COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.383   0.796   0.918  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.215  -0.262   1.345  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.601  -1.781   0.584  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.806  -0.710   0.183  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.136  -3.166   0.384  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.490  -0.965  -0.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.156  -4.074   1.446  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.720  -5.368   1.251  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.264  -5.768   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.242  -4.874  -1.049  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.679  -3.579  -0.871  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.163  -0.352  -1.657  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.935  -0.593  -2.240  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.031  -1.442  -1.627  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.350  -2.054  -0.428  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.572  -1.816   0.167  1.00  0.00           C  
HETATM   17  C   UNL     1       0.308  -1.701  -2.269  1.00  0.00           C  
HETATM   18  C   UNL     1       1.538  -0.884  -0.351  1.00  0.00           C  
HETATM   19  C   UNL     1       2.440   0.248   0.146  1.00  0.00           C  
HETATM   20  C   UNL     1       3.758   0.222  -0.633  1.00  0.00           C  
HETATM   21  C   UNL     1       3.460   0.353  -2.129  1.00  0.00           C  
HETATM   22  C   UNL     1       2.528  -0.781  -2.560  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287   2.644  -0.284  1.00  0.00           C  
HETATM   24  C   UNL     1       6.316   2.528   0.616  1.00  0.00           C  
HETATM   25  C   UNL     1       5.871   1.228   0.366  1.00  0.00           C  
HETATM   26  C   UNL     1       7.564   2.736   1.183  1.00  0.00           C  
HETATM   27  C   UNL     1       8.368   1.658   1.494  1.00  0.00           C  
HETATM   28  C   UNL     1       7.931   0.363   1.241  1.00  0.00           C  
HETATM   29  C   UNL     1       6.681   0.148   0.680  1.00  0.00           C  
HETATM   30  C   UNL     1       8.747  -1.824   0.776  1.00  0.00           C  
HETATM   31  C   UNL     1       9.703  -2.955   1.059  1.00  0.00           C  
HETATM   32  C   UNL     1       9.493  -4.069   0.032  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.829   2.223   1.110  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.772   3.155   0.576  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.759   3.598   1.406  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.786   4.448   0.918  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.826   4.858  -0.407  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.843   4.412  -1.238  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.814   3.562  -0.745  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.812  -1.539   1.172  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.223   0.546   0.363  1.00  0.00           N  
HETATM   42  N   UNL     1       1.282  -0.713  -1.787  1.00  0.00           N  
HETATM   43  N   UNL     1       4.604   1.338  -0.201  1.00  0.00           N  
HETATM   44  N   UNL     1       5.299   3.388   0.200  1.00  0.00           N  
HETATM   45  N   UNL     1       8.752  -0.726   1.559  1.00  0.00           N  
HETATM   46  O   UNL     1       7.975  -1.902  -0.155  1.00  0.00           O  
HETATM   47  O   UNL     1       3.247   3.086  -0.734  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.292  -0.024   1.867  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.870   5.695  -0.889  1.00  0.00           O  
HETATM   50  H   UNL     1      -5.511  -3.763   2.418  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.735  -6.070   2.071  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.924  -6.782  -0.139  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.884  -5.194  -2.017  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.661  -2.883  -1.696  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.868   0.311  -2.136  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.680  -0.119  -3.176  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.640  -2.716   0.045  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.820  -2.294   1.103  1.00  0.00           H  
HETATM   59  H   UNL     1       0.648  -2.703  -2.008  1.00  0.00           H  
HETATM   60  H   UNL     1       0.214  -1.620  -3.352  1.00  0.00           H  
HETATM   61  H   UNL     1       2.029  -1.842  -0.181  1.00  0.00           H  
HETATM   62  H   UNL     1       0.592  -0.859   0.192  1.00  0.00           H  
HETATM   63  H   UNL     1       1.943   1.205  -0.011  1.00  0.00           H  
HETATM   64  H   UNL     1       2.642   0.113   1.209  1.00  0.00           H  
HETATM   65  H   UNL     1       4.274  -0.719  -0.445  1.00  0.00           H  
HETATM   66  H   UNL     1       2.980   1.312  -2.322  1.00  0.00           H  
HETATM   67  H   UNL     1       4.392   0.293  -2.692  1.00  0.00           H  
HETATM   68  H   UNL     1       2.303  -0.683  -3.622  1.00  0.00           H  
HETATM   69  H   UNL     1       3.015  -1.740  -2.380  1.00  0.00           H  
HETATM   70  H   UNL     1       7.907   3.741   1.380  1.00  0.00           H  
HETATM   71  H   UNL     1       9.341   1.822   1.935  1.00  0.00           H  
HETATM   72  H   UNL     1       6.341  -0.859   0.484  1.00  0.00           H  
HETATM   73  H   UNL     1      10.727  -2.589   0.995  1.00  0.00           H  
HETATM   74  H   UNL     1       9.518  -3.344   2.060  1.00  0.00           H  
HETATM   75  H   UNL     1       8.468  -4.434   0.096  1.00  0.00           H  
HETATM   76  H   UNL     1       9.677  -3.679  -0.969  1.00  0.00           H  
HETATM   77  H   UNL     1      10.184  -4.887   0.236  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.763   2.387   0.572  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.982   2.417   2.171  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.728   3.279   2.438  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.995   4.794   1.568  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.876   4.730  -2.270  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.603   3.211  -1.393  1.00  0.00           H  
HETATM   84  H   UNL     1       5.320   4.356   0.249  1.00  0.00           H  
HETATM   85  H   UNL     1       9.323  -0.691   2.342  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.100   5.241  -1.259  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.374  -2.275   1.460  1.00  0.00           H  
CONECT    1   41   41   33    2                                       
CONECT    2    1   40   48   48                                       
CONECT    3    4    4    5   40                                       
CONECT    4    6   41    3    3                                       
CONECT    5   11    3    7    7                                       
CONECT    6   16   16   12    4                                       
CONECT    7    5    5    8   50                                       
CONECT    8    9    9    7   51                                       
CONECT    9   10    8    8   52                                       
CONECT   10   11   11    9   53                                       
CONECT   11   10   10    5   54                                       
CONECT   12   13   13    6   55                                       
CONECT   13   14   12   12   56                                       
CONECT   14   17   15   15   13                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15    6    6   58                                       
CONECT   17   42   14   59   60                                       
CONECT   18   19   42   61   62                                       
CONECT   19   20   18   63   64                                       
CONECT   20   43   21   19   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22   21   42   68   69                                       
CONECT   23   44   43   47   47                                       
CONECT   24   26   44   25   25                                       
CONECT   25   24   24   29   43                                       
CONECT   26   27   27   24   70                                       
CONECT   27   26   26   28   71                                       
CONECT   28   27   45   29   29                                       
CONECT   29   28   28   25   72                                       
CONECT   30   31   45   46   46                                       
CONECT   31   32   30   73   74                                       
CONECT   32   31   75   76   77                                       
CONECT   33   34    1   78   79                                       
CONECT   34   35   39   39   33                                       
CONECT   35   36   36   34   80                                       
CONECT   36   35   35   37   81                                       
CONECT   37   36   49   38   38                                       
CONECT   38   37   37   39   82                                       
CONECT   39   34   34   38   83                                       
CONECT   40    3    2   87                                            
CONECT   41    4    1    1                                            
CONECT   42   22   18   17                                            
CONECT   43   25   23   20                                            
CONECT   44   24   23   84                                            
CONECT   45   30   28   85                                            
CONECT   46   30   30                                                 
CONECT   47   23   23                                                 
CONECT   48    2    2                                                 
CONECT   49   37   86                                                 
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   49                                                      
CONECT   87   40                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
