COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.642   0.610   0.923  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.669  -0.047   1.941  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.795   0.279  -0.072  1.00  0.00           N  
HETATM    4  C   UNL     1       0.169  -0.808   0.119  1.00  0.00           C  
HETATM    5  C   UNL     1       0.033  -1.817  -1.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.309  -2.497  -0.935  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.420  -1.914  -1.516  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -3.708  -0.278  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.650  -2.538  -1.435  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.659  -4.332  -0.197  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.771  -3.746  -0.773  1.00  0.00           C  
HETATM   12  C   UNL     1       1.588  -0.236   0.128  1.00  0.00           C  
HETATM   13  O   UNL     1       1.887   0.314  -1.157  1.00  0.00           O  
HETATM   14  C   UNL     1       2.585  -1.350   0.451  1.00  0.00           C  
HETATM   15  N   UNL     1       3.933  -0.779   0.577  1.00  0.00           N  
HETATM   16  C   UNL     1       4.919  -1.823   0.888  1.00  0.00           C  
HETATM   17  C   UNL     1       6.287  -1.201   1.009  1.00  0.00           C  
HETATM   18  C   UNL     1       6.730  -0.741   2.236  1.00  0.00           C  
HETATM   19  C   UNL     1       7.984  -0.170   2.352  1.00  0.00           C  
HETATM   20  C   UNL     1       8.799  -0.058   1.242  1.00  0.00           C  
HETATM   21  C   UNL     1       8.357  -0.519   0.009  1.00  0.00           C  
HETATM   22  C   UNL     1       7.098  -1.096  -0.103  1.00  0.00           C  
HETATM   23  N   UNL     1       9.178  -0.406  -1.116  1.00  0.00           N  
HETATM   24  C   UNL     1      10.507   0.199  -0.995  1.00  0.00           C  
HETATM   25  C   UNL     1       8.710  -0.893  -2.416  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.560   1.795   0.766  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.986   1.937  -0.634  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.318   1.813  -0.704  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.936   1.888  -1.748  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.906   1.598   0.480  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.878   1.563   1.531  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.345   1.426   0.694  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.713  -0.022   0.495  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.807  -0.867   1.584  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.962  -0.503  -0.777  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.299  -1.831  -0.960  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.144  -2.195   1.402  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.387  -2.678   0.129  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.873   3.073   1.251  1.00  0.00           C  
HETATM   40  C   UNL     1       1.648   3.125  -0.110  1.00  0.00           C  
HETATM   41  C   UNL     1       1.497   3.910  -1.237  1.00  0.00           C  
HETATM   42  C   UNL     1       0.255   4.424  -1.560  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.836   4.153  -0.754  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.684   3.368   0.373  1.00  0.00           C  
HETATM   45  C   UNL     1       0.558   2.854   0.696  1.00  0.00           C  
HETATM   46  H   UNL     1      -0.823   0.759  -0.914  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.028  -1.306   1.069  1.00  0.00           H  
HETATM   48  H   UNL     1       0.115  -1.298  -1.978  1.00  0.00           H  
HETATM   49  H   UNL     1       0.824  -2.563  -0.945  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.325  -0.970  -2.033  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.560  -4.166   0.172  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.518  -2.082  -1.888  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.753  -5.278   0.316  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.732  -4.233  -0.710  1.00  0.00           H  
HETATM   55  H   UNL     1       1.660   0.547   0.883  1.00  0.00           H  
HETATM   56  H   UNL     1       1.843  -0.327  -1.879  1.00  0.00           H  
HETATM   57  H   UNL     1       2.304  -1.829   1.389  1.00  0.00           H  
HETATM   58  H   UNL     1       2.577  -2.089  -0.351  1.00  0.00           H  
HETATM   59  H   UNL     1       4.191  -0.275  -0.257  1.00  0.00           H  
HETATM   60  H   UNL     1       4.654  -2.305   1.829  1.00  0.00           H  
HETATM   61  H   UNL     1       4.927  -2.565   0.089  1.00  0.00           H  
HETATM   62  H   UNL     1       6.095  -0.827   3.105  1.00  0.00           H  
HETATM   63  H   UNL     1       8.327   0.189   3.311  1.00  0.00           H  
HETATM   64  H   UNL     1       9.778   0.389   1.334  1.00  0.00           H  
HETATM   65  H   UNL     1       6.753  -1.459  -1.060  1.00  0.00           H  
HETATM   66  H   UNL     1      11.238  -0.575  -0.763  1.00  0.00           H  
HETATM   67  H   UNL     1      10.773   0.681  -1.935  1.00  0.00           H  
HETATM   68  H   UNL     1      10.497   0.940  -0.196  1.00  0.00           H  
HETATM   69  H   UNL     1       8.192  -0.090  -2.940  1.00  0.00           H  
HETATM   70  H   UNL     1       9.563  -1.222  -3.009  1.00  0.00           H  
HETATM   71  H   UNL     1       8.027  -1.729  -2.267  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.395   2.095  -1.387  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.868   0.590   2.023  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.045   2.359   2.257  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.600   1.730   1.709  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.894   2.042  -0.018  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.616  -0.490   2.578  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.893   0.159  -1.628  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.494  -2.207  -1.953  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.217  -2.856   2.253  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.651  -3.715  -0.013  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.576   3.905   1.202  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.540   2.939   2.280  1.00  0.00           H  
HETATM   84  H   UNL     1       2.618   2.719   0.140  1.00  0.00           H  
HETATM   85  H   UNL     1       2.349   4.122  -1.866  1.00  0.00           H  
HETATM   86  H   UNL     1       0.137   5.038  -2.441  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.806   4.556  -1.006  1.00  0.00           H  
HETATM   88  H   UNL     1       0.676   2.240   1.577  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   46                                            
CONECT    4    3    5   12   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   50                                       
CONECT    8    6   10   10   51                                       
CONECT    9    7   11   11   52                                       
CONECT   10    8    8   11   53                                       
CONECT   11    9    9   10   54                                       
CONECT   12    4   13   14   55                                       
CONECT   13   12   56                                                 
CONECT   14   12   15   57   58                                       
CONECT   15   14   16   59                                            
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   62                                       
CONECT   19   18   20   20   63                                       
CONECT   20   19   19   21   64                                       
CONECT   21   20   22   22   23                                       
CONECT   22   17   21   21   65                                       
CONECT   23   21   24   25                                            
CONECT   24   23   66   67   68                                       
CONECT   25   23   69   70   71                                       
CONECT   26    1   27   31   39                                       
CONECT   27   26   28   72                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   32                                            
CONECT   31   26   30   73   74                                       
CONECT   32   30   33   75   76                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33   37   77                                       
CONECT   35   33   36   36   78                                       
CONECT   36   35   35   38   79                                       
CONECT   37   34   38   38   80                                       
CONECT   38   36   37   37   81                                       
CONECT   39   26   44   82   83                                       
CONECT   40   41   41   45   84                                       
CONECT   41   40   40   42   85                                       
CONECT   42   41   43   43   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   39   43   45   45                                       
CONECT   45   40   44   44   88                                       
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
