COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.966   1.119   0.591  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.383   0.768   0.358  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.339   1.024   1.344  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.660   0.695   1.123  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.040   0.108  -0.081  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.003  -2.947  -0.222  1.00  0.00           C  
HETATM    7  C   UNL     1       4.232   4.195   0.038  1.00  0.00           C  
HETATM    8  C   UNL     1       3.474   2.952   0.510  1.00  0.00           C  
HETATM    9  C   UNL     1       2.088   2.954  -0.081  1.00  0.00           C  
HETATM   10  C   UNL     1       1.112   2.098   0.424  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.121   0.568   1.540  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.485  -0.473   2.501  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.090  -0.148  -1.063  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.770   0.184  -0.850  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.176   2.115  -0.142  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.463   2.985  -1.196  1.00  0.00           C  
HETATM   17  C   UNL     1       0.510   3.816  -1.675  1.00  0.00           C  
HETATM   18  C   UNL     1       1.783   3.803  -1.122  1.00  0.00           C  
HETATM   19  C   UNL     1       4.698   0.689   0.957  1.00  0.00           C  
HETATM   20  C   UNL     1       5.354  -0.316  -0.010  1.00  0.00           C  
HETATM   21  C   UNL     1       4.662  -1.677   0.080  1.00  0.00           C  
HETATM   22  C   UNL     1       4.610  -3.905  -0.888  1.00  0.00           C  
HETATM   23  C   UNL     1       5.957  -4.626  -0.695  1.00  0.00           C  
HETATM   24  C   UNL     1       6.429  -3.344   0.015  1.00  0.00           C  
HETATM   25  C   UNL     1       4.485   1.436  -1.196  1.00  0.00           C  
HETATM   26  F   UNL     1      -5.585   0.942   2.076  1.00  0.00           F  
HETATM   27  N   UNL     1       1.122   1.162   1.431  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.377  -0.229  -0.300  1.00  0.00           N  
HETATM   29  N   UNL     1       4.189   1.750   0.073  1.00  0.00           N  
HETATM   30  N   UNL     1       5.378  -2.647  -0.759  1.00  0.00           N  
HETATM   31  N   UNL     1       5.879  -5.798   0.187  1.00  0.00           N  
HETATM   32  OXT UNL     1       0.431  -0.931   3.380  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.614  -0.927   2.507  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.089  -1.416  -2.405  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.174  -1.665  -1.096  1.00  0.00           O  
HETATM   36  O   UNL     1       5.147   0.275  -1.326  1.00  0.00           O  
HETATM   37  O   UNL     1       4.182   2.137  -2.141  1.00  0.00           O  
HETATM   38  S   UNL     1      -6.756  -1.591  -1.163  1.00  0.00           S  
HETATM   39  H   UNL     1      -3.044   1.479   2.278  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.926  -2.792  -0.160  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.425  -2.971   0.782  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.205  -3.894  -0.724  1.00  0.00           H  
HETATM   43  H   UNL     1       4.301   4.187  -1.050  1.00  0.00           H  
HETATM   44  H   UNL     1       3.701   5.089   0.363  1.00  0.00           H  
HETATM   45  H   UNL     1       5.235   4.193   0.465  1.00  0.00           H  
HETATM   46  H   UNL     1       3.406   2.959   1.597  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.388  -0.604  -1.996  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.033  -0.015  -1.614  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.451   3.000  -1.632  1.00  0.00           H  
HETATM   50  H   UNL     1       0.287   4.488  -2.491  1.00  0.00           H  
HETATM   51  H   UNL     1       2.542   4.466  -1.510  1.00  0.00           H  
HETATM   52  H   UNL     1       3.879   0.218   1.501  1.00  0.00           H  
HETATM   53  H   UNL     1       5.437   1.090   1.651  1.00  0.00           H  
HETATM   54  H   UNL     1       6.418  -0.414   0.204  1.00  0.00           H  
HETATM   55  H   UNL     1       4.667  -2.019   1.115  1.00  0.00           H  
HETATM   56  H   UNL     1       3.633  -1.586  -0.267  1.00  0.00           H  
HETATM   57  H   UNL     1       4.171  -4.053  -1.874  1.00  0.00           H  
HETATM   58  H   UNL     1       3.901  -4.075  -0.077  1.00  0.00           H  
HETATM   59  H   UNL     1       6.483  -4.830  -1.628  1.00  0.00           H  
HETATM   60  H   UNL     1       6.253  -3.348   1.091  1.00  0.00           H  
HETATM   61  H   UNL     1       7.443  -3.044  -0.249  1.00  0.00           H  
HETATM   62  H   UNL     1       1.889   0.949   1.985  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.083   0.334   0.053  1.00  0.00           H  
HETATM   64  H   UNL     1       6.782  -6.238   0.284  1.00  0.00           H  
HETATM   65  H   UNL     1       5.499  -5.549   1.088  1.00  0.00           H  
HETATM   66  HXT UNL     1       0.098  -1.617   3.974  1.00  0.00           H  
CONECT    1    2   11   11   15                                       
CONECT    2   14   14    3    1                                       
CONECT    3    4    4    2   39                                       
CONECT    4    5   26    3    3                                       
CONECT    5   28   13   13    4                                       
CONECT    6   38   40   41   42                                       
CONECT    7    8   43   44   45                                       
CONECT    8    9   29    7   46                                       
CONECT    9   10   10   18    8                                       
CONECT   10   15   27    9    9                                       
CONECT   11   12    1    1   27                                       
CONECT   12   33   33   11   32                                       
CONECT   13    5    5   14   47                                       
CONECT   14   13    2    2   48                                       
CONECT   15    1   16   16   10                                       
CONECT   16   15   15   17   49                                       
CONECT   17   16   18   18   50                                       
CONECT   18   17   17    9   51                                       
CONECT   19   29   20   52   53                                       
CONECT   20   36   21   19   54                                       
CONECT   21   20   30   55   56                                       
CONECT   22   30   23   57   58                                       
CONECT   23   22   31   24   59                                       
CONECT   24   30   23   60   61                                       
CONECT   25   37   37   36   29                                       
CONECT   26    4                                                      
CONECT   27   11   10   62                                            
CONECT   28   38    5   63                                            
CONECT   29   25    8   19                                            
CONECT   30   21   22   24                                            
CONECT   31   23   64   65                                            
CONECT   32   12   66                                                 
CONECT   33   12   12                                                 
CONECT   34   38   38                                                 
CONECT   35   38   38                                                 
CONECT   36   25   20                                                 
CONECT   37   25   25                                                 
CONECT   38   34   34   35   35                                       
CONECT   38    6   28                                                 
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
