COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.826  -0.993  -0.079  1.00  0.00           C  
HETATM    2  O   UNL     1       2.729  -0.266   0.731  1.00  0.00           O  
HETATM    3  C   UNL     1       1.127  -2.078   0.751  1.00  0.00           C  
HETATM    4  N   UNL     1       0.584  -1.539   1.985  1.00  0.00           N  
HETATM    5  C   UNL     1       2.163  -3.158   1.122  1.00  0.00           C  
HETATM    6  O   UNL     1       1.514  -4.222   1.821  1.00  0.00           O  
HETATM    7  C   UNL     1       2.787  -3.696  -0.170  1.00  0.00           C  
HETATM    8  O   UNL     1       3.790  -4.663   0.145  1.00  0.00           O  
HETATM    9  C   UNL     1       3.424  -2.509  -0.901  1.00  0.00           C  
HETATM   10  O   UNL     1       2.431  -1.554  -1.229  1.00  0.00           O  
HETATM   11  C   UNL     1       4.097  -3.008  -2.183  1.00  0.00           C  
HETATM   12  N   UNL     1       4.810  -1.897  -2.826  1.00  0.00           N  
HETATM   13  C   UNL     1       4.629   3.462   0.150  1.00  0.00           C  
HETATM   14  N   UNL     1       5.317   4.582  -0.508  1.00  0.00           N  
HETATM   15  C   UNL     1       5.454   2.182  -0.016  1.00  0.00           C  
HETATM   16  C   UNL     1       4.709   1.043   0.676  1.00  0.00           C  
HETATM   17  N   UNL     1       5.517  -0.178   0.597  1.00  0.00           N  
HETATM   18  C   UNL     1       3.344   0.807   0.021  1.00  0.00           C  
HETATM   19  C   UNL     1       2.518   2.087   0.159  1.00  0.00           C  
HETATM   20  O   UNL     1       1.269   1.951  -0.522  1.00  0.00           O  
HETATM   21  C   UNL     1       3.264   3.246  -0.500  1.00  0.00           C  
HETATM   22  O   UNL     1       2.487   4.437  -0.370  1.00  0.00           O  
HETATM   23  C   UNL     1       0.206   1.952   0.451  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.115   1.720  -0.313  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.880   2.927  -0.360  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.857   0.647   0.507  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.107   1.156   0.980  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.912   0.358   1.688  1.00  0.00           C  
HETATM   29  O   UNL     1       0.379   0.821   1.296  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.816  -1.173   1.892  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.094   0.790   0.012  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.403   1.519   0.323  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.886   1.117   1.651  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.446   1.147  -0.738  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.042   1.663  -2.008  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.549  -0.381  -0.807  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.087  -0.880   0.420  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.153  -0.966  -1.034  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.303  -0.620   0.058  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.251  -2.489  -1.140  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.912  -3.051  -1.360  1.00  0.00           N  
HETATM   42  H   UNL     1       1.037  -0.310  -0.447  1.00  0.00           H  
HETATM   43  H   UNL     1       0.343  -2.536   0.146  1.00  0.00           H  
HETATM   44  H   UNL     1       1.153  -0.916   2.460  1.00  0.00           H  
HETATM   45  H   UNL     1       2.936  -2.722   1.752  1.00  0.00           H  
HETATM   46  H   UNL     1       2.195  -4.874   2.034  1.00  0.00           H  
HETATM   47  H   UNL     1       2.018  -4.147  -0.794  1.00  0.00           H  
HETATM   48  H   UNL     1       4.154  -4.973  -0.696  1.00  0.00           H  
HETATM   49  H   UNL     1       4.175  -2.056  -0.256  1.00  0.00           H  
HETATM   50  H   UNL     1       4.804  -3.800  -1.938  1.00  0.00           H  
HETATM   51  H   UNL     1       3.339  -3.396  -2.864  1.00  0.00           H  
HETATM   52  H   UNL     1       5.565  -1.639  -2.207  1.00  0.00           H  
HETATM   53  H   UNL     1       5.236  -2.270  -3.662  1.00  0.00           H  
HETATM   54  H   UNL     1       4.501   3.683   1.210  1.00  0.00           H  
HETATM   55  H   UNL     1       6.215   4.674  -0.057  1.00  0.00           H  
HETATM   56  H   UNL     1       5.497   4.293  -1.458  1.00  0.00           H  
HETATM   57  H   UNL     1       6.434   2.314   0.444  1.00  0.00           H  
HETATM   58  H   UNL     1       5.573   1.954  -1.075  1.00  0.00           H  
HETATM   59  H   UNL     1       4.556   1.304   1.724  1.00  0.00           H  
HETATM   60  H   UNL     1       6.400   0.030   1.039  1.00  0.00           H  
HETATM   61  H   UNL     1       5.059  -0.867   1.174  1.00  0.00           H  
HETATM   62  H   UNL     1       3.473   0.558  -1.023  1.00  0.00           H  
HETATM   63  H   UNL     1       2.345   2.310   1.206  1.00  0.00           H  
HETATM   64  H   UNL     1       3.403   3.022  -1.558  1.00  0.00           H  
HETATM   65  H   UNL     1       2.976   5.140  -0.820  1.00  0.00           H  
HETATM   66  H   UNL     1       0.190   2.895   0.979  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.915   1.358  -1.320  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.370   3.561  -0.883  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.014  -0.249  -0.092  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.264   0.828   2.601  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.344  -1.445   2.808  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.287  -1.678   1.046  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.749   1.073  -0.982  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.234   2.595   0.307  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.167   1.375   2.311  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.688   1.695   1.855  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.413   1.567  -0.463  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.725   1.406  -2.643  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.201  -0.665  -1.633  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.962  -0.481   0.523  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.738  -0.564  -1.958  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.899  -2.754  -1.975  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.666  -2.892  -0.216  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.380  -2.872  -0.522  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.025  -4.052  -1.424  1.00  0.00           H  
CONECT    1    2    3   10   42                                       
CONECT    2    1   18                                                 
CONECT    3    1    4    5   43                                       
CONECT    4    3   30   44                                            
CONECT    5    3    6    7   45                                       
CONECT    6    5   46                                                 
CONECT    7    5    8    9   47                                       
CONECT    8    7   48                                                 
CONECT    9    7   10   11   49                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   50   51                                       
CONECT   12   11   52   53                                            
CONECT   13   14   15   21   54                                       
CONECT   14   13   55   56                                            
CONECT   15   13   16   57   58                                       
CONECT   16   15   17   18   59                                       
CONECT   17   16   60   61                                            
CONECT   18    2   16   19   62                                       
CONECT   19   18   20   21   63                                       
CONECT   20   19   23                                                 
CONECT   21   13   19   22   64                                       
CONECT   22   21   65                                                 
CONECT   23   20   24   29   66                                       
CONECT   24   23   25   26   67                                       
CONECT   25   24   68                                                 
CONECT   26   24   27   28   69                                       
CONECT   27   26   31                                                 
CONECT   28   26   29   30   70                                       
CONECT   29   23   28                                                 
CONECT   30    4   28   71   72                                       
CONECT   31   27   32   39   73                                       
CONECT   32   31   33   34   74                                       
CONECT   33   32   75   76                                            
CONECT   34   32   35   36   77                                       
CONECT   35   34   78                                                 
CONECT   36   34   37   38   79                                       
CONECT   37   36   80                                                 
CONECT   38   36   39   40   81                                       
CONECT   39   31   38                                                 
CONECT   40   38   41   82   83                                       
CONECT   41   40   84   85                                            
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
