COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.268  -2.605  -1.544  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.520  -1.317  -1.320  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.269   2.461   0.262  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.267   3.586  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.377   3.643   1.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.681   3.111   0.405  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.221   1.957   1.250  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.602   0.790   0.338  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.144  -0.532   0.959  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.642  -2.277   0.266  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.527  -2.074  -0.738  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.041   1.177   0.558  1.00  0.00           C  
HETATM   13  C   UNL     1       0.160   0.910   0.523  1.00  0.00           C  
HETATM   14  C   UNL     1       1.215  -0.199   0.496  1.00  0.00           C  
HETATM   15  C   UNL     1       3.011  -1.222   1.756  1.00  0.00           C  
HETATM   16  C   UNL     1       3.056  -2.112   3.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.499  -2.662   1.686  1.00  0.00           C  
HETATM   18  C   UNL     1       4.319  -0.915   1.072  1.00  0.00           C  
HETATM   19  C   UNL     1       4.478   0.276   0.390  1.00  0.00           C  
HETATM   20  C   UNL     1       5.677   0.558  -0.238  1.00  0.00           C  
HETATM   21  C   UNL     1       6.717  -0.352  -0.182  1.00  0.00           C  
HETATM   22  C   UNL     1       6.558  -1.542   0.502  1.00  0.00           C  
HETATM   23  C   UNL     1       5.360  -1.822   1.133  1.00  0.00           C  
HETATM   24  C   UNL     1       5.851   1.856  -0.983  1.00  0.00           C  
HETATM   25  C   UNL     1       7.233   1.887  -1.639  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.447   1.067  -0.867  1.00  0.00           C  
HETATM   27  C   UNL     1       4.773   1.973  -2.062  1.00  0.00           C  
HETATM   28  C   UNL     1       5.724   3.026  -0.006  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.750  -2.715  -2.984  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.181  -3.642   0.595  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.357   2.286  -0.948  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.362  -2.751  -0.569  1.00  0.00           N  
HETATM   33  N   UNL     1       2.013  -0.145   1.728  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.203  -0.137  -1.280  1.00  0.00           N  
HETATM   35  O   UNL     1      -5.738  -1.427  -0.079  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.729  -1.309  -1.657  1.00  0.00           O  
HETATM   37  O   UNL     1       0.772   2.139   0.918  1.00  0.00           O  
HETATM   38  O   UNL     1       0.693  -1.351  -1.205  1.00  0.00           O  
HETATM   39  H   UNL     1      -0.554  -3.433  -1.367  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.685   2.749   1.136  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.731   4.538  -0.057  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.700   3.415  -1.031  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.112   3.094   1.896  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.533   4.694   1.286  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.419   3.916   0.382  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.503   2.766  -0.614  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.470   1.637   1.968  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.109   2.293   1.791  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.686   0.770   0.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.126   0.915  -0.635  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.312  -0.352   1.637  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.971  -0.976   1.515  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.971  -3.316   0.235  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.289  -2.025   1.263  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.645   0.907  -0.309  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.339   0.373   0.777  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.692   1.335   1.418  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.623   0.649   1.235  1.00  0.00           H  
HETATM   59  H   UNL     1       0.721  -1.168   0.425  1.00  0.00           H  
HETATM   60  H   UNL     1       1.867  -0.059  -0.366  1.00  0.00           H  
HETATM   61  H   UNL     1       4.031  -2.475   3.325  1.00  0.00           H  
HETATM   62  H   UNL     1       2.345  -1.897   3.798  1.00  0.00           H  
HETATM   63  H   UNL     1       1.421  -2.810   1.619  1.00  0.00           H  
HETATM   64  H   UNL     1       3.108  -3.387   1.146  1.00  0.00           H  
HETATM   65  H   UNL     1       3.666   0.987   0.346  1.00  0.00           H  
HETATM   66  H   UNL     1       7.654  -0.132  -0.673  1.00  0.00           H  
HETATM   67  H   UNL     1       7.370  -2.253   0.545  1.00  0.00           H  
HETATM   68  H   UNL     1       5.236  -2.752   1.667  1.00  0.00           H  
HETATM   69  H   UNL     1       7.330   1.044  -2.323  1.00  0.00           H  
HETATM   70  H   UNL     1       7.353   2.819  -2.191  1.00  0.00           H  
HETATM   71  H   UNL     1       8.002   1.820  -0.869  1.00  0.00           H  
HETATM   72  H   UNL     1       0.380   1.209  -1.585  1.00  0.00           H  
HETATM   73  H   UNL     1       3.793   2.046  -1.590  1.00  0.00           H  
HETATM   74  H   UNL     1       4.954   2.864  -2.663  1.00  0.00           H  
HETATM   75  H   UNL     1       4.802   1.091  -2.703  1.00  0.00           H  
HETATM   76  H   UNL     1       6.531   2.979   0.724  1.00  0.00           H  
HETATM   77  H   UNL     1       5.784   3.966  -0.555  1.00  0.00           H  
HETATM   78  H   UNL     1       4.765   2.967   0.508  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.385  -1.861  -3.221  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.891  -2.727  -3.655  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.320  -3.636  -3.108  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.740  -3.080   1.418  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.149  -4.038   0.903  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.522  -4.467   0.323  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.976   2.209  -1.850  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.736   3.185  -1.054  1.00  0.00           H  
HETATM   87  H   UNL     1       1.421  -0.179   2.545  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.139  -0.082  -1.549  1.00  0.00           H  
HETATM   89  H   UNL     1       1.480   2.433   0.328  1.00  0.00           H  
CONECT    1    2   29   32   39                                       
CONECT    2   38   38   34    1                                       
CONECT    3   12   31    4   40                                       
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9   35    8   51   52                                       
CONECT   10   11   35   53   54                                       
CONECT   11   32   36   36   10                                       
CONECT   12    3   55   56   57                                       
CONECT   13   14   37   26   58                                       
CONECT   14   33   13   59   60                                       
CONECT   15   18   16   17   33                                       
CONECT   16   15   17   61   62                                       
CONECT   17   16   15   63   64                                       
CONECT   18   19   19   23   15                                       
CONECT   19   20   18   18   65                                       
CONECT   20   24   21   21   19                                       
CONECT   21   20   20   22   66                                       
CONECT   22   21   23   23   67                                       
CONECT   23   22   22   18   68                                       
CONECT   24   27   25   20   28                                       
CONECT   25   24   69   70   71                                       
CONECT   26   13   31   34   72                                       
CONECT   27   24   73   74   75                                       
CONECT   28   24   76   77   78                                       
CONECT   29    1   79   80   81                                       
CONECT   30   32   82   83   84                                       
CONECT   31   26    3   85   86                                       
CONECT   32    1   30   11                                            
CONECT   33   15   14   87                                            
CONECT   34   26    2   88                                            
CONECT   35   10    9                                                 
CONECT   36   11   11                                                 
CONECT   37   13   89                                                 
CONECT   38    2    2                                                 
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   37                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
