COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.079  -0.495   0.416  1.00  0.00           O  
HETATM    2  C   UNL     1      17.687   1.547   0.920  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.952   2.445  -1.479  1.00  0.00           O  
HETATM    4  C   UNL     1      16.282   1.533   1.526  1.00  0.00           C  
HETATM    5  C   UNL     1      15.275   1.077   0.469  1.00  0.00           C  
HETATM    6  C   UNL     1      13.870   1.063   1.074  1.00  0.00           C  
HETATM    7  O   UNL     1      -9.060   4.349  -0.083  1.00  0.00           O  
HETATM    8  C   UNL     1      12.863   0.606   0.017  1.00  0.00           C  
HETATM    9  C   UNL     1      11.458   0.592   0.623  1.00  0.00           C  
HETATM   10  C   UNL     1      10.451   0.136  -0.435  1.00  0.00           C  
HETATM   11  C   UNL     1       9.047   0.122   0.171  1.00  0.00           C  
HETATM   12  C   UNL     1       8.040  -0.335  -0.887  1.00  0.00           C  
HETATM   13  C   UNL     1       6.635  -0.349  -0.281  1.00  0.00           C  
HETATM   14  C   UNL     1       5.628  -0.805  -1.339  1.00  0.00           C  
HETATM   15  C   UNL     1       4.244  -0.819  -0.742  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.392   0.438   0.339  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.194  -0.246   1.693  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.948   0.322   2.375  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.418   0.007   2.576  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.019  -1.752   1.483  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.899  -1.995   0.505  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.551  -1.859  -0.130  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.217  -1.480   0.516  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.109  -1.628  -0.495  1.00  0.00           C  
HETATM   25  C   UNL     1       0.240  -1.492  -1.130  1.00  0.00           C  
HETATM   26  C   UNL     1       1.574  -1.113  -0.484  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.628  -1.714   0.852  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.837  -1.347  -0.147  1.00  0.00           N  
HETATM   29  O   UNL     1      -8.556   1.844   0.535  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.231  -2.305   0.967  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.142  -2.444  -0.596  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.361  -2.001  -1.621  1.00  0.00           O  
HETATM   33  P   UNL     1      -8.786   2.878  -0.677  1.00  0.00           P  
HETATM   34  S   UNL     1       2.905  -1.291  -1.698  1.00  0.00           S  
HETATM   35  O   UNL     1      -7.475   2.911  -1.611  1.00  0.00           O  
HETATM   36  H   UNL     1      18.404   1.872   1.674  1.00  0.00           H  
HETATM   37  H   UNL     1      17.946   0.544   0.581  1.00  0.00           H  
HETATM   38  H   UNL     1      17.711   2.235   0.075  1.00  0.00           H  
HETATM   39  H   UNL     1      16.258   0.846   2.372  1.00  0.00           H  
HETATM   40  H   UNL     1      16.023   2.536   1.866  1.00  0.00           H  
HETATM   41  H   UNL     1      15.299   1.764  -0.377  1.00  0.00           H  
HETATM   42  H   UNL     1      15.534   0.074   0.129  1.00  0.00           H  
HETATM   43  H   UNL     1      13.846   0.375   1.920  1.00  0.00           H  
HETATM   44  H   UNL     1      13.611   2.066   1.414  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.208   5.025  -0.759  1.00  0.00           H  
HETATM   46  H   UNL     1      12.888   1.294  -0.829  1.00  0.00           H  
HETATM   47  H   UNL     1      13.123  -0.397  -0.323  1.00  0.00           H  
HETATM   48  H   UNL     1      11.434  -0.095   1.468  1.00  0.00           H  
HETATM   49  H   UNL     1      11.199   1.595   0.962  1.00  0.00           H  
HETATM   50  H   UNL     1      10.476   0.823  -1.281  1.00  0.00           H  
HETATM   51  H   UNL     1      10.711  -0.867  -0.775  1.00  0.00           H  
HETATM   52  H   UNL     1       9.022  -0.566   1.016  1.00  0.00           H  
HETATM   53  H   UNL     1       8.787   1.124   0.510  1.00  0.00           H  
HETATM   54  H   UNL     1       8.064   0.352  -1.732  1.00  0.00           H  
HETATM   55  H   UNL     1       8.299  -1.338  -1.226  1.00  0.00           H  
HETATM   56  H   UNL     1       6.610  -1.036   0.564  1.00  0.00           H  
HETATM   57  H   UNL     1       6.376   0.654   0.058  1.00  0.00           H  
HETATM   58  H   UNL     1       5.652  -0.118  -2.184  1.00  0.00           H  
HETATM   59  H   UNL     1       5.887  -1.808  -1.678  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.520   0.258  -0.290  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.280   0.034  -0.146  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.117   1.369   2.626  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.742  -0.242   3.285  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.096   0.244   1.699  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.292  -0.469   2.130  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.244  -0.411   3.567  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.591   1.080   2.659  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.780  -2.226   2.435  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.743  -1.202  -0.979  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.508  -2.892  -0.473  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.260  -0.446   0.859  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.024  -2.136   1.365  1.00  0.00           H  
HETATM   73  H   UNL     1       0.048  -0.836  -1.979  1.00  0.00           H  
HETATM   74  H   UNL     1       0.283  -2.526  -1.472  1.00  0.00           H  
HETATM   75  H   UNL     1       1.531  -0.079  -0.141  1.00  0.00           H  
HETATM   76  H   UNL     1       1.766  -1.770   0.365  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.426  -1.416   1.753  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.635  -1.050   0.754  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.506  -1.928   0.119  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.671   3.187  -1.150  1.00  0.00           H  
CONECT    1   15   15                                                 
CONECT    2    4   36   37   38                                       
CONECT    3   33   33                                                 
CONECT    4    2    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    8   43   44                                       
CONECT    7   33   45                                                 
CONECT    8    6    9   46   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12   13   11   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   15   13   58   59                                       
CONECT   15   34   14    1    1                                       
CONECT   16   29   17   60   61                                       
CONECT   17   16   18   20   19                                       
CONECT   18   17   62   63   64                                       
CONECT   19   17   65   66   67                                       
CONECT   20   30   17   21   68                                       
CONECT   21   20   31   31   27                                       
CONECT   22   27   23   69   70                                       
CONECT   23   22   24   71   72                                       
CONECT   24   32   32   28   23                                       
CONECT   25   28   26   73   74                                       
CONECT   26   25   34   75   76                                       
CONECT   27   21   22   77                                            
CONECT   28   25   24   78                                            
CONECT   29   33   16                                                 
CONECT   30   20   79                                                 
CONECT   31   21   21                                                 
CONECT   32   24   24                                                 
CONECT   33    3    3    7   29                                       
CONECT   33   35                                                      
CONECT   34   26   15                                                 
CONECT   35   33   80                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   35                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
