   68                                            
CONECT   24   23   26   25   25                                       
CONECT   25   24   24   69                                            
CONECT   26   24   70   71                                            
CONECT   27   19   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   72                                            
CONECT   30   29   34   31   73                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   74   75                                            
CONECT   34   30   35   76   77                                       
CONECT   35   34   36   43   43                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   78                                       
CONECT   38   37   39   39   79                                       
CONECT   39   38   38   40   80                                       
CONECT   40   39   41   41   81                                       
CONECT   41   36   40   40   42                                       
CONECT   42   41   43   82                                            
CONECT   43   35   35   42   83                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
