COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.839   0.377  -0.057  1.00  0.00           C  
HETATM    2  C   UNL     1       6.872  -0.802  -0.700  1.00  0.00           C  
HETATM    3  C   UNL     1       7.960   0.236  -0.611  1.00  0.00           C  
HETATM    4  C   UNL     1       7.457  -2.181  -0.389  1.00  0.00           C  
HETATM    5  C   UNL     1       6.383  -3.250  -0.600  1.00  0.00           C  
HETATM    6  C   UNL     1       6.959  -4.609  -0.294  1.00  0.00           C  
HETATM    7  C   UNL     1       3.775   0.693   0.920  1.00  0.00           C  
HETATM    8  C   UNL     1       2.746   1.595   0.581  1.00  0.00           C  
HETATM    9  C   UNL     1       2.723   2.229  -0.749  1.00  0.00           C  
HETATM   10  C   UNL     1       1.746   1.883   1.518  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.318   3.069   2.180  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.311   4.067   1.579  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.945   4.311  -0.157  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.607   3.560  -1.315  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.055   1.626  -1.630  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.837   0.490  -1.098  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.885   0.254   0.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.616  -0.808   0.767  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.302  -1.639  -0.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.259  -1.411  -1.466  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.536  -0.349  -1.968  1.00  0.00           C  
HETATM   22  C   UNL     1       1.778   1.278   2.772  1.00  0.00           C  
HETATM   23  C   UNL     1       2.789   0.398   3.095  1.00  0.00           C  
HETATM   24  C   UNL     1       3.782   0.099   2.176  1.00  0.00           C  
HETATM   25  N   UNL     1       5.818  -0.489   0.269  1.00  0.00           N  
HETATM   26  N   UNL     1       9.039   0.152  -1.414  1.00  0.00           N  
HETATM   27  N   UNL     1       0.727   2.770   1.198  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.382   2.434  -0.788  1.00  0.00           N  
HETATM   29  N   UNL     1      -9.766  -2.440   0.825  1.00  0.00           N  
HETATM   30  O   UNL     1       4.828   0.896  -1.157  1.00  0.00           O  
HETATM   31  O   UNL     1       7.865   1.148   0.183  1.00  0.00           O  
HETATM   32  O   UNL     1       6.193  -5.705  -0.411  1.00  0.00           O  
HETATM   33  O   UNL     1       8.111  -4.712   0.057  1.00  0.00           O  
HETATM   34  O   UNL     1       3.290   3.288  -0.927  1.00  0.00           O  
HETATM   35  O   UNL     1       2.072   1.633  -1.768  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.990   3.459   0.478  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.342  -3.936  -0.525  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.672  -3.308   1.799  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.020   1.832  -2.828  1.00  0.00           O  
HETATM   40  S   UNL     1      -8.233  -2.993   0.533  1.00  0.00           S  
HETATM   41  H   UNL     1       6.452  -0.804  -1.706  1.00  0.00           H  
HETATM   42  H   UNL     1       8.299  -2.377  -1.053  1.00  0.00           H  
HETATM   43  H   UNL     1       7.797  -2.207   0.646  1.00  0.00           H  
HETATM   44  H   UNL     1       5.541  -3.055   0.064  1.00  0.00           H  
HETATM   45  H   UNL     1       6.043  -3.225  -1.635  1.00  0.00           H  
HETATM   46  H   UNL     1       0.135   3.500   3.072  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.842   2.151   2.445  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.038   4.358   2.338  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.775   4.950   1.233  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.443   5.199  -0.540  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.706   4.607   0.566  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.270   4.236  -1.854  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.839   3.187  -1.992  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.350   0.902   0.956  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.653  -0.991   1.830  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.796  -2.063  -2.138  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.507  -0.169  -3.033  1.00  0.00           H  
HETATM   58  H   UNL     1       1.007   1.500   3.495  1.00  0.00           H  
HETATM   59  H   UNL     1       2.804  -0.065   4.070  1.00  0.00           H  
HETATM   60  H   UNL     1       4.566  -0.596   2.439  1.00  0.00           H  
HETATM   61  H   UNL     1       5.825  -0.906   1.145  1.00  0.00           H  
HETATM   62  H   UNL     1       9.116  -0.577  -2.049  1.00  0.00           H  
HETATM   63  H   UNL     1       9.740   0.821  -1.357  1.00  0.00           H  
HETATM   64  H   UNL     1       0.706   3.190   0.324  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.410   2.270   0.168  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.522  -3.044   0.754  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.909  -1.512   1.067  1.00  0.00           H  
HETATM   68  H   UNL     1       6.607  -6.554  -0.204  1.00  0.00           H  
HETATM   69  H   UNL     1       2.085   2.087  -2.622  1.00  0.00           H  
CONECT    1   30   30    7   25                                       
CONECT    2    3   25    4   41                                       
CONECT    3   26   31   31    2                                       
CONECT    4    2    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5   33   33   32                                       
CONECT    7    8    1   24   24                                       
CONECT    8    9   10   10    7                                       
CONECT    9   34   34   35    8                                       
CONECT   10   27    8    8   22                                       
CONECT   11   27   12   46   47                                       
CONECT   12   11   36   48   49                                       
CONECT   13   14   36   50   51                                       
CONECT   14   28   13   52   53                                       
CONECT   15   28   39   39   16                                       
CONECT   16   15   21   21   17                                       
CONECT   17   16   18   18   54                                       
CONECT   18   17   17   19   55                                       
CONECT   19   20   20   18   40                                       
CONECT   20   21   19   19   56                                       
CONECT   21   16   16   20   57                                       
CONECT   22   10   23   23   58                                       
CONECT   23   22   22   24   59                                       
CONECT   24    7    7   23   60                                       
CONECT   25    1    2   61                                            
CONECT   26    3   62   63                                            
CONECT   27   11   10   64                                            
CONECT   28   14   15   65                                            
CONECT   29   40   66   67                                            
CONECT   30    1    1                                                 
CONECT   31    3    3                                                 
CONECT   32    6   68                                                 
CONECT   33    6    6                                                 
CONECT   34    9    9                                                 
CONECT   35    9   69                                                 
CONECT   36   13   12                                                 
CONECT   37   40   40                                                 
CONECT   38   40   40                                                 
CONECT   39   15   15                                                 
CONECT   40   19   29   38   38                                       
CONECT   40   37   37                                                 
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
