COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.110   7.747  -0.258  1.00  0.00           C  
HETATM    2  C   UNL     1       1.627  -4.432  -0.163  1.00  0.00           C  
HETATM    3  O   UNL     1     -10.132  -0.168  -2.405  1.00  0.00           O  
HETATM    4  O   UNL     1       6.010   0.902  -1.414  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.154   1.697   2.552  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.262   1.784   1.212  1.00  0.00           O  
HETATM    7  C   UNL     1     -10.283  -1.289  -1.961  1.00  0.00           C  
HETATM    8  C   UNL     1      12.416  -1.567  -0.617  1.00  0.00           C  
HETATM    9  C   UNL     1      11.563  -2.116  -1.556  1.00  0.00           C  
HETATM   10  C   UNL     1      12.043  -0.430   0.075  1.00  0.00           C  
HETATM   11  C   UNL     1      10.337  -1.526  -1.805  1.00  0.00           C  
HETATM   12  C   UNL     1      10.820   0.164  -0.178  1.00  0.00           C  
HETATM   13  C   UNL     1       2.073  -0.174  -1.050  1.00  0.00           C  
HETATM   14  C   UNL     1       2.269   1.391   0.753  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.227  -3.248  -0.850  1.00  0.00           C  
HETATM   16  C   UNL     1       3.385  -0.561  -0.860  1.00  0.00           C  
HETATM   17  C   UNL     1       3.584   1.011   0.943  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.967   5.469  -0.491  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.879   5.331   0.686  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.023  -3.331   0.229  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.299   4.204  -0.046  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.213   4.064   1.125  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.935  -3.534  -0.409  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.689  -3.186   0.513  1.00  0.00           C  
HETATM   25  C   UNL     1       0.440  -2.611   2.713  1.00  0.00           C  
HETATM   26  C   UNL     1       2.323  -3.408   2.025  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.040  -1.120  -0.729  1.00  0.00           C  
HETATM   28  C   UNL     1       8.630   0.256  -1.386  1.00  0.00           C  
HETATM   29  C   UNL     1       0.086   1.229  -0.460  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.125  -3.292   0.818  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.000   0.277  -0.870  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.790  -1.108  -0.161  1.00  0.00           C  
HETATM   33  N   UNL     1       1.744  -2.752   2.993  1.00  0.00           N  
HETATM   34  N   UNL     1       7.620  -0.319  -0.494  1.00  0.00           N  
HETATM   35  O   UNL     1      -1.422   7.277  -0.570  1.00  0.00           O  
HETATM   36  O   UNL     1       5.436  -0.349   0.327  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.930  -1.504  -1.282  1.00  0.00           O  
HETATM   38  C   UNL     1       6.343   0.107  -0.558  1.00  0.00           C  
HETATM   39  C   UNL     1       9.965  -0.388  -1.114  1.00  0.00           C  
HETATM   40  C   UNL     1       1.516   0.804  -0.246  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.191  -1.975  -1.393  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.754   6.035  -0.128  1.00  0.00           C  
HETATM   43  C   UNL     1       4.144   0.031   0.138  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.721  -2.291  -0.393  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.423   3.502   0.761  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.695  -0.987  -0.447  1.00  0.00           C  
HETATM   47  C   UNL     1       0.202  -3.201   1.526  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.158  -2.431  -0.691  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.005  -2.000   0.199  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.840   0.339   0.371  1.00  0.00           C  
HETATM   51  N   UNL     1      -1.681  -1.943   0.645  1.00  0.00           N  
HETATM   52  N   UNL     1      -2.210   0.807   0.251  1.00  0.00           N  
HETATM   53  N   UNL     1       1.397  -3.703   1.087  1.00  0.00           N  
HETATM   54  S   UNL     1      -2.850   1.889   1.328  1.00  0.00           S  
HETATM   55  H   UNL     1      -0.011   7.859   0.822  1.00  0.00           H  
HETATM   56  H   UNL     1       0.628   7.030  -0.618  1.00  0.00           H  
HETATM   57  H   UNL     1       0.055   8.711  -0.740  1.00  0.00           H  
HETATM   58  H   UNL     1       1.423  -5.491  -0.009  1.00  0.00           H  
HETATM   59  H   UNL     1       0.966  -4.043  -0.937  1.00  0.00           H  
HETATM   60  H   UNL     1       2.664  -4.303  -0.473  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.255  -1.759  -2.001  1.00  0.00           H  
HETATM   62  H   UNL     1      13.371  -2.031  -0.419  1.00  0.00           H  
HETATM   63  H   UNL     1      11.854  -3.004  -2.097  1.00  0.00           H  
HETATM   64  H   UNL     1      12.707  -0.004   0.812  1.00  0.00           H  
HETATM   65  H   UNL     1       9.671  -1.954  -2.539  1.00  0.00           H  
HETATM   66  H   UNL     1      10.530   1.053   0.361  1.00  0.00           H  
HETATM   67  H   UNL     1       1.482  -0.631  -1.830  1.00  0.00           H  
HETATM   68  H   UNL     1       1.832   2.155   1.380  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.088  -3.897  -0.785  1.00  0.00           H  
HETATM   70  H   UNL     1       3.819  -1.325  -1.489  1.00  0.00           H  
HETATM   71  H   UNL     1       4.172   1.471   1.724  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.650   6.015  -1.126  1.00  0.00           H  
HETATM   73  H   UNL     1       0.066   5.769   0.971  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.532  -4.249   0.481  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.244   3.763  -0.328  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.533   3.515   1.759  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.606  -4.448   0.064  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.156  -3.997   0.988  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.292  -2.114   3.332  1.00  0.00           H  
HETATM   80  H   UNL     1       3.370  -3.672   1.981  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.569  -0.312  -1.213  1.00  0.00           H  
HETATM   82  H   UNL     1       8.344   0.076  -2.422  1.00  0.00           H  
HETATM   83  H   UNL     1       8.701   1.329  -1.210  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.034   2.268  -0.150  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.168   1.134  -1.515  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.985  -3.755  -0.159  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.813  -3.895   1.411  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.342   0.063  -1.712  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.742   1.016  -1.169  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.115  -1.125  -1.201  1.00  0.00           H  
HETATM   91  H   UNL     1       0.229  -1.487  -0.090  1.00  0.00           H  
HETATM   92  H   UNL     1       7.871  -1.007   0.143  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.533   0.359   1.416  1.00  0.00           H  
CONECT    1   35   55   56   57                                       
CONECT    2   53   58   59   60                                       
CONECT    3    7    7                                                 
CONECT    4   38   38                                                 
CONECT    5   54   54                                                 
CONECT    6   54   54                                                 
CONECT    7    3    3   41   61                                       
CONECT    8    9    9   10   62                                       
CONECT    9    8    8   11   63                                       
CONECT   10    8   12   12   64                                       
CONECT   11    9   39   39   65                                       
CONECT   12   10   10   39   66                                       
CONECT   13   16   16   40   67                                       
CONECT   14   17   40   40   68                                       
CONECT   15   41   41   23   69                                       
CONECT   16   13   13   43   70                                       
CONECT   17   14   43   43   71                                       
CONECT   18   21   21   42   72                                       
CONECT   19   22   42   42   73                                       
CONECT   20   24   24   44   74                                       
CONECT   21   18   18   45   75                                       
CONECT   22   19   45   45   76                                       
CONECT   23   15   48   48   77                                       
CONECT   24   20   20   49   78                                       
CONECT   25   33   47   47   79                                       
CONECT   26   33   33   53   80                                       
CONECT   27   46   44   44   81                                       
CONECT   28   39   34   82   83                                       
CONECT   29   40   50   84   85                                       
CONECT   30   47   51   86   87                                       
CONECT   31   52   46   88   89                                       
CONECT   32   50   51   90   91                                       
CONECT   33   25   26   26                                            
CONECT   34   28   38   92                                            
CONECT   35    1   42                                                 
CONECT   36   38   43                                                 
CONECT   37   48   41                                                 
CONECT   38    4    4   34   36                                       
CONECT   39   11   11   12   28                                       
CONECT   40   13   14   14   29                                       
CONECT   41    7   15   15   37                                       
CONECT   42   18   19   19   35                                       
CONECT   43   16   17   17   36                                       
CONECT   44   20   27   27   48                                       
CONECT   45   21   22   22   54                                       
CONECT   46   27   31   49   49                                       
CONECT   47   25   25   30   53                                       
CONECT   48   23   23   37   44                                       
CONECT   49   24   46   46   51                                       
CONECT   50   29   32   52   93                                       
CONECT   51   30   32   49                                            
CONECT   52   31   50   54                                            
CONECT   53    2   26   47                                            
CONECT   54    5    5    6    6                                       
CONECT   54   45   52                                                 
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   34                                                      
CONECT   93   50                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
