COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.102  -1.301  -0.783  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.831  -2.220  -1.530  1.00  0.00           O  
HETATM    3  O   UNL     1      -6.355  -1.167  -0.308  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.330  -2.157  -0.731  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.665  -1.847  -0.104  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.561  -1.023  -0.758  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.785  -0.739  -0.183  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.113  -1.278   1.047  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.217  -2.103   1.701  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.995  -2.392   1.123  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.148  -0.419  -0.425  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.783  -0.569  -0.937  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.816   0.086   0.015  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.225   0.624   1.022  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.678   0.098  -2.310  1.00  0.00           C  
HETATM   16  N   UNL     1       4.186  -1.612   0.190  1.00  0.00           N  
HETATM   17  C   UNL     1       3.007  -2.257   0.775  1.00  0.00           C  
HETATM   18  C   UNL     1       2.584  -1.816   2.178  1.00  0.00           C  
HETATM   19  C   UNL     1       1.753  -1.401   0.961  1.00  0.00           C  
HETATM   20  C   UNL     1       1.825   0.063   0.522  1.00  0.00           C  
HETATM   21  C   UNL     1       0.446   0.709   0.673  1.00  0.00           C  
HETATM   22  C   UNL     1       0.545   2.202   0.353  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.804   2.872   0.624  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.706   4.342   0.309  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.997   4.798  -0.964  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.908   6.146  -1.252  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.528   7.040  -0.268  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.237   6.585   1.004  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.332   5.237   1.294  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.495   0.073  -0.252  1.00  0.00           N  
HETATM   31  O   UNL     1       7.453  -2.227   2.104  1.00  0.00           O  
HETATM   32  C   UNL     1       7.722  -2.197   0.927  1.00  0.00           C  
HETATM   33  C   UNL     1       7.181  -1.090   0.059  1.00  0.00           C  
HETATM   34  C   UNL     1       8.344  -0.311  -0.558  1.00  0.00           C  
HETATM   35  C   UNL     1       9.203   0.289   0.557  1.00  0.00           C  
HETATM   36  C   UNL     1      10.434   0.962  -0.054  1.00  0.00           C  
HETATM   37  C   UNL     1       7.795   0.813  -1.439  1.00  0.00           C  
HETATM   38  C   UNL     1       6.321  -1.690  -1.056  1.00  0.00           C  
HETATM   39  O   UNL     1       7.085  -2.659  -1.777  1.00  0.00           O  
HETATM   40  C   UNL     1       5.109  -2.353  -0.454  1.00  0.00           C  
HETATM   41  O   UNL     1       4.965  -3.554  -0.548  1.00  0.00           O  
HETATM   42  H   UNL     1      -7.424  -2.134  -1.816  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.002  -3.148  -0.416  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.304  -0.601  -1.719  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.485  -0.094  -0.694  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.069  -1.055   1.497  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.473  -2.524   2.662  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.295  -3.036   1.634  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.365   0.314   0.172  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.543  -1.628  -1.028  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.663  -0.013  -2.691  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.378  -0.376  -2.998  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.918   1.157  -2.219  1.00  0.00           H  
HETATM   54  H   UNL     1       4.301  -0.652   0.266  1.00  0.00           H  
HETATM   55  H   UNL     1       2.867  -3.306   0.514  1.00  0.00           H  
HETATM   56  H   UNL     1       2.165  -2.574   2.839  1.00  0.00           H  
HETATM   57  H   UNL     1       3.182  -1.046   2.665  1.00  0.00           H  
HETATM   58  H   UNL     1       0.787  -1.887   0.822  1.00  0.00           H  
HETATM   59  H   UNL     1       2.545   0.594   1.145  1.00  0.00           H  
HETATM   60  H   UNL     1       2.139   0.115  -0.520  1.00  0.00           H  
HETATM   61  H   UNL     1       0.094   0.579   1.696  1.00  0.00           H  
HETATM   62  H   UNL     1       1.310   2.658   0.982  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.568   2.415  -0.005  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.293   4.099  -1.732  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.134   6.502  -2.247  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.458   8.094  -0.494  1.00  0.00           H  
HETATM   67  H   UNL     1       0.060   7.283   1.773  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.105   4.881   2.289  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.167  -0.358  -1.058  1.00  0.00           H  
HETATM   70  H   UNL     1       0.812   2.332  -0.696  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.070   2.741   1.673  1.00  0.00           H  
HETATM   72  H   UNL     1       8.350  -2.963   0.497  1.00  0.00           H  
HETATM   73  H   UNL     1       6.573  -0.418   0.664  1.00  0.00           H  
HETATM   74  H   UNL     1       8.952  -0.983  -1.163  1.00  0.00           H  
HETATM   75  H   UNL     1       8.621   1.028   1.107  1.00  0.00           H  
HETATM   76  H   UNL     1       9.522  -0.502   1.236  1.00  0.00           H  
HETATM   77  H   UNL     1      11.046   1.390   0.740  1.00  0.00           H  
HETATM   78  H   UNL     1      11.017   0.224  -0.605  1.00  0.00           H  
HETATM   79  H   UNL     1      10.116   1.753  -0.733  1.00  0.00           H  
HETATM   80  H   UNL     1       7.182   0.385  -2.233  1.00  0.00           H  
HETATM   81  H   UNL     1       7.187   1.485  -0.834  1.00  0.00           H  
HETATM   82  H   UNL     1       8.623   1.368  -1.878  1.00  0.00           H  
HETATM   83  H   UNL     1       6.003  -0.899  -1.735  1.00  0.00           H  
HETATM   84  H   UNL     1       7.402  -3.394  -1.234  1.00  0.00           H  
CONECT    1    3    2    2   11                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    5    3   42   43                                       
CONECT    5    6    6   10    4                                       
CONECT    6    7    5    5   44                                       
CONECT    7    8    8    6   45                                       
CONECT    8    7    7    9   46                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9    5   48                                       
CONECT   11    1   12   49                                            
CONECT   12   13   11   15   50                                       
CONECT   13   14   14   30   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   51   52   53                                       
CONECT   16   17   40   54                                            
CONECT   17   18   16   19   55                                       
CONECT   18   19   17   56   57                                       
CONECT   19   20   18   17   58                                       
CONECT   20   21   19   59   60                                       
CONECT   21   22   20   30   61                                       
CONECT   22   23   21   62   70                                       
CONECT   23   24   22   63   71                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   64                                       
CONECT   26   27   27   25   65                                       
CONECT   27   28   26   26   66                                       
CONECT   28   29   29   27   67                                       
CONECT   29   28   28   24   68                                       
CONECT   30   21   13   69                                            
CONECT   31   32   32                                                 
CONECT   32   31   31   33   72                                       
CONECT   33   32   34   38   73                                       
CONECT   34   35   33   37   74                                       
CONECT   35   34   36   75   76                                       
CONECT   36   35   77   78   79                                       
CONECT   37   34   80   81   82                                       
CONECT   38   39   33   40   83                                       
CONECT   39   38   84                                                 
CONECT   40   16   38   41   41                                       
CONECT   41   40   40                                                 
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
