COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.523  -1.569   1.829  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.234  -1.633   0.328  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.865  -2.109   0.114  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.475  -3.439   0.014  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.036  -4.720   0.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.184  -5.726  -0.104  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.550  -5.120  -0.321  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.107  -3.455  -0.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.654  -2.124  -0.207  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.749  -1.311  -0.027  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.731   0.153   0.012  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.748   0.766   0.278  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.590   0.820  -0.248  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.560   2.215  -0.160  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.726   2.949  -0.337  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.695   4.326  -0.244  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.504   4.975   0.026  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.341   4.248   0.203  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.366   2.871   0.111  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.099   2.079   0.310  1.00  0.00           C  
HETATM   21  O   UNL     1       0.558   1.907  -0.947  1.00  0.00           O  
HETATM   22  C   UNL     1       1.725   1.209  -0.944  1.00  0.00           C  
HETATM   23  C   UNL     1       2.414   1.005  -2.130  1.00  0.00           C  
HETATM   24  C   UNL     1       3.599   0.295  -2.127  1.00  0.00           C  
HETATM   25  C   UNL     1       4.100  -0.213  -0.938  1.00  0.00           C  
HETATM   26  C   UNL     1       3.411  -0.009   0.249  1.00  0.00           C  
HETATM   27  C   UNL     1       2.228   0.705   0.246  1.00  0.00           C  
HETATM   28  O   UNL     1       5.267  -0.911  -0.934  1.00  0.00           O  
HETATM   29  C   UNL     1       5.723  -1.406   0.326  1.00  0.00           C  
HETATM   30  C   UNL     1       7.041  -2.159   0.132  1.00  0.00           C  
HETATM   31  C   UNL     1       7.525  -2.750   1.476  1.00  0.00           C  
HETATM   32  C   UNL     1       9.058  -2.531   1.418  1.00  0.00           C  
HETATM   33  N   UNL     1       9.187  -1.210   0.752  1.00  0.00           N  
HETATM   34  C   UNL     1       8.153  -1.188  -0.305  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.045   4.960   0.496  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.276   6.370   0.540  1.00  0.00           O  
HETATM   37  C   UNL     1       0.896   7.141   0.813  1.00  0.00           C  
HETATM   38  H   UNL     1      -7.541  -1.215   1.988  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.411  -2.562   2.264  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.821  -0.883   2.305  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.935  -2.319  -0.148  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.345  -0.640  -0.106  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.093  -4.880   0.202  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.457  -6.771  -0.098  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.633  -1.799  -0.344  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.789   0.333  -0.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.656   2.442  -0.548  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.601   4.897  -0.381  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.482   6.053   0.098  1.00  0.00           H  
HETATM   50  H   UNL     1       0.560   2.613   0.994  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.343   1.102   0.729  1.00  0.00           H  
HETATM   52  H   UNL     1       2.024   1.400  -3.056  1.00  0.00           H  
HETATM   53  H   UNL     1       4.136   0.136  -3.051  1.00  0.00           H  
HETATM   54  H   UNL     1       3.800  -0.405   1.175  1.00  0.00           H  
HETATM   55  H   UNL     1       1.694   0.868   1.170  1.00  0.00           H  
HETATM   56  H   UNL     1       5.880  -0.571   1.009  1.00  0.00           H  
HETATM   57  H   UNL     1       4.977  -2.081   0.744  1.00  0.00           H  
HETATM   58  H   UNL     1       6.917  -2.951  -0.608  1.00  0.00           H  
HETATM   59  H   UNL     1       7.089  -2.207   2.315  1.00  0.00           H  
HETATM   60  H   UNL     1       7.289  -3.812   1.538  1.00  0.00           H  
HETATM   61  H   UNL     1       9.479  -2.498   2.423  1.00  0.00           H  
HETATM   62  H   UNL     1       9.535  -3.310   0.825  1.00  0.00           H  
HETATM   63  H   UNL     1       9.048  -0.458   1.409  1.00  0.00           H  
HETATM   64  H   UNL     1       8.582  -1.517  -1.252  1.00  0.00           H  
HETATM   65  H   UNL     1       7.748  -0.182  -0.407  1.00  0.00           H  
HETATM   66  H   UNL     1       0.344   4.625   1.457  1.00  0.00           H  
HETATM   67  H   UNL     1       0.678   4.734  -0.288  1.00  0.00           H  
HETATM   68  H   UNL     1       0.637   8.200   0.830  1.00  0.00           H  
HETATM   69  H   UNL     1       1.304   6.852   1.781  1.00  0.00           H  
HETATM   70  H   UNL     1       1.639   6.961   0.036  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    2   10    4                                            
CONECT    4    3    8    8    5                                       
CONECT    5    4    6    6   43                                       
CONECT    6    5    5    7   44                                       
CONECT    7    8    6                                                 
CONECT    8    9    4    4    7                                       
CONECT    9   10   10    8   45                                       
CONECT   10   11    3    9    9                                       
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   46                                            
CONECT   14   15   15   19   13                                       
CONECT   15   16   14   14   47                                       
CONECT   16   17   17   15   48                                       
CONECT   17   16   16   18   49                                       
CONECT   18   17   35   19   19                                       
CONECT   19   18   18   14   20                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22                                                 
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   52                                       
CONECT   24   23   23   25   53                                       
CONECT   25   26   26   24   28                                       
CONECT   26   27   25   25   54                                       
CONECT   27   22   22   26   55                                       
CONECT   28   25   29                                                 
CONECT   29   28   30   56   57                                       
CONECT   30   29   31   34   58                                       
CONECT   31   30   32   59   60                                       
CONECT   32   31   33   61   62                                       
CONECT   33   32   34   63                                            
CONECT   34   30   33   64   65                                       
CONECT   35   18   36   66   67                                       
CONECT   36   35   37                                                 
CONECT   37   36   68   69   70                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
