COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.739   2.249   0.729  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.784  -0.136   0.640  1.00  0.00           N1+
HETATM    3  C   UNL     1      -7.356   3.431   0.456  1.00  0.00           C  
HETATM    4  N   UNL     1       6.810  -0.118  -0.697  1.00  0.00           N1+
HETATM    5  C   UNL     1      -8.605   3.465  -0.158  1.00  0.00           C  
HETATM    6  N   UNL     1      10.531  -0.220   1.137  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.244   2.312  -0.504  1.00  0.00           C  
HETATM    8  N   UNL     1     -10.507  -0.159  -1.194  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.368   1.039   0.388  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.637   1.077  -0.238  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.264  -0.144  -0.579  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.601  -1.325  -0.281  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.357  -1.284   0.334  1.00  0.00           C  
HETATM   14  C   UNL     1       8.654   1.056   0.247  1.00  0.00           C  
HETATM   15  C   UNL     1       7.387   1.045  -0.383  1.00  0.00           C  
HETATM   16  C   UNL     1       7.381  -1.278  -0.439  1.00  0.00           C  
HETATM   17  C   UNL     1       8.626  -1.345   0.173  1.00  0.00           C  
HETATM   18  C   UNL     1       9.289  -0.178   0.522  1.00  0.00           C  
HETATM   19  C   UNL     1       9.252   2.278   0.586  1.00  0.00           C  
HETATM   20  C   UNL     1       8.605   3.444   0.305  1.00  0.00           C  
HETATM   21  C   UNL     1       7.368   3.438  -0.335  1.00  0.00           C  
HETATM   22  C   UNL     1       6.756   2.268  -0.668  1.00  0.00           C  
HETATM   23  C   UNL     1       5.496  -0.104  -1.345  1.00  0.00           C  
HETATM   24  C   UNL     1       4.400  -0.125  -0.277  1.00  0.00           C  
HETATM   25  C   UNL     1       3.028  -0.111  -0.954  1.00  0.00           C  
HETATM   26  C   UNL     1       1.933  -0.131   0.114  1.00  0.00           C  
HETATM   27  C   UNL     1       0.561  -0.117  -0.563  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.535  -0.138   0.505  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.907  -0.123  -0.172  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.003  -0.144   0.896  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.375  -0.130   0.220  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.470  -0.150   1.287  1.00  0.00           C  
HETATM   33  C   UNL     1       6.879  -2.682  -0.714  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.851  -2.699   0.543  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.097  -3.599   0.410  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.010  -2.762  -0.519  1.00  0.00           C  
HETATM   37  C   UNL     1       7.733  -3.602   0.183  1.00  0.00           C  
HETATM   38  C   UNL     1       9.036  -2.791   0.348  1.00  0.00           C  
HETATM   39  H   UNL     1      -5.768   2.240   1.202  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.869   4.358   0.722  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.073   4.416  -0.363  1.00  0.00           H  
HETATM   42  H   UNL     1      10.977   0.605   1.385  1.00  0.00           H  
HETATM   43  H   UNL     1      10.953  -1.074   1.319  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.212   2.349  -0.981  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.959   0.675  -1.395  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.925  -1.004  -1.422  1.00  0.00           H  
HETATM   47  H   UNL     1      10.218   2.295   1.067  1.00  0.00           H  
HETATM   48  H   UNL     1       9.066   4.386   0.566  1.00  0.00           H  
HETATM   49  H   UNL     1       6.875   4.375  -0.548  1.00  0.00           H  
HETATM   50  H   UNL     1       5.790   2.280  -1.149  1.00  0.00           H  
HETATM   51  H   UNL     1       5.398   0.798  -1.949  1.00  0.00           H  
HETATM   52  H   UNL     1       5.397  -0.982  -1.985  1.00  0.00           H  
HETATM   53  H   UNL     1       4.498  -1.028   0.326  1.00  0.00           H  
HETATM   54  H   UNL     1       4.499   0.752   0.362  1.00  0.00           H  
HETATM   55  H   UNL     1       2.930   0.792  -1.558  1.00  0.00           H  
HETATM   56  H   UNL     1       2.929  -0.988  -1.593  1.00  0.00           H  
HETATM   57  H   UNL     1       2.031  -1.034   0.717  1.00  0.00           H  
HETATM   58  H   UNL     1       2.032   0.746   0.753  1.00  0.00           H  
HETATM   59  H   UNL     1       0.463   0.785  -1.166  1.00  0.00           H  
HETATM   60  H   UNL     1       0.461  -0.994  -1.202  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.437  -1.040   1.109  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.436   0.739   1.144  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.005   0.779  -0.775  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.006  -1.000  -0.811  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.905  -1.046   1.500  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.904   0.733   1.536  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.473   0.773  -0.384  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.474  -1.007  -0.420  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.371   0.727   1.927  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.372  -1.053   1.891  1.00  0.00           H  
HETATM   71  H   UNL     1       5.825  -2.766  -0.447  1.00  0.00           H  
HETATM   72  H   UNL     1       7.023  -2.936  -1.764  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.118  -2.954  -0.222  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.415  -2.802   1.536  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.841  -4.548  -0.062  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.561  -3.764   1.383  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.057  -2.907  -0.249  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.846  -3.035  -1.561  1.00  0.00           H  
HETATM   79  H   UNL     1       7.250  -3.759   1.148  1.00  0.00           H  
HETATM   80  H   UNL     1       7.926  -4.554  -0.311  1.00  0.00           H  
HETATM   81  H   UNL     1       9.757  -3.075  -0.419  1.00  0.00           H  
HETATM   82  H   UNL     1       9.456  -2.948   1.341  1.00  0.00           H  
CONECT    1    3    9    9   39                                       
CONECT    2    9   32   13   13                                       
CONECT    3    5    5    1   40                                       
CONECT    4   15   15   16   23                                       
CONECT    5    3    3    7   41                                       
CONECT    6   18   42   43                                            
CONECT    7    5   10   10   44                                       
CONECT    8   11   45   46                                            
CONECT    9    1    1   10    2                                       
CONECT   10    7    7    9   11                                       
CONECT   11   10    8   12   12                                       
CONECT   12   11   11   13   36                                       
CONECT   13    2    2   12   34                                       
CONECT   14   19   18   18   15                                       
CONECT   15   14   22    4    4                                       
CONECT   16   17   17    4   33                                       
CONECT   17   18   38   16   16                                       
CONECT   18    6   14   14   17                                       
CONECT   19   20   20   14   47                                       
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   22   49                                       
CONECT   22   21   21   15   50                                       
CONECT   23   24    4   51   52                                       
CONECT   24   25   23   53   54                                       
CONECT   25   26   24   55   56                                       
CONECT   26   27   25   57   58                                       
CONECT   27   28   26   59   60                                       
CONECT   28   27   29   61   62                                       
CONECT   29   28   30   63   64                                       
CONECT   30   31   29   65   66                                       
CONECT   31   30   32   67   68                                       
CONECT   32   31    2   69   70                                       
CONECT   33   16   37   71   72                                       
CONECT   34   13   35   73   74                                       
CONECT   35   34   36   75   76                                       
CONECT   36   12   35   77   78                                       
CONECT   37   38   33   79   80                                       
CONECT   38   17   37   81   82                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
