COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.375   5.557  -0.860  1.00  0.00           O  
HETATM    2  C   UNL     1       9.497   5.175  -0.625  1.00  0.00           C  
HETATM    3  O   UNL     1      10.527   6.034  -0.695  1.00  0.00           O  
HETATM    4  C   UNL     1       9.740   3.737  -0.249  1.00  0.00           C  
HETATM    5  C   UNL     1       8.410   2.981  -0.236  1.00  0.00           C  
HETATM    6  C   UNL     1       8.653   1.542   0.140  1.00  0.00           C  
HETATM    7  O   UNL     1       9.781   1.158   0.376  1.00  0.00           O  
HETATM    8  C   UNL     1       7.566   0.638   0.220  1.00  0.00           C  
HETATM    9  S   UNL     1       5.892   1.059  -0.094  1.00  0.00           S  
HETATM   10  C   UNL     1       7.675  -0.661   0.540  1.00  0.00           C  
HETATM   11  C   UNL     1       6.473  -1.381   0.562  1.00  0.00           C  
HETATM   12  C   UNL     1       5.364  -0.588   0.235  1.00  0.00           C  
HETATM   13  C   UNL     1       4.086  -1.152   0.210  1.00  0.00           C  
HETATM   14  C   UNL     1       6.265  -2.750   0.864  1.00  0.00           C  
HETATM   15  C   UNL     1       5.013  -3.282   0.837  1.00  0.00           C  
HETATM   16  O   UNL     1       4.833  -4.599   1.128  1.00  0.00           O  
HETATM   17  C   UNL     1       5.999  -5.356   1.458  1.00  0.00           C  
HETATM   18  C   UNL     1       3.910  -2.487   0.506  1.00  0.00           C  
HETATM   19  O   UNL     1       2.665  -3.030   0.482  1.00  0.00           O  
HETATM   20  C   UNL     1       1.585  -2.161   0.135  1.00  0.00           C  
HETATM   21  C   UNL     1       0.271  -2.945   0.161  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.885  -2.014  -0.209  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.112  -2.746  -0.185  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.247  -2.060  -0.494  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.680  -1.994  -1.822  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.969  -2.614  -2.799  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.468  -2.506  -4.133  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.829  -1.301  -2.140  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.569  -0.659  -1.143  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.145  -0.718   0.192  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.963  -1.442   0.501  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.538  -1.518   1.781  1.00  0.00           F  
HETATM   33  S   UNL     1      -7.051   0.284  -1.255  1.00  0.00           S  
HETATM   34  C   UNL     1      -7.062   0.570   0.476  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.997  -0.025   1.061  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.045   1.319   1.164  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.968   1.464   2.367  1.00  0.00           O  
HETATM   38  C   UNL     1      -9.190   1.938   0.403  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.103   2.687   1.375  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.248   3.306   0.614  1.00  0.00           C  
HETATM   41  O   UNL     1     -12.181   4.016   1.267  1.00  0.00           O  
HETATM   42  O   UNL     1     -11.325   3.161  -0.583  1.00  0.00           O  
HETATM   43  H   UNL     1      10.321   6.947  -0.937  1.00  0.00           H  
HETATM   44  H   UNL     1      10.411   3.279  -0.976  1.00  0.00           H  
HETATM   45  H   UNL     1      10.193   3.692   0.742  1.00  0.00           H  
HETATM   46  H   UNL     1       7.739   3.438   0.491  1.00  0.00           H  
HETATM   47  H   UNL     1       7.957   3.026  -1.227  1.00  0.00           H  
HETATM   48  H   UNL     1       8.626  -1.121   0.766  1.00  0.00           H  
HETATM   49  H   UNL     1       3.232  -0.540  -0.042  1.00  0.00           H  
HETATM   50  H   UNL     1       7.108  -3.377   1.118  1.00  0.00           H  
HETATM   51  H   UNL     1       6.695  -5.334   0.620  1.00  0.00           H  
HETATM   52  H   UNL     1       6.475  -4.924   2.338  1.00  0.00           H  
HETATM   53  H   UNL     1       5.715  -6.387   1.668  1.00  0.00           H  
HETATM   54  H   UNL     1       1.533  -1.342   0.853  1.00  0.00           H  
HETATM   55  H   UNL     1       1.748  -1.759  -0.864  1.00  0.00           H  
HETATM   56  H   UNL     1       0.322  -3.764  -0.556  1.00  0.00           H  
HETATM   57  H   UNL     1       0.107  -3.347   1.161  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.937  -1.195   0.508  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.722  -1.612  -1.209  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.469  -2.935  -4.182  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.509  -1.456  -4.422  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.808  -3.044  -4.813  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.159  -1.253  -3.168  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.817   0.030   2.125  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.799   2.634  -0.339  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.758   1.154  -0.099  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.494   1.990   2.117  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.535   3.471   1.877  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.896   4.393   0.736  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   43                                                 
CONECT    4    2    5   44   45                                       
CONECT    5    6    4   46   47                                       
CONECT    6    8    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8   10   10    9    6                                       
CONECT    9   12    8                                                 
CONECT   10   11    8    8   48                                       
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11    9                                       
CONECT   13   18   12   12   49                                       
CONECT   14   15   11   11   50                                       
CONECT   15   16   18   18   14                                       
CONECT   16   17   15                                                 
CONECT   17   16   51   52   53                                       
CONECT   18   19   15   15   13                                       
CONECT   19   20   18                                                 
CONECT   20   21   19   54   55                                       
CONECT   21   22   20   56   57                                       
CONECT   22   21   23   58   59                                       
CONECT   23   22   24                                                 
CONECT   24   23   31   31   25                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27                                                 
CONECT   27   26   60   61   62                                       
CONECT   28   25   25   29   63                                       
CONECT   29   30   30   28   33                                       
CONECT   30   31   35   29   29                                       
CONECT   31   32   24   24   30                                       
CONECT   32   31                                                      
CONECT   33   34   29                                                 
CONECT   34   35   35   36   33                                       
CONECT   35   30   34   34   64                                       
CONECT   36   38   34   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   36   65   66                                       
CONECT   39   38   40   67   68                                       
CONECT   40   42   42   39   41                                       
CONECT   41   40   69                                                 
CONECT   42   40   40                                                 
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   35                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   41                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
