COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.056   1.960   2.357  1.00  0.00           C  
HETATM    2  O   UNL     1       5.457  -3.264   0.129  1.00  0.00           O  
HETATM    3  C   UNL     1      11.321   1.071   0.512  1.00  0.00           C  
HETATM    4  N   UNL     1       9.980   0.511   0.419  1.00  0.00           N  
HETATM    5  O   UNL     1      10.239  -1.229  -0.997  1.00  0.00           O  
HETATM    6  C   UNL     1       6.067  -2.071  -0.108  1.00  0.00           C  
HETATM    7  C   UNL     1       5.897   0.292  -0.627  1.00  0.00           C  
HETATM    8  N   UNL     1       7.906   1.621  -0.607  1.00  0.00           N  
HETATM    9  C   UNL     1       8.338   2.349   0.619  1.00  0.00           C  
HETATM   10  C   UNL     1       6.301  -4.373   0.444  1.00  0.00           C  
HETATM   11  C   UNL     1       3.225   0.124  -0.853  1.00  0.00           C  
HETATM   12  O   UNL     1       3.956  -1.061  -0.530  1.00  0.00           O  
HETATM   13  C   UNL     1       1.732  -0.202  -0.930  1.00  0.00           C  
HETATM   14  C   UNL     1       0.951   1.066  -1.276  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.483   0.753  -1.349  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.240   1.882  -1.908  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.713   1.488  -2.042  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.237   1.107  -0.723  1.00  0.00           N  
HETATM   19  C   UNL     1       9.099   1.184   1.416  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.480  -0.022  -0.164  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.007   0.373  -0.030  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.671   0.794  -0.796  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.234   0.647   0.618  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.663   0.335   0.545  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.043  -0.956   0.494  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.203  -1.835   0.509  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.469  -1.309   0.420  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.904  -2.625   0.364  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.263  -2.908   0.294  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.201  -1.916   0.278  1.00  0.00           C  
HETATM   31  C   UNL     1      11.462   1.402   2.023  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.801  -0.569   0.332  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.728   0.488   0.317  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.291   1.780   0.372  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.938   2.089   0.442  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.425  -0.269   0.404  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.992   1.075   0.459  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.549   1.349   0.537  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.153   2.497   0.591  1.00  0.00           O  
HETATM   40  C   UNL     1       8.024  -0.732  -0.283  1.00  0.00           C  
HETATM   41  C   UNL     1       9.506  -0.522  -0.331  1.00  0.00           C  
HETATM   42  C   UNL     1       7.447  -1.970  -0.039  1.00  0.00           C  
HETATM   43  C   UNL     1       5.305  -0.944  -0.423  1.00  0.00           C  
HETATM   44  C   UNL     1       7.283   0.406  -0.524  1.00  0.00           C  
HETATM   45  H   UNL     1       8.057  -2.830   0.198  1.00  0.00           H  
HETATM   46  H   UNL     1       5.293   1.155  -0.864  1.00  0.00           H  
HETATM   47  H   UNL     1       8.068   2.015  -1.478  1.00  0.00           H  
HETATM   48  H   UNL     1       9.017   3.165   0.372  1.00  0.00           H  
HETATM   49  H   UNL     1      10.011   3.029   2.149  1.00  0.00           H  
HETATM   50  H   UNL     1       8.437   0.496   1.942  1.00  0.00           H  
HETATM   51  H   UNL     1       9.806   1.764   3.400  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.153   2.742  -1.245  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.842   2.137  -2.890  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.282   2.333  -2.429  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.803   0.644  -2.727  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.879  -0.277   0.818  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.567  -0.882  -0.827  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.438  -0.473   0.357  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.917   1.216   0.654  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.193   1.599  -1.313  1.00  0.00           H  
HETATM   61  H   UNL     1      12.230   2.158   2.186  1.00  0.00           H  
HETATM   62  H   UNL     1      11.672   0.503   2.602  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.811  -0.139  -1.342  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.712  -0.159   1.135  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.093   1.580   1.164  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.250  -2.166   0.223  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.585  -3.938   0.251  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.186  -3.431   0.376  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.786   0.277   0.263  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.015   2.582   0.359  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.623   3.121   0.484  1.00  0.00           H  
HETATM   72  H   UNL     1      12.066   0.336   0.208  1.00  0.00           H  
HETATM   73  H   UNL     1       3.394   0.876  -0.083  1.00  0.00           H  
HETATM   74  H   UNL     1      11.403   1.975  -0.090  1.00  0.00           H  
HETATM   75  H   UNL     1       3.563   0.507  -1.816  1.00  0.00           H  
HETATM   76  H   UNL     1       5.689  -5.260   0.610  1.00  0.00           H  
HETATM   77  H   UNL     1       6.987  -4.554  -0.383  1.00  0.00           H  
HETATM   78  H   UNL     1       6.871  -4.151   1.346  1.00  0.00           H  
HETATM   79  H   UNL     1       1.564  -0.955  -1.700  1.00  0.00           H  
HETATM   80  H   UNL     1       1.395  -0.586   0.033  1.00  0.00           H  
HETATM   81  H   UNL     1       1.119   1.819  -0.506  1.00  0.00           H  
HETATM   82  H   UNL     1       1.288   1.450  -2.239  1.00  0.00           H  
HETATM   83  H   UNL     1       7.478   2.714   1.182  1.00  0.00           H  
CONECT    1   19   31   49   51                                       
CONECT    2    6   10                                                 
CONECT    3    4   31   72   74                                       
CONECT    4    3   19   41                                            
CONECT    5   41   41                                                 
CONECT    6    2   42   42   43                                       
CONECT    7   43   43   44   46                                       
CONECT    8    9   44   47                                            
CONECT    9    8   19   48   83                                       
CONECT   10    2   76   77   78                                       
CONECT   11   12   13   73   75                                       
CONECT   12   11   43                                                 
CONECT   13   11   14   79   80                                       
CONECT   14   13   15   81   82                                       
CONECT   15   14   16   21                                            
CONECT   16   15   17   52   53                                       
CONECT   17   16   18   54   55                                       
CONECT   18   17   20   22                                            
CONECT   19    1    4    9   50                                       
CONECT   20   18   21   56   57                                       
CONECT   21   15   20   58   59                                       
CONECT   22   18   23   60   63                                       
CONECT   23   22   24   64   65                                       
CONECT   24   23   25   38                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   36                                       
CONECT   28   27   27   29   68                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   32   66                                       
CONECT   31    1    3   61   62                                       
CONECT   32   30   33   33   36                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   35   70                                       
CONECT   35   34   34   37   71                                       
CONECT   36   27   32   37   37                                       
CONECT   37   35   36   36   38                                       
CONECT   38   24   37   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   41   42   44   44                                       
CONECT   41    4    5    5   40                                       
CONECT   42    6    6   40   45                                       
CONECT   43    6    7    7   12                                       
CONECT   44    7    8   40   40                                       
CONECT   45   42                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    1                                                      
CONECT   50   19                                                      
CONECT   51    1                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   30                                                      
CONECT   67   29                                                      
CONECT   68   28                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72    3                                                      
CONECT   73   11                                                      
CONECT   74    3                                                      
CONECT   75   11                                                      
CONECT   76   10                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83    9                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
