COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.139  -4.350  -0.336  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.737  -3.288  -0.296  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.230  -1.950  -0.245  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.849  -1.712  -0.118  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.386  -0.473  -0.073  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.193   0.575  -0.142  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.657   1.851  -0.085  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.265   1.860  -0.557  1.00  0.00           C  
HETATM    9  C   UNL     1       0.267   3.296  -0.533  1.00  0.00           C  
HETATM   10  O   UNL     1       0.140   3.825   0.789  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.203   3.832   1.280  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.750   2.402   1.275  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.575   0.415  -0.266  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.455   1.635  -0.329  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.749   1.284  -0.818  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.344   0.189  -0.113  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.581  -1.089  -0.467  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.101  -0.853  -0.327  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.731  -3.071  -0.018  1.00  0.00           S  
HETATM   20  C   UNL     1       0.836  -2.178   0.127  1.00  0.00           C  
HETATM   21  C   UNL     1       1.987  -3.181   0.231  1.00  0.00           C  
HETATM   22  C   UNL     1       3.292  -2.437   0.352  1.00  0.00           C  
HETATM   23  C   UNL     1       3.780  -2.099   1.600  1.00  0.00           C  
HETATM   24  C   UNL     1       4.976  -1.417   1.715  1.00  0.00           C  
HETATM   25  C   UNL     1       5.688  -1.071   0.573  1.00  0.00           C  
HETATM   26  C   UNL     1       5.196  -1.413  -0.679  1.00  0.00           C  
HETATM   27  C   UNL     1       4.002  -2.099  -0.786  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.071   4.713   0.380  1.00  0.00           C  
HETATM   29  C   UNL     1       1.740   3.301  -0.947  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.255   0.440   1.394  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.811   0.048  -0.525  1.00  0.00           C  
HETATM   32  N   UNL     1       6.899  -0.380   0.686  1.00  0.00           N  
HETATM   33  C   UNL     1       7.244   0.531  -0.245  1.00  0.00           C  
HETATM   34  O   UNL     1       6.459   0.826  -1.127  1.00  0.00           O  
HETATM   35  C   UNL     1       8.568   1.169  -0.195  1.00  0.00           C  
HETATM   36  C   UNL     1       8.908   2.069  -1.114  1.00  0.00           C  
HETATM   37  H   UNL     1       0.345   1.236   0.097  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.223   1.472  -1.574  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.308   3.908  -1.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.217   4.223   2.297  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.793   2.409   1.594  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.165   1.786   1.958  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.550   2.063   0.669  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.004   2.371  -0.994  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.887  -1.892   0.203  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.802  -1.370  -1.497  1.00  0.00           H  
HETATM   47  H   UNL     1       0.980  -1.550  -0.752  1.00  0.00           H  
HETATM   48  H   UNL     1       0.817  -1.553   1.020  1.00  0.00           H  
HETATM   49  H   UNL     1       1.844  -3.808   1.110  1.00  0.00           H  
HETATM   50  H   UNL     1       2.006  -3.805  -0.663  1.00  0.00           H  
HETATM   51  H   UNL     1       3.226  -2.368   2.487  1.00  0.00           H  
HETATM   52  H   UNL     1       5.356  -1.152   2.690  1.00  0.00           H  
HETATM   53  H   UNL     1       5.747  -1.145  -1.569  1.00  0.00           H  
HETATM   54  H   UNL     1       3.618  -2.365  -1.760  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.058   4.320  -0.637  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.095   4.718   0.754  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.679   5.731   0.381  1.00  0.00           H  
HETATM   58  H   UNL     1       1.836   2.895  -1.954  1.00  0.00           H  
HETATM   59  H   UNL     1       2.118   4.324  -0.931  1.00  0.00           H  
HETATM   60  H   UNL     1       2.315   2.690  -0.252  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.785   1.360   1.641  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.708  -0.395   1.928  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.209   0.533   1.686  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.871  -0.137  -1.597  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.260  -0.786   0.014  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.346   0.967  -0.284  1.00  0.00           H  
HETATM   67  H   UNL     1       7.491  -0.557   1.434  1.00  0.00           H  
HETATM   68  H   UNL     1       9.264   0.907   0.587  1.00  0.00           H  
HETATM   69  H   UNL     1       8.211   2.331  -1.897  1.00  0.00           H  
HETATM   70  H   UNL     1       9.880   2.538  -1.077  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4   18   18    2                                       
CONECT    4    5    5   19    3                                       
CONECT    5    6    4    4                                            
CONECT    6    7   13   13    5                                       
CONECT    7   12    8    6                                            
CONECT    8    9    7   37   38                                       
CONECT    9   10   29    8   39                                       
CONECT   10   11    9                                                 
CONECT   11   28   10   12   40                                       
CONECT   12   11    7   41   42                                       
CONECT   13   14    6    6   18                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16                                                 
CONECT   16   15   31   30   17                                       
CONECT   17   16   18   45   46                                       
CONECT   18   13    3    3   17                                       
CONECT   19   20    4                                                 
CONECT   20   21   19   47   48                                       
CONECT   21   22   20   49   50                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   51                                       
CONECT   24   25   23   23   52                                       
CONECT   25   32   26   26   24                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   22   22   54                                       
CONECT   28   11   55   56   57                                       
CONECT   29    9   58   59   60                                       
CONECT   30   16   61   62   63                                       
CONECT   31   16   64   65   66                                       
CONECT   32   33   25   67                                            
CONECT   33   35   34   34   32                                       
CONECT   34   33   33                                                 
CONECT   35   36   36   33   68                                       
CONECT   36   35   35   69   70                                       
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
