COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.867   1.215  -1.127  1.00  0.00           C  
HETATM    2  C   UNL     1       4.152   0.391  -1.227  1.00  0.00           C  
HETATM    3  C   UNL     1       4.882   0.417   0.117  1.00  0.00           C  
HETATM    4  C   UNL     1       2.693   0.647   1.300  1.00  0.00           C  
HETATM    5  C   UNL     1       8.524  -0.588   0.143  1.00  0.00           C  
HETATM    6  C   UNL     1       7.284  -2.455  -0.389  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.461   0.827  -0.171  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.531   2.752   0.871  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.738   3.857  -0.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.625   4.794   0.098  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.379   4.813   1.403  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.008   1.590   0.134  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.300  -0.278  -0.625  1.00  0.00           C  
HETATM   14  C   UNL     1       0.801   2.834   0.390  1.00  0.00           C  
HETATM   15  N   UNL     1       0.733   1.411   0.052  1.00  0.00           N  
HETATM   16  C   UNL     1       1.964   0.621  -0.045  1.00  0.00           C  
HETATM   17  C   UNL     1       3.978  -0.177   1.199  1.00  0.00           C  
HETATM   18  C   UNL     1       6.147  -0.395   0.018  1.00  0.00           C  
HETATM   19  C   UNL     1       7.385   0.189   0.244  1.00  0.00           C  
HETATM   20  N   UNL     1       8.443  -1.867  -0.168  1.00  0.00           N  
HETATM   21  C   UNL     1       6.102  -1.743  -0.301  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.514  -0.267  -0.698  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.597   1.456   0.192  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.891   5.852  -0.941  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.838   0.872  -0.082  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.234   1.013  -0.135  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.135  -1.002  -0.837  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.202  -2.270  -1.320  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.999  -3.295  -0.451  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.845  -3.037   0.904  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.639  -4.080   1.786  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.585  -5.381   1.319  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.737  -5.641  -0.031  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.950  -4.602  -0.915  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.903  -0.426  -0.568  1.00  0.00           C  
HETATM   36  H   UNL     1       3.115   2.245  -0.868  1.00  0.00           H  
HETATM   37  H   UNL     1       2.348   1.197  -2.085  1.00  0.00           H  
HETATM   38  H   UNL     1       3.904  -0.638  -1.486  1.00  0.00           H  
HETATM   39  H   UNL     1       4.796   0.814  -1.998  1.00  0.00           H  
HETATM   40  H   UNL     1       5.130   1.446   0.376  1.00  0.00           H  
HETATM   41  H   UNL     1       2.941   1.676   1.559  1.00  0.00           H  
HETATM   42  H   UNL     1       2.049   0.224   2.071  1.00  0.00           H  
HETATM   43  H   UNL     1       9.491  -0.141   0.317  1.00  0.00           H  
HETATM   44  H   UNL     1       7.257  -3.505  -0.641  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.554   2.867   1.341  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.309   2.803   1.633  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.156   3.877  -1.042  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.833   5.416   2.129  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.368   5.242   1.245  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.480   3.795   1.779  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.959   2.599   0.517  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.260  -0.726  -0.834  1.00  0.00           H  
HETATM   53  H   UNL     1       0.847   2.949   1.473  1.00  0.00           H  
HETATM   54  H   UNL     1       1.692   3.273  -0.060  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.085   3.341   0.009  1.00  0.00           H  
HETATM   56  H   UNL     1       1.715  -0.408  -0.303  1.00  0.00           H  
HETATM   57  H   UNL     1       3.730  -1.207   0.940  1.00  0.00           H  
HETATM   58  H   UNL     1       4.497  -0.159   2.157  1.00  0.00           H  
HETATM   59  H   UNL     1       7.457   1.236   0.495  1.00  0.00           H  
HETATM   60  H   UNL     1       5.156  -2.231  -0.484  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.687   5.516  -1.606  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.194   6.776  -0.450  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.985   6.028  -1.520  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.142   1.571   0.038  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.887  -2.021   1.269  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.519  -3.880   2.840  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.424  -6.195   2.010  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.694  -6.657  -0.393  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.069  -4.805  -1.969  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.995  -0.986  -0.738  1.00  0.00           H  
CONECT    1   16    2   36   37                                       
CONECT    2    3    1   38   39                                       
CONECT    3   17   18    2   40                                       
CONECT    4   17   16   41   42                                       
CONECT    5   19   19   20   43                                       
CONECT    6   21   20   20   44                                       
CONECT    7   23   15   22   22                                       
CONECT    8   23    9   45   46                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9   24   11                                       
CONECT   11   10   48   49   50                                       
CONECT   12   25   26   26   51                                       
CONECT   13   27   27   26   52                                       
CONECT   14   15   53   54   55                                       
CONECT   15   14    7   16                                            
CONECT   16    4   15    1   56                                       
CONECT   17    4    3   57   58                                       
CONECT   18    3   21   21   19                                       
CONECT   19   18    5    5   59                                       
CONECT   20    6    6    5                                            
CONECT   21   18   18    6   60                                       
CONECT   22    7    7                                                 
CONECT   23    8    7   25                                            
CONECT   24   10   61   62   63                                       
CONECT   25   23   35   35   12                                       
CONECT   26   12   12   13   64                                       
CONECT   27   35   28   13   13                                       
CONECT   28   29   27                                                 
CONECT   29   34   34   30   28                                       
CONECT   30   31   31   29   65                                       
CONECT   31   32   30   30   66                                       
CONECT   32   33   33   31   67                                       
CONECT   33   32   32   34   68                                       
CONECT   34   33   29   29   69                                       
CONECT   35   25   25   27   70                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
