COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.061   0.655   0.713  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.087   0.171  -0.140  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.776   1.704   1.567  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.417   1.497  -2.274  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.826   0.734  -0.141  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.517   2.272   1.570  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.356   2.042  -1.452  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.393   0.977   0.477  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.413   0.401  -0.344  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.424   0.664  -1.738  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.537   1.788   0.715  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.346   1.784  -0.078  1.00  0.00           C  
HETATM   13  C   UNL     1       0.438  -0.674  -1.967  1.00  0.00           C  
HETATM   14  C   UNL     1       3.865   0.794   1.103  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.408  -0.437   0.171  1.00  0.00           C  
HETATM   16  C   UNL     1       7.092   3.319  -0.220  1.00  0.00           C  
HETATM   17  C   UNL     1       0.477  -5.978   0.407  1.00  0.00           C  
HETATM   18  C   UNL     1       6.216   3.812   0.934  1.00  0.00           C  
HETATM   19  C   UNL     1       6.212   2.656  -1.281  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.626  -5.003  -0.009  1.00  0.00           C  
HETATM   21  C   UNL     1       1.374  -5.316   1.455  1.00  0.00           C  
HETATM   22  C   UNL     1       5.475   2.625   1.554  1.00  0.00           C  
HETATM   23  C   UNL     1       5.471   1.470  -0.661  1.00  0.00           C  
HETATM   24  C   UNL     1       0.004  -3.741  -0.601  1.00  0.00           C  
HETATM   25  C   UNL     1       2.005  -4.054   0.863  1.00  0.00           C  
HETATM   26  C   UNL     1       4.595   1.962   0.492  1.00  0.00           C  
HETATM   27  C   UNL     1       0.901  -3.079   0.448  1.00  0.00           C  
HETATM   28  C   UNL     1       2.316  -1.081   0.944  1.00  0.00           C  
HETATM   29  C   UNL     1       1.532  -1.817  -0.144  1.00  0.00           C  
HETATM   30  N   UNL     1       0.478  -0.941  -0.663  1.00  0.00           N1+
HETATM   31  N   UNL     1      -0.480   0.104  -2.506  1.00  0.00           N  
HETATM   32  N   UNL     1       1.399  -1.236  -2.789  1.00  0.00           N  
HETATM   33  N   UNL     1       3.026   0.055   0.350  1.00  0.00           N  
HETATM   34  O   UNL     1       4.032   0.519   2.272  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.297   2.344   0.716  1.00  0.00           O  
HETATM   36  H   UNL     1      -9.048   0.216   0.709  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.312  -0.649  -0.806  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.539   2.081   2.232  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.065   0.356  -0.808  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.295   3.092   2.237  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.440   1.702  -3.334  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.119   2.684  -1.868  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.395   0.785   1.540  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.363  -0.662   1.227  1.00  0.00           H  
HETATM   45  H   UNL     1       1.222  -1.346  -3.737  1.00  0.00           H  
HETATM   46  H   UNL     1       2.249  -1.519  -2.418  1.00  0.00           H  
HETATM   47  H   UNL     1       3.872   2.686   0.116  1.00  0.00           H  
HETATM   48  H   UNL     1       2.893   0.275  -0.585  1.00  0.00           H  
HETATM   49  H   UNL     1       7.620   4.164  -0.661  1.00  0.00           H  
HETATM   50  H   UNL     1       7.815   2.595   0.157  1.00  0.00           H  
HETATM   51  H   UNL     1       6.843   4.284   1.690  1.00  0.00           H  
HETATM   52  H   UNL     1       5.493   4.535   0.558  1.00  0.00           H  
HETATM   53  H   UNL     1       5.489   3.380  -1.657  1.00  0.00           H  
HETATM   54  H   UNL     1       6.836   2.305  -2.103  1.00  0.00           H  
HETATM   55  H   UNL     1       0.028  -6.877   0.828  1.00  0.00           H  
HETATM   56  H   UNL     1       1.074  -6.244  -0.466  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.265  -5.474  -0.756  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.223  -4.736   0.863  1.00  0.00           H  
HETATM   59  H   UNL     1       0.777  -5.049   2.327  1.00  0.00           H  
HETATM   60  H   UNL     1       2.160  -6.010   1.751  1.00  0.00           H  
HETATM   61  H   UNL     1       6.198   1.902   1.930  1.00  0.00           H  
HETATM   62  H   UNL     1       4.851   2.976   2.376  1.00  0.00           H  
HETATM   63  H   UNL     1       4.844   0.998  -1.418  1.00  0.00           H  
HETATM   64  H   UNL     1       6.194   0.746  -0.285  1.00  0.00           H  
HETATM   65  H   UNL     1       0.601  -4.007  -1.473  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.782  -3.046  -0.897  1.00  0.00           H  
HETATM   67  H   UNL     1       2.644  -3.582   1.610  1.00  0.00           H  
HETATM   68  H   UNL     1       2.601  -4.320  -0.009  1.00  0.00           H  
HETATM   69  H   UNL     1       0.304  -2.812   1.320  1.00  0.00           H  
HETATM   70  H   UNL     1       2.206  -2.093  -0.955  1.00  0.00           H  
HETATM   71  H   UNL     1       1.628  -0.720   1.707  1.00  0.00           H  
HETATM   72  H   UNL     1       3.036  -1.763   1.397  1.00  0.00           H  
CONECT    1    2    3    3   36                                       
CONECT    2    1    5    5   37                                       
CONECT    3    1    1    6   38                                       
CONECT    4    7    7   10   41                                       
CONECT    5    2    2   11   39                                       
CONECT    6    3   11   11   40                                       
CONECT    7    4    4   12   42                                       
CONECT    8    9   12   12   43                                       
CONECT    9    8   10   15   15                                       
CONECT   10    4    9   31   31                                       
CONECT   11    5    6    6   35                                       
CONECT   12    7    8    8   35                                       
CONECT   13   30   30   31   32                                       
CONECT   14   26   33   34   34                                       
CONECT   15    9    9   30   44                                       
CONECT   16   18   19   49   50                                       
CONECT   17   20   21   55   56                                       
CONECT   18   16   22   51   52                                       
CONECT   19   16   23   53   54                                       
CONECT   20   17   24   57   58                                       
CONECT   21   17   25   59   60                                       
CONECT   22   18   26   61   62                                       
CONECT   23   19   26   63   64                                       
CONECT   24   20   27   65   66                                       
CONECT   25   21   27   67   68                                       
CONECT   26   14   22   23   47                                       
CONECT   27   24   25   29   69                                       
CONECT   28   29   33   71   72                                       
CONECT   29   27   28   30   70                                       
CONECT   30   13   13   15   29                                       
CONECT   31   10   10   13                                            
CONECT   32   13   45   46                                            
CONECT   33   14   28   48                                            
CONECT   34   14   14                                                 
CONECT   35   11   12                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   15                                                      
CONECT   45   32                                                      
CONECT   46   32                                                      
CONECT   47   26                                                      
CONECT   48   33                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
