COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.241   1.418   3.092  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.960   2.036   0.813  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.278   2.462   0.824  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.839   3.005  -0.317  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.087   3.125  -1.472  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.771   2.703  -1.490  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.202   2.157  -0.349  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.443   0.419  -0.616  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.069   0.360  -0.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.605   1.661  -0.262  1.00  0.00           C  
HETATM   11  C   UNL     1       1.115  -0.366  -0.579  1.00  0.00           C  
HETATM   12  C   UNL     1       3.373  -1.199  -0.501  1.00  0.00           C  
HETATM   13  C   UNL     1       4.322  -1.864  -1.266  1.00  0.00           C  
HETATM   14  C   UNL     1       5.667  -1.666  -1.025  1.00  0.00           C  
HETATM   15  C   UNL     1       5.122  -0.134   0.749  1.00  0.00           C  
HETATM   16  C   UNL     1       7.636   0.350   1.332  1.00  0.00           C  
HETATM   17  C   UNL     1      11.257   1.146   0.663  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.794   2.516  -0.152  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.282  -0.660  -0.882  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.711  -0.894  -2.184  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.544  -1.970  -2.434  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.920  -2.778  -1.369  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.456  -2.487  -0.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.860  -3.361   1.057  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.383  -3.343   1.202  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.419  -4.699   0.821  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.405   1.506   1.936  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.868   1.728  -0.366  1.00  0.00           N  
HETATM   29  C   UNL     1       0.767   1.874  -0.147  1.00  0.00           C  
HETATM   30  N   UNL     1       1.584   0.847  -0.310  1.00  0.00           N  
HETATM   31  N   UNL     1       2.009  -1.405  -0.742  1.00  0.00           N  
HETATM   32  C   UNL     1       6.071  -0.800  -0.016  1.00  0.00           C  
HETATM   33  C   UNL     1       3.777  -0.333   0.507  1.00  0.00           C  
HETATM   34  N   UNL     1       7.434  -0.599   0.228  1.00  0.00           N  
HETATM   35  C   UNL     1       9.134   0.482   1.620  1.00  0.00           C  
HETATM   36  N   UNL     1       9.826   0.935   0.406  1.00  0.00           N  
HETATM   37  C   UNL     1       9.623  -0.014  -0.698  1.00  0.00           C  
HETATM   38  C   UNL     1       8.126  -0.146  -0.986  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.182  -0.613  -0.703  1.00  0.00           N  
HETATM   40  O   UNL     1      -1.808   3.708   0.092  1.00  0.00           O  
HETATM   41  N   UNL     1      -3.658  -1.457   0.106  1.00  0.00           N  
HETATM   42  C   UNL     1      -4.219  -2.832   2.342  1.00  0.00           C  
HETATM   43  H   UNL     1      -5.577   2.416   3.375  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.105   0.793   2.870  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.677   0.979   3.915  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.868   2.369   1.724  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.866   3.336  -0.307  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.529   3.549  -2.361  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.186   2.798  -2.394  1.00  0.00           H  
HETATM   50  H   UNL     1       4.008  -2.538  -2.049  1.00  0.00           H  
HETATM   51  H   UNL     1       6.405  -2.184  -1.619  1.00  0.00           H  
HETATM   52  H   UNL     1       5.436   0.539   1.533  1.00  0.00           H  
HETATM   53  H   UNL     1       7.233   1.324   1.053  1.00  0.00           H  
HETATM   54  H   UNL     1       7.125  -0.013   2.223  1.00  0.00           H  
HETATM   55  H   UNL     1      11.708   0.211   0.994  1.00  0.00           H  
HETATM   56  H   UNL     1      11.745   1.481  -0.252  1.00  0.00           H  
HETATM   57  H   UNL     1      11.379   1.903   1.438  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.400  -0.245  -2.988  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.894  -2.177  -3.434  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.570  -3.626  -1.531  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.840  -3.720   0.287  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.675  -3.975   2.041  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.719  -2.322   1.382  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.787  -5.099   0.021  1.00  0.00           H  
HETATM   65  H   UNL     1       1.155   2.858   0.071  1.00  0.00           H  
HETATM   66  H   UNL     1       1.692  -2.277  -1.023  1.00  0.00           H  
HETATM   67  H   UNL     1       3.040   0.185   1.102  1.00  0.00           H  
HETATM   68  H   UNL     1       9.288   1.207   2.419  1.00  0.00           H  
HETATM   69  H   UNL     1       9.531  -0.486   1.926  1.00  0.00           H  
HETATM   70  H   UNL     1      10.135   0.350  -1.589  1.00  0.00           H  
HETATM   71  H   UNL     1      10.027  -0.988  -0.419  1.00  0.00           H  
HETATM   72  H   UNL     1       7.972  -0.871  -1.785  1.00  0.00           H  
HETATM   73  H   UNL     1       7.728   0.822  -1.291  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.556  -1.811   2.522  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.512  -3.464   3.181  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.134  -2.844   2.239  1.00  0.00           H  
CONECT    1   27   43   44   45                                       
CONECT    2   27    7    7    3                                       
CONECT    3    2    4    4   46                                       
CONECT    4    3    3    5   47                                       
CONECT    5    6    6    4   48                                       
CONECT    6    7    5    5   49                                       
CONECT    7   28    2    2    6                                       
CONECT    8    9   28   19                                            
CONECT    9   10   10   39    8                                       
CONECT   10   29   18    9    9                                       
CONECT   11   30   31   39   39                                       
CONECT   12   31   33   33   13                                       
CONECT   13   12   14   14   50                                       
CONECT   14   13   13   32   51                                       
CONECT   15   33   32   32   52                                       
CONECT   16   34   35   53   54                                       
CONECT   17   36   55   56   57                                       
CONECT   18   40   40   10   28                                       
CONECT   19    8   41   41   20                                       
CONECT   20   19   21   21   58                                       
CONECT   21   20   20   22   59                                       
CONECT   22   23   23   21   60                                       
CONECT   23   41   24   22   22                                       
CONECT   24   25   23   42   26                                       
CONECT   25   24   61   62   63                                       
CONECT   26   24   64                                                 
CONECT   27    1    2                                                 
CONECT   28   18    7    8                                            
CONECT   29   30   30   10   65                                       
CONECT   30   29   29   11                                            
CONECT   31   11   12   66                                            
CONECT   32   15   15   14   34                                       
CONECT   33   12   12   15   67                                       
CONECT   34   32   16   38                                            
CONECT   35   16   36   68   69                                       
CONECT   36   35   37   17                                            
CONECT   37   38   36   70   71                                       
CONECT   38   34   37   72   73                                       
CONECT   39   11   11    9                                            
CONECT   40   18   18                                                 
CONECT   41   19   19   23                                            
CONECT   42   24   74   75   76                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
