COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.112  -0.444   0.094  1.00  0.00           C  
HETATM    2  C   UNL     1       1.633  -0.436   0.068  1.00  0.00           C  
HETATM    3  C   UNL     1       7.982  -0.979   1.334  1.00  0.00           C  
HETATM    4  C   UNL     1       6.107  -1.629   2.876  1.00  0.00           C  
HETATM    5  C   UNL     1       5.923  -0.617   0.561  1.00  0.00           C  
HETATM    6  C   UNL     1       4.509  -0.562   0.475  1.00  0.00           C  
HETATM    7  C   UNL     1       2.418  -1.593  -0.035  1.00  0.00           C  
HETATM    8  C   UNL     1       1.595  -2.625  -0.356  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.859  -2.957  -0.783  1.00  0.00           C  
HETATM   10  C   UNL     1       0.330  -0.806  -0.192  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.838   0.082  -0.196  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.800   2.247   0.079  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.141   1.842   0.028  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.781   3.595   0.256  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.468   5.443   0.489  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.914   2.975   0.172  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.797  -0.511  -0.241  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.360  -1.934  -0.269  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.885  -1.877  -0.377  1.00  0.00           C  
HETATM   20  C   UNL     1     -14.191  -3.926   0.875  1.00  0.00           C  
HETATM   21  C   UNL     1     -15.855  -3.236  -0.743  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.379   3.028   0.180  1.00  0.00           C  
HETATM   23  C   UNL     1      10.497  -0.446   0.034  1.00  0.00           C  
HETATM   24  C   UNL     1      11.766  -0.160  -0.659  1.00  0.00           C  
HETATM   25  C   UNL     1      13.179   0.471  -2.164  1.00  0.00           C  
HETATM   26  C   UNL     1      13.904   0.012  -1.114  1.00  0.00           C  
HETATM   27  C   UNL     1      13.346  -0.961   1.146  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.556   1.941   0.036  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.118   0.519   0.009  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.621   0.575  -0.097  1.00  0.00           C  
HETATM   31  C   UNL     1       6.820  -0.204  -0.410  1.00  0.00           C  
HETATM   32  O   UNL     1       3.926   0.486   0.687  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.953  -0.380  -0.351  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.949   4.102   0.224  1.00  0.00           O  
HETATM   35  O   UNL     1      10.510  -0.929   1.150  1.00  0.00           O  
HETATM   36  O   UNL     1     -10.186   1.647  -0.146  1.00  0.00           O  
HETATM   37  O   UNL     1       6.511   0.327  -1.622  1.00  0.00           O  
HETATM   38  N   UNL     1       6.660  -1.092   1.630  1.00  0.00           N  
HETATM   39  N   UNL     1       3.810  -1.670   0.158  1.00  0.00           N  
HETATM   40  N   UNL     1       0.324  -2.156  -0.457  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.675   1.409  -0.027  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.062   4.046   0.311  1.00  0.00           N  
HETATM   43  N   UNL     1     -10.337  -0.566  -0.138  1.00  0.00           N  
HETATM   44  N   UNL     1     -14.425  -3.242  -0.403  1.00  0.00           N  
HETATM   45  N   UNL     1       9.323  -0.171  -0.568  1.00  0.00           N  
HETATM   46  N   UNL     1      13.019  -0.390  -0.163  1.00  0.00           N  
HETATM   47  N   UNL     1      11.887   0.354  -1.865  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.095   1.887   0.140  1.00  0.00           N  
HETATM   49  H   UNL     1       1.981   0.557   0.310  1.00  0.00           H  
HETATM   50  H   UNL     1       8.797  -1.268   1.981  1.00  0.00           H  
HETATM   51  H   UNL     1       5.876  -2.686   2.746  1.00  0.00           H  
HETATM   52  H   UNL     1       6.837  -1.513   3.678  1.00  0.00           H  
HETATM   53  H   UNL     1       5.197  -1.087   3.134  1.00  0.00           H  
HETATM   54  H   UNL     1       1.901  -3.650  -0.506  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.062  -2.886  -1.852  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.677  -3.998  -0.517  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.716  -2.583  -0.224  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.501   0.831  -0.100  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.895   4.206   0.338  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.488   5.682   1.553  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.756   6.095  -0.016  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.461   5.589   0.065  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.077   0.008  -1.158  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.202   0.023   0.618  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.955  -2.468  -1.128  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.080  -2.453   0.647  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.290  -1.342   0.483  1.00  0.00           H  
HETATM   68  H   UNL     1     -14.165  -1.357  -1.293  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.538  -4.957   0.805  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.125  -3.916   1.102  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.736  -3.413   1.668  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.993  -2.787  -1.726  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.229  -4.260  -0.755  1.00  0.00           H  
HETATM   74  H   UNL     1     -16.402  -2.658   0.002  1.00  0.00           H  
HETATM   75  H   UNL     1      13.581   0.864  -3.085  1.00  0.00           H  
HETATM   76  H   UNL     1      14.981  -0.028  -1.047  1.00  0.00           H  
HETATM   77  H   UNL     1      13.416  -2.045   1.062  1.00  0.00           H  
HETATM   78  H   UNL     1      14.300  -0.560   1.488  1.00  0.00           H  
HETATM   79  H   UNL     1      12.565  -0.701   1.861  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.836   2.461  -0.880  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.961   2.476   0.896  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.713  -0.015  -0.851  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.838  -0.001   0.925  1.00  0.00           H  
HETATM   84  H   UNL     1       6.431   1.291  -1.619  1.00  0.00           H  
HETATM   85  H   UNL     1       4.266  -2.521   0.064  1.00  0.00           H  
HETATM   86  H   UNL     1       0.217   1.787   0.020  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.885  -1.423  -0.099  1.00  0.00           H  
HETATM   88  H   UNL     1       9.314   0.214  -1.458  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.643   1.029   0.178  1.00  0.00           H  
CONECT    1   31   45    3    3                                       
CONECT    2   10   10    7   49                                       
CONECT    3    1    1   38   50                                       
CONECT    4   38   51   52   53                                       
CONECT    5    6   31   31   38                                       
CONECT    6   39   32   32    5                                       
CONECT    7    2    8    8   39                                       
CONECT    8   40    7    7   54                                       
CONECT    9   40   55   56   57                                       
CONECT   10   11   40    2    2                                       
CONECT   11   33   33   41   10                                       
CONECT   12   14   14   13   41                                       
CONECT   13   16   16   12   58                                       
CONECT   14   42   12   12   59                                       
CONECT   15   42   60   61   62                                       
CONECT   16   22   42   13   13                                       
CONECT   17   18   43   63   64                                       
CONECT   18   19   17   65   66                                       
CONECT   19   44   18   67   68                                       
CONECT   20   44   69   70   71                                       
CONECT   21   44   72   73   74                                       
CONECT   22   34   34   48   16                                       
CONECT   23   45   24   35   35                                       
CONECT   24   47   47   23   46                                       
CONECT   25   47   26   26   75                                       
CONECT   26   25   25   46   76                                       
CONECT   27   46   77   78   79                                       
CONECT   28   29   48   80   81                                       
CONECT   29   30   28   82   83                                       
CONECT   30   36   36   43   29                                       
CONECT   31   37    5    5    1                                       
CONECT   32    6    6                                                 
CONECT   33   11   11                                                 
CONECT   34   22   22                                                 
CONECT   35   23   23                                                 
CONECT   36   30   30                                                 
CONECT   37   31   84                                                 
CONECT   38    5    3    4                                            
CONECT   39    7    6   85                                            
CONECT   40   10    9    8                                            
CONECT   41   12   11   86                                            
CONECT   42   15   16   14                                            
CONECT   43   17   30   87                                            
CONECT   44   21   19   20                                            
CONECT   45    1   23   88                                            
CONECT   46   24   26   27                                            
CONECT   47   25   24   24                                            
CONECT   48   28   22   89                                            
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   37                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   45                                                      
CONECT   89   48                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
