COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.141   6.841  -1.262  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.494   5.027   0.479  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.690   3.304   1.788  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.626   6.647  -1.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.344   6.442  -0.019  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.557   4.262   0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.723   2.473   1.410  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.686   2.951   0.514  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.319  -2.007  -0.737  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.312  -1.076  -0.844  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.050   0.261  -0.554  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.035  -1.636  -0.338  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.758  -2.299  -0.545  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.697  -3.369  -0.529  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.759   0.644  -0.150  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.749  -0.316  -0.049  1.00  0.00           C  
HETATM   17  N   UNL     1      -8.818   1.399  -0.568  1.00  0.00           N  
HETATM   18  N   UNL     1      -8.034   2.490  -0.181  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.811   2.093   0.076  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.605   4.536   1.321  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.031  -2.607  -0.228  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.466  -1.160  -0.842  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.332  -2.775  -0.924  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.415  -2.999   0.214  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.281  -3.103   1.417  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.502  -3.910   0.906  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.077  -4.505  -1.480  1.00  0.00           C  
HETATM   28  C   UNL     1       0.539  -1.890   0.348  1.00  0.00           C  
HETATM   29  C   UNL     1       1.603  -2.261   1.349  1.00  0.00           C  
HETATM   30  O   UNL     1       1.569  -3.342   1.897  1.00  0.00           O  
HETATM   31  N   UNL     1       2.592  -1.391   1.635  1.00  0.00           N  
HETATM   32  C   UNL     1       3.650  -1.725   2.604  1.00  0.00           C  
HETATM   33  C   UNL     1       4.988  -1.726   1.860  1.00  0.00           C  
HETATM   34  C   UNL     1       5.098  -0.515   0.982  1.00  0.00           C  
HETATM   35  C   UNL     1       4.079   0.212   0.590  1.00  0.00           C  
HETATM   36  C   UNL     1       2.661  -0.073   0.988  1.00  0.00           C  
HETATM   37  C   UNL     1       6.445  -0.114   0.527  1.00  0.00           C  
HETATM   38  C   UNL     1       7.173  -0.948  -0.324  1.00  0.00           C  
HETATM   39  C   UNL     1       8.428  -0.574  -0.748  1.00  0.00           C  
HETATM   40  C   UNL     1       8.974   0.639  -0.326  1.00  0.00           C  
HETATM   41  C   UNL     1       8.248   1.473   0.525  1.00  0.00           C  
HETATM   42  C   UNL     1       6.990   1.103   0.944  1.00  0.00           C  
HETATM   43  C   UNL     1      10.325   1.041  -0.782  1.00  0.00           C  
HETATM   44  N   UNL     1      11.000   0.239  -1.595  1.00  0.00           N  
HETATM   45  C   UNL     1      12.207   0.569  -2.020  1.00  0.00           C  
HETATM   46  C   UNL     1      12.767   1.768  -1.606  1.00  0.00           C  
HETATM   47  C   UNL     1      12.034   2.583  -0.756  1.00  0.00           C  
HETATM   48  N   UNL     1      10.830   2.198  -0.372  1.00  0.00           N  
HETATM   49  O   UNL     1      -4.329  -5.065  -1.078  1.00  0.00           O  
HETATM   50  C   UNL     1      -4.777  -6.140  -1.905  1.00  0.00           C  
HETATM   51  H   UNL     1      -5.522   7.862  -1.309  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.775   6.082  -1.719  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.940   2.943   2.475  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.264   5.760  -1.874  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.010   7.540  -1.464  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.199   7.199   0.752  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.279   4.670  -0.647  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.786   1.466   1.796  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.531  -3.043  -0.959  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.302  -1.377  -1.155  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.755  -0.029   0.260  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.757   1.439  -0.808  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.252  -3.501   0.076  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.951  -3.278  -1.812  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.434  -1.707  -1.118  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.770  -3.644   2.214  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.588  -2.115   1.757  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.381  -3.707   1.518  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.279  -4.977   0.889  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.161  -4.117  -2.495  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.308  -5.277  -1.449  1.00  0.00           H  
HETATM   72  H   UNL     1       1.003  -1.692  -0.618  1.00  0.00           H  
HETATM   73  H   UNL     1       0.014  -0.998   0.689  1.00  0.00           H  
HETATM   74  H   UNL     1       3.670  -0.980   3.399  1.00  0.00           H  
HETATM   75  H   UNL     1       3.463  -2.711   3.028  1.00  0.00           H  
HETATM   76  H   UNL     1       5.802  -1.722   2.584  1.00  0.00           H  
HETATM   77  H   UNL     1       5.059  -2.624   1.247  1.00  0.00           H  
HETATM   78  H   UNL     1       4.270   1.057  -0.054  1.00  0.00           H  
HETATM   79  H   UNL     1       2.026  -0.068   0.101  1.00  0.00           H  
HETATM   80  H   UNL     1       2.320   0.693   1.685  1.00  0.00           H  
HETATM   81  H   UNL     1       6.751  -1.888  -0.650  1.00  0.00           H  
HETATM   82  H   UNL     1       8.991  -1.219  -1.406  1.00  0.00           H  
HETATM   83  H   UNL     1       8.671   2.411   0.852  1.00  0.00           H  
HETATM   84  H   UNL     1       6.426   1.750   1.600  1.00  0.00           H  
HETATM   85  H   UNL     1      12.752  -0.089  -2.681  1.00  0.00           H  
HETATM   86  H   UNL     1      13.752   2.061  -1.938  1.00  0.00           H  
HETATM   87  H   UNL     1      12.441   3.524  -0.415  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.897  -5.786  -2.929  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.043  -6.946  -1.883  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.734  -6.509  -1.535  1.00  0.00           H  
CONECT    1    4    5   51   52                                       
CONECT    2   20   20    6    5                                       
CONECT    3    7    7   20   53                                       
CONECT    4    5    1   54   55                                       
CONECT    5    2    4    1   56                                       
CONECT    6    8    8    2   57                                       
CONECT    7    3    3    8   58                                       
CONECT    8    7   19    6    6                                       
CONECT    9   10   12   12   59                                       
CONECT   10   11   11    9   60                                       
CONECT   11   17   10   10   15                                       
CONECT   12    9    9   16   21                                       
CONECT   13   21   22   22   14                                       
CONECT   14   26   13   23   27                                       
CONECT   15   11   19   16   16                                       
CONECT   16   15   15   12   61                                       
CONECT   17   18   11   62                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   15    8                                       
CONECT   20    3    2    2                                            
CONECT   21   12   13   63                                            
CONECT   22   13   13                                                 
CONECT   23   24   14   64   65                                       
CONECT   24   25   28   23                                            
CONECT   25   26   24   66   67                                       
CONECT   26   25   14   68   69                                       
CONECT   27   14   49   70   71                                       
CONECT   28   29   24   72   73                                       
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   36                                            
CONECT   32   33   31   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   37   35   35                                       
CONECT   35   34   34   36   78                                       
CONECT   36   31   35   79   80                                       
CONECT   37   38   34   42   42                                       
CONECT   38   39   39   37   81                                       
CONECT   39   38   38   40   82                                       
CONECT   40   39   43   41   41                                       
CONECT   41   40   40   42   83                                       
CONECT   42   37   37   41   84                                       
CONECT   43   44   40   48   48                                       
CONECT   44   45   45   43                                            
CONECT   45   44   44   46   85                                       
CONECT   46   45   47   47   86                                       
CONECT   47   46   46   48   87                                       
CONECT   48   43   43   47                                            
CONECT   49   27   50                                                 
CONECT   50   49   88   89   90                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   50                                                      
CONECT   89   50                                                      
CONECT   90   50                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
