COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.325  -0.277   0.099  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.439   0.448   0.898  1.00  0.00           C  
HETATM    3  C   UNL     1       0.877   0.047   1.005  1.00  0.00           C  
HETATM    4  C   UNL     1       1.320  -1.072   0.322  1.00  0.00           C  
HETATM    5  C   UNL     1       2.757  -1.507   0.448  1.00  0.00           C  
HETATM    6  C   UNL     1       5.597   0.176   0.557  1.00  0.00           C  
HETATM    7  C   UNL     1       5.027   1.539   0.154  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.737   0.149  -0.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.434  -0.213  -0.849  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.521   0.573   0.094  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.282   0.909   1.378  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.311  -0.261   0.431  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.036   0.200   0.112  1.00  0.00           C  
HETATM   14  CA  UNL     1      -3.204   1.322  -0.584  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.371   2.371  -1.178  1.00  0.00           C  
HETATM   16  C   UNL     1       5.447   2.588   1.187  1.00  0.00           C  
HETATM   17  C   UNL     1       7.480   1.367   1.686  1.00  0.00           C  
HETATM   18  C   UNL     1       7.121   0.282   0.668  1.00  0.00           C  
HETATM   19  C   UNL     1       0.447  -1.796  -0.474  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.872  -1.401  -0.593  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.919  -0.593   0.436  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.098  -1.826   1.068  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.358  -2.257   1.371  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.464  -1.479   1.054  1.00  0.00           C  
HETATM   25  F   UNL     1       0.887  -2.887  -1.138  1.00  0.00           F  
HETATM   26  N   UNL     1      -4.581   1.344  -0.499  1.00  0.00           N  
HETATM   27  N   UNL     1       3.509  -1.057  -0.727  1.00  0.00           N  
HETATM   28  N   UNL     1       6.912   2.651   1.255  1.00  0.00           N  
HETATM   29  OXT UNL     1      -2.946   3.474  -1.700  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.161   2.247  -1.200  1.00  0.00           O  
HETATM   31  O   UNL     1       5.536  -0.602  -1.994  1.00  0.00           O  
HETATM   32  O   UNL     1       5.508  -2.363  -0.256  1.00  0.00           O  
HETATM   33  S   UNL     1       5.165  -1.058  -0.700  1.00  0.00           S  
HETATM   34  H   UNL     1      -0.783   1.321   1.432  1.00  0.00           H  
HETATM   35  H   UNL     1       1.563   0.608   1.622  1.00  0.00           H  
HETATM   36  H   UNL     1       3.192  -1.070   1.347  1.00  0.00           H  
HETATM   37  H   UNL     1       2.803  -2.594   0.514  1.00  0.00           H  
HETATM   38  H   UNL     1       5.182  -0.123   1.520  1.00  0.00           H  
HETATM   39  H   UNL     1       5.412   1.819  -0.826  1.00  0.00           H  
HETATM   40  H   UNL     1       3.939   1.481   0.115  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.752  -1.135  -0.363  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.309   0.390  -1.093  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.892  -0.452  -1.764  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.203   1.495  -0.392  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.600  -0.014   1.864  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.631   1.468   2.050  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.157   1.511   1.135  1.00  0.00           H  
HETATM   48  H   UNL     1       5.054   3.562   0.896  1.00  0.00           H  
HETATM   49  H   UNL     1       5.049   2.314   2.165  1.00  0.00           H  
HETATM   50  H   UNL     1       7.073   1.099   2.661  1.00  0.00           H  
HETATM   51  H   UNL     1       8.564   1.455   1.756  1.00  0.00           H  
HETATM   52  H   UNL     1       7.529  -0.674   0.996  1.00  0.00           H  
HETATM   53  H   UNL     1       7.539   0.542  -0.304  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.553  -1.966  -1.212  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.243  -2.436   1.317  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.496  -3.210   1.860  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.454  -1.833   1.300  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.146   2.062  -0.825  1.00  0.00           H  
HETATM   59  H   UNL     1       3.037  -0.759  -1.520  1.00  0.00           H  
HETATM   60  H   UNL     1       7.303   2.941   0.371  1.00  0.00           H  
HETATM   61  HXT UNL     1      -2.316   4.109  -2.068  1.00  0.00           H  
CONECT    1   20   20    2    8                                       
CONECT    2    3    3    1   34                                       
CONECT    3    4    2    2   35                                       
CONECT    4    5   19   19    3                                       
CONECT    5   27    4   36   37                                       
CONECT    6    7   18   33   38                                       
CONECT    7   16    6   39   40                                       
CONECT    8    1   14   14   21                                       
CONECT    9   10   41   42   43                                       
CONECT   10   12   11    9   44                                       
CONECT   11   10   45   46   47                                       
CONECT   12   13   13   24   10                                       
CONECT   13   21   26   12   12                                       
CONECT   14   15    8    8   26                                       
CONECT   15   30   30   14   29                                       
CONECT   16   28    7   48   49                                       
CONECT   17   28   18   50   51                                       
CONECT   18   17    6   52   53                                       
CONECT   19   25    4    4   20                                       
CONECT   20   19    1    1   54                                       
CONECT   21    8   22   22   13                                       
CONECT   22   21   21   23   55                                       
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   12   57                                       
CONECT   25   19                                                      
CONECT   26   14   13   58                                            
CONECT   27    5   33   59                                            
CONECT   28   16   17   60                                            
CONECT   29   15   61                                                 
CONECT   30   15   15                                                 
CONECT   31   33   33                                                 
CONECT   32   33   33                                                 
CONECT   33    6   27   31   31                                       
CONECT   33   32   32                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
