COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.642  -0.338   0.662  1.00  0.00           O  
HETATM    2  C   UNL     1       5.774   0.233   0.031  1.00  0.00           C  
HETATM    3  O   UNL     1       6.099   0.971  -1.047  1.00  0.00           O  
HETATM    4  C   UNL     1       7.506   1.040  -1.398  1.00  0.00           C  
HETATM    5  C   UNL     1       7.677   1.904  -2.621  1.00  0.00           C  
HETATM    6  O   UNL     1       7.647   1.490  -3.903  1.00  0.00           O  
HETATM    7  C   UNL     1       7.832   2.564  -4.683  1.00  0.00           C  
HETATM    8  N   UNL     1       7.974   3.613  -3.925  1.00  0.00           N  
HETATM    9  C   UNL     1       7.881   3.231  -2.638  1.00  0.00           C  
HETATM   10  N   UNL     1       4.484   0.123   0.408  1.00  0.00           N  
HETATM   11  C   UNL     1       4.130  -0.686   1.578  1.00  0.00           C  
HETATM   12  C   UNL     1       4.275   0.160   2.845  1.00  0.00           C  
HETATM   13  C   UNL     1       5.723   0.529   3.039  1.00  0.00           C  
HETATM   14  C   UNL     1       6.221   1.693   2.484  1.00  0.00           C  
HETATM   15  C   UNL     1       7.549   2.031   2.662  1.00  0.00           C  
HETATM   16  C   UNL     1       8.380   1.206   3.396  1.00  0.00           C  
HETATM   17  C   UNL     1       7.883   0.041   3.951  1.00  0.00           C  
HETATM   18  C   UNL     1       6.553  -0.294   3.778  1.00  0.00           C  
HETATM   19  C   UNL     1       2.683  -1.164   1.447  1.00  0.00           C  
HETATM   20  C   UNL     1       2.564  -2.110   0.251  1.00  0.00           C  
HETATM   21  C   UNL     1       1.117  -2.589   0.120  1.00  0.00           C  
HETATM   22  C   UNL     1       1.023  -3.630  -0.997  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.375  -4.191  -1.045  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.334  -3.591  -1.839  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.616  -4.105  -1.882  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.940  -5.220  -1.131  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.980  -5.820  -0.337  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.697  -5.309  -0.299  1.00  0.00           C  
HETATM   29  N   UNL     1       0.253  -1.450  -0.200  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.056  -1.486   0.120  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.535  -2.491   0.602  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.924  -0.278  -0.120  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.862   0.646   1.098  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.236  -0.142   2.355  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.443   1.199   1.246  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.308  -0.707  -0.337  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.151   0.071  -1.045  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.763   1.128  -1.504  1.00  0.00           O  
HETATM   39  N   UNL     1      -5.424  -0.324  -1.245  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.891  -1.598  -0.693  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.340   0.521  -2.015  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.047   1.473  -1.084  1.00  0.00           C  
HETATM   43  N   UNL     1      -8.136   1.143  -0.420  1.00  0.00           N  
HETATM   44  C   UNL     1      -6.618   2.718  -0.862  1.00  0.00           C  
HETATM   45  S   UNL     1      -7.725   3.477   0.280  1.00  0.00           S  
HETATM   46  C   UNL     1      -8.652   2.043   0.348  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.892   1.855   1.184  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.546   2.060   2.661  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.951   2.875   0.762  1.00  0.00           C  
HETATM   50  H   UNL     1       8.067   1.471  -0.568  1.00  0.00           H  
HETATM   51  H   UNL     1       7.878   0.037  -1.606  1.00  0.00           H  
HETATM   52  H   UNL     1       7.860   2.560  -5.763  1.00  0.00           H  
HETATM   53  H   UNL     1       7.954   3.876  -1.775  1.00  0.00           H  
HETATM   54  H   UNL     1       3.791   0.578  -0.095  1.00  0.00           H  
HETATM   55  H   UNL     1       4.794  -1.548   1.638  1.00  0.00           H  
HETATM   56  H   UNL     1       3.679   1.067   2.747  1.00  0.00           H  
HETATM   57  H   UNL     1       3.927  -0.412   3.705  1.00  0.00           H  
HETATM   58  H   UNL     1       5.571   2.338   1.910  1.00  0.00           H  
HETATM   59  H   UNL     1       7.938   2.941   2.228  1.00  0.00           H  
HETATM   60  H   UNL     1       9.418   1.470   3.535  1.00  0.00           H  
HETATM   61  H   UNL     1       8.532  -0.604   4.525  1.00  0.00           H  
HETATM   62  H   UNL     1       6.164  -1.203   4.212  1.00  0.00           H  
HETATM   63  H   UNL     1       2.390  -1.690   2.356  1.00  0.00           H  
HETATM   64  H   UNL     1       2.028  -0.306   1.298  1.00  0.00           H  
HETATM   65  H   UNL     1       2.857  -1.585  -0.658  1.00  0.00           H  
HETATM   66  H   UNL     1       3.219  -2.969   0.400  1.00  0.00           H  
HETATM   67  H   UNL     1       0.796  -3.036   1.061  1.00  0.00           H  
HETATM   68  H   UNL     1       1.259  -3.160  -1.952  1.00  0.00           H  
HETATM   69  H   UNL     1       1.732  -4.435  -0.804  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.081  -2.719  -2.425  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.366  -3.635  -2.502  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.941  -5.621  -1.165  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.233  -6.691   0.250  1.00  0.00           H  
HETATM   74  H   UNL     1       0.053  -5.778   0.322  1.00  0.00           H  
HETATM   75  H   UNL     1       0.623  -0.670  -0.642  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.567   0.257  -1.000  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.561   1.471   0.965  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.536  -0.967   2.489  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.191   0.516   3.223  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.247  -0.536   2.249  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.135   1.666   0.311  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.423   1.939   2.046  1.00  0.00           H  
HETATM   83  H   UNL     1       0.241   0.385   1.488  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.617  -1.550   0.028  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.292  -1.435   0.308  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.672  -2.007  -1.334  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.059  -2.299  -0.642  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.776   1.088  -2.755  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.075  -0.106  -2.520  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.747   3.179  -1.303  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.279   0.847   1.039  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.792   1.334   2.962  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.158   3.068   2.807  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.443   1.925   3.266  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.197   2.729  -0.290  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.847   2.740   1.367  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.563   3.883   0.908  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   10    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   50   51                                       
CONECT    5    6    9    9    4                                       
CONECT    6    7    5                                                 
CONECT    7    6    8    8   52                                       
CONECT    8    7    7    9                                            
CONECT    9    8    5    5   53                                       
CONECT   10    2   11   54                                            
CONECT   11   10   19   12   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15   58                                       
CONECT   15   16   16   14   59                                       
CONECT   16   17   15   15   60                                       
CONECT   17   18   18   16   61                                       
CONECT   18   17   17   13   62                                       
CONECT   19   20   11   63   64                                       
CONECT   20   21   19   65   66                                       
CONECT   21   29   22   20   67                                       
CONECT   22   23   21   68   69                                       
CONECT   23   28   28   24   22                                       
CONECT   24   25   25   23   70                                       
CONECT   25   26   24   24   71                                       
CONECT   26   27   27   25   72                                       
CONECT   27   26   26   28   73                                       
CONECT   28   27   23   23   74                                       
CONECT   29   30   21   75                                            
CONECT   30   32   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   36   33   30   76                                       
CONECT   33   32   34   35   77                                       
CONECT   34   33   78   79   80                                       
CONECT   35   33   81   82   83                                       
CONECT   36   37   32   84                                            
CONECT   37   39   38   38   36                                       
CONECT   38   37   37                                                 
CONECT   39   41   40   37                                            
CONECT   40   39   85   86   87                                       
CONECT   41   42   39   88   89                                       
CONECT   42   41   44   44   43                                       
CONECT   43   42   46   46                                            
CONECT   44   42   42   45   90                                       
CONECT   45   44   46                                                 
CONECT   46   43   43   45   47                                       
CONECT   47   48   46   49   91                                       
CONECT   48   47   92   93   94                                       
CONECT   49   47   95   96   97                                       
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   44                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
