COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.585  -4.719  -2.256  1.00  0.00           N  
HETATM    2  C   UNL     1       3.827  -3.846  -1.079  1.00  0.00           C  
HETATM    3  C   UNL     1       2.813  -2.733  -1.033  1.00  0.00           C  
HETATM    4  O   UNL     1       2.184  -2.444  -2.029  1.00  0.00           O  
HETATM    5  C   UNL     1       5.244  -3.275  -1.303  1.00  0.00           C  
HETATM    6  C   UNL     1       5.944  -4.290  -2.230  1.00  0.00           C  
HETATM    7  C   UNL     1       4.891  -5.389  -2.488  1.00  0.00           C  
HETATM    8  N   UNL     1       2.604  -2.059   0.116  1.00  0.00           N  
HETATM    9  C   UNL     1       1.617  -0.976   0.161  1.00  0.00           C  
HETATM   10  C   UNL     1       2.009   0.112  -0.841  1.00  0.00           C  
HETATM   11  C   UNL     1       3.310   0.741  -0.417  1.00  0.00           C  
HETATM   12  C   UNL     1       4.509   0.220  -0.867  1.00  0.00           C  
HETATM   13  C   UNL     1       3.306   1.843   0.418  1.00  0.00           C  
HETATM   14  C   UNL     1       5.703   0.797  -0.478  1.00  0.00           C  
HETATM   15  C   UNL     1       4.499   2.421   0.807  1.00  0.00           C  
HETATM   16  C   UNL     1       5.699   1.896   0.362  1.00  0.00           C  
HETATM   17  I   UNL     1       7.509   2.770   0.952  1.00  0.00           I  
HETATM   18  C   UNL     1       0.258  -1.521  -0.194  1.00  0.00           C  
HETATM   19  O   UNL     1       0.163  -2.569  -0.798  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.853  -0.844   0.159  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.174  -1.373  -0.186  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.619  -2.371   0.885  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.426  -3.735   0.974  1.00  0.00           S  
HETATM   24  C   UNL     1      -2.114  -4.795   2.275  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.165  -0.240  -0.260  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.803   0.897  -0.045  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.454  -0.491  -0.564  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.438   0.594  -0.534  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.455   1.304  -1.889  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.403   2.504  -1.824  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.533   3.127  -3.215  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.843   3.543  -0.851  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.481   4.326  -3.150  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.790   4.743  -0.785  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.921   5.366  -2.177  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.825   0.016  -0.244  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.176  -0.918  -1.267  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.808  -0.684   1.090  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.981  -1.878   1.148  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.602   0.019   2.215  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.599  -0.720   3.464  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.177  -1.192   3.774  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.094   0.185   4.594  1.00  0.00           C  
HETATM   44  H   UNL     1       2.862  -5.395  -2.062  1.00  0.00           H  
HETATM   45  H   UNL     1       3.792  -4.430  -0.159  1.00  0.00           H  
HETATM   46  H   UNL     1       5.186  -2.299  -1.785  1.00  0.00           H  
HETATM   47  H   UNL     1       5.776  -3.199  -0.355  1.00  0.00           H  
HETATM   48  H   UNL     1       6.229  -3.812  -3.167  1.00  0.00           H  
HETATM   49  H   UNL     1       6.819  -4.712  -1.737  1.00  0.00           H  
HETATM   50  H   UNL     1       5.024  -6.215  -1.789  1.00  0.00           H  
HETATM   51  H   UNL     1       4.958  -5.746  -3.516  1.00  0.00           H  
HETATM   52  H   UNL     1       3.107  -2.290   0.912  1.00  0.00           H  
HETATM   53  H   UNL     1       1.589  -0.553   1.164  1.00  0.00           H  
HETATM   54  H   UNL     1       2.124  -0.330  -1.831  1.00  0.00           H  
HETATM   55  H   UNL     1       1.230   0.874  -0.872  1.00  0.00           H  
HETATM   56  H   UNL     1       4.512  -0.638  -1.523  1.00  0.00           H  
HETATM   57  H   UNL     1       2.369   2.253   0.766  1.00  0.00           H  
HETATM   58  H   UNL     1       6.640   0.389  -0.829  1.00  0.00           H  
HETATM   59  H   UNL     1       4.496   3.281   1.460  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.776  -0.006   0.642  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.124  -1.875  -1.152  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.670  -1.869   1.851  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.603  -2.765   0.628  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.469  -5.661   2.417  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.178  -4.232   3.207  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.111  -5.128   1.984  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.730  -1.390  -0.803  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.171   1.306   0.246  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.450   1.648  -2.132  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.798   0.612  -2.658  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.383   2.175  -1.480  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.553   3.456  -3.560  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.932   2.386  -3.909  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.750   3.099   0.141  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.863   3.873  -1.195  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.574   4.770  -4.141  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.461   3.997  -2.806  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.771   4.414  -0.441  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.391   5.483  -0.092  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.940   5.695  -2.521  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.596   6.220  -2.130  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.557   0.823  -0.222  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.566  -1.664  -1.344  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.257  -1.585   3.376  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.174  -1.747   4.712  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.824  -1.837   2.969  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.518  -0.328   3.862  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.107   0.521   4.373  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.092  -0.371   5.532  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.436   1.049   4.682  1.00  0.00           H  
CONECT    1    2    7   44                                            
CONECT    2    1    3    5   45                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   46   47                                       
CONECT    6    5    7   48   49                                       
CONECT    7    1    6   50   51                                       
CONECT    8    9   52    3                                            
CONECT    9    8   10   18   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   14   56                                       
CONECT   13   11   15   15   57                                       
CONECT   14   12   16   16   58                                       
CONECT   15   13   13   16   59                                       
CONECT   16   14   14   15   17                                       
CONECT   17   16                                                      
CONECT   18    9   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   21   60   18                                            
CONECT   21   20   22   25   61                                       
CONECT   22   21   23   62   63                                       
CONECT   23   22   24                                                 
CONECT   24   23   64   65   66                                       
CONECT   25   21   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   28   67   25                                            
CONECT   28   27   29   36   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   32   71                                       
CONECT   31   30   33   72   73                                       
CONECT   32   30   34   74   75                                       
CONECT   33   31   35   76   77                                       
CONECT   34   32   35   78   79                                       
CONECT   35   33   34   80   81                                       
CONECT   36   28   37   38   82                                       
CONECT   37   36   83                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41                                                 
CONECT   41   40   42   43   84                                       
CONECT   42   41   85   86   87                                       
CONECT   43   41   88   89   90                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
