COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.163   6.243  -1.307  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.296   0.661   2.761  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.085   0.163   3.206  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.580   0.687   1.409  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.158  -0.308   2.298  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.208  -1.439  -0.545  1.00  0.00           C  
HETATM    7  C   UNL     1       5.815  -0.324  -0.637  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.274  -1.716  -2.793  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.001   0.254  -0.974  1.00  0.00           C  
HETATM   10  C   UNL     1       5.595   2.168  -0.694  1.00  0.00           C  
HETATM   11  C   UNL     1       5.900   0.883   0.032  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.525  -2.457  -1.454  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.003  -1.286  -1.482  1.00  0.00           C  
HETATM   14  C   UNL     1       6.463  -1.477   1.362  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.328  -2.309  -2.393  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.290   4.053   3.264  1.00  0.00           C  
HETATM   17  C   UNL     1       4.788  -3.965   1.548  1.00  0.00           C  
HETATM   18  C   UNL     1       6.975  -5.040   2.109  1.00  0.00           C  
HETATM   19  C   UNL     1       6.264   0.913   1.365  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.603  -2.885  -2.363  1.00  0.00           C  
HETATM   21  C   UNL     1       6.545  -0.264   2.032  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.942  -0.855  -0.563  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.733   0.189  -1.824  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.886  -1.004  -1.360  1.00  0.00           C  
HETATM   25  C   UNL     1       5.993  -2.816  -0.711  1.00  0.00           C  
HETATM   26  C   UNL     1       0.498   3.364   2.149  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.657   0.216   0.491  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.442  -0.281   0.937  1.00  0.00           C  
HETATM   29  C   UNL     1       6.095  -1.504   0.026  1.00  0.00           C  
HETATM   30  C   UNL     1       2.017   1.216  -0.861  1.00  0.00           C  
HETATM   31  C   UNL     1       0.052   0.045  -1.109  1.00  0.00           C  
HETATM   32  C   UNL     1       0.225   1.671   0.509  1.00  0.00           C  
HETATM   33  C   UNL     1       4.105   2.489  -0.558  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.217  -0.982   0.429  1.00  0.00           C  
HETATM   35  C   UNL     1       3.823   3.834  -1.178  1.00  0.00           C  
HETATM   36  C   UNL     1       6.308  -3.849   1.418  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.230  -2.519  -3.160  1.00  0.00           N  
HETATM   38  N   UNL     1       1.304   0.283  -1.484  1.00  0.00           N  
HETATM   39  N   UNL     1       1.476   1.910   0.136  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.487   0.739  -0.113  1.00  0.00           N  
HETATM   41  N   UNL     1       4.438   4.936  -0.705  1.00  0.00           N  
HETATM   42  N   UNL     1       3.320   1.461  -1.245  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.694  -0.930  -1.760  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.485  -0.756   0.031  1.00  0.00           N  
HETATM   45  O   UNL     1      -4.905  -0.809   1.592  1.00  0.00           O  
HETATM   46  O   UNL     1       3.042   3.924  -2.102  1.00  0.00           O  
HETATM   47  O   UNL     1       6.672  -3.831   0.033  1.00  0.00           O  
HETATM   48  O   UNL     1       6.749  -2.630   2.023  1.00  0.00           O  
HETATM   49  O   UNL     1      -0.325   2.377   1.524  1.00  0.00           O  
HETATM   50  H   UNL     1       4.436   6.222  -2.362  1.00  0.00           H  
HETATM   51  H   UNL     1       3.102   6.472  -1.210  1.00  0.00           H  
HETATM   52  H   UNL     1       4.747   7.009  -0.796  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.022   1.027   3.472  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.865   0.143   4.263  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.528   1.076   1.067  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.212  -0.697   2.644  1.00  0.00           H  
HETATM   57  H   UNL     1       5.526  -0.345  -1.677  1.00  0.00           H  
HETATM   58  H   UNL     1       0.708  -1.677  -3.240  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.535   1.178  -1.194  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.640  -0.596  -1.216  1.00  0.00           H  
HETATM   61  H   UNL     1       6.182   2.978  -0.261  1.00  0.00           H  
HETATM   62  H   UNL     1       5.849   2.059  -1.748  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.507  -2.906  -1.436  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.595   3.313   4.004  1.00  0.00           H  
HETATM   65  H   UNL     1       0.338   4.806   3.741  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.174   4.531   2.843  1.00  0.00           H  
HETATM   67  H   UNL     1       4.513  -3.972   2.603  1.00  0.00           H  
HETATM   68  H   UNL     1       4.315  -3.115   1.055  1.00  0.00           H  
HETATM   69  H   UNL     1       4.453  -4.890   1.079  1.00  0.00           H  
HETATM   70  H   UNL     1       6.641  -5.966   1.640  1.00  0.00           H  
HETATM   71  H   UNL     1       8.057  -4.955   2.016  1.00  0.00           H  
HETATM   72  H   UNL     1       6.701  -5.048   3.164  1.00  0.00           H  
HETATM   73  H   UNL     1       6.328   1.857   1.887  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.857  -3.670  -3.060  1.00  0.00           H  
HETATM   75  H   UNL     1       6.828  -0.240   3.073  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.696  -0.070   0.137  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.002   0.060  -2.872  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.163   1.110  -1.702  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.475  -1.919  -1.417  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.000  -1.094  -1.989  1.00  0.00           H  
HETATM   81  H   UNL     1       4.943  -3.089  -0.825  1.00  0.00           H  
HETATM   82  H   UNL     1       6.452  -2.717  -1.695  1.00  0.00           H  
HETATM   83  H   UNL     1       0.803   4.104   1.409  1.00  0.00           H  
HETATM   84  H   UNL     1       1.382   2.886   2.570  1.00  0.00           H  
HETATM   85  H   UNL     1       3.832   2.511   0.497  1.00  0.00           H  
HETATM   86  H   UNL     1       5.062   4.864   0.034  1.00  0.00           H  
HETATM   87  H   UNL     1       3.715   0.952  -1.970  1.00  0.00           H  
CONECT    1   41   50   51   52                                       
CONECT    2    3    3    4   53                                       
CONECT    3    2    2    5   54                                       
CONECT    4    2   27   27   55                                       
CONECT    5    3   28   28   56                                       
CONECT    6   12   12   22   34                                       
CONECT    7   11   11   29   57                                       
CONECT    8   37   37   43   58                                       
CONECT    9   23   27   59   60                                       
CONECT   10   11   33   61   62                                       
CONECT   11    7    7   10   19                                       
CONECT   12    6    6   20   63                                       
CONECT   13   15   22   22   43                                       
CONECT   14   21   29   29   48                                       
CONECT   15   13   20   20   37                                       
CONECT   16   26   64   65   66                                       
CONECT   17   36   67   68   69                                       
CONECT   18   36   70   71   72                                       
CONECT   19   11   21   21   73                                       
CONECT   20   12   15   15   74                                       
CONECT   21   14   19   19   75                                       
CONECT   22    6   13   13   76                                       
CONECT   23    9   24   77   78                                       
CONECT   24   23   44   79   80                                       
CONECT   25   29   47   81   82                                       
CONECT   26   16   49   83   84                                       
CONECT   27    4    4    9   28                                       
CONECT   28    5    5   27   44                                       
CONECT   29    7   14   14   25                                       
CONECT   30   38   38   39   42                                       
CONECT   31   38   40   40   43                                       
CONECT   32   39   39   40   49                                       
CONECT   33   10   35   42   85                                       
CONECT   34    6   44   45   45                                       
CONECT   35   33   41   46   46                                       
CONECT   36   17   18   47   48                                       
CONECT   37    8    8   15                                            
CONECT   38   30   30   31                                            
CONECT   39   30   32   32                                            
CONECT   40   31   31   32                                            
CONECT   41    1   35   86                                            
CONECT   42   30   33   87                                            
CONECT   43    8   13   31                                            
CONECT   44   24   28   34                                            
CONECT   45   34   34                                                 
CONECT   46   35   35                                                 
CONECT   47   25   36                                                 
CONECT   48   14   36                                                 
CONECT   49   26   32                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   33                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
