COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.292   2.601  -0.164  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.247   3.422   0.233  1.00  0.00           C  
HETATM    3  C   UNL     1       1.019   2.893   0.416  1.00  0.00           C  
HETATM    4  C   UNL     1       2.590   0.956   0.391  1.00  0.00           C  
HETATM    5  C   UNL     1       4.239  -0.511   0.548  1.00  0.00           C  
HETATM    6  C   UNL     1       2.026  -1.435   0.047  1.00  0.00           C  
HETATM    7  C   UNL     1       1.803  -1.836  -1.265  1.00  0.00           C  
HETATM    8  C   UNL     1       0.928  -2.874  -1.529  1.00  0.00           C  
HETATM    9  C   UNL     1       1.371  -2.079   1.087  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.174  -3.101   2.151  1.00  0.00           C  
HETATM   11  C   UNL     1       1.241   1.528   0.198  1.00  0.00           C  
HETATM   12  C   UNL     1       0.184   0.709  -0.202  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.074   1.245  -0.376  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.533   3.123  -0.343  1.00  0.00           O  
HETATM   15  O   UNL     1       2.043   3.696   0.804  1.00  0.00           O  
HETATM   16  N   UNL     1       3.672   1.631   0.663  1.00  0.00           N  
HETATM   17  N   UNL     1       4.735   0.724   0.768  1.00  0.00           N  
HETATM   18  N   UNL     1       2.917  -0.386   0.320  1.00  0.00           N  
HETATM   19  C   UNL     1       0.278  -3.513  -0.490  1.00  0.00           C  
HETATM   20  C   UNL     1       0.499  -3.115   0.816  1.00  0.00           C  
HETATM   21  O   UNL     1       4.871  -1.553   0.561  1.00  0.00           O  
HETATM   22  S   UNL     1      -2.407   0.209  -0.881  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.050   0.879  -1.957  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.877  -1.104  -0.988  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.498   0.172   0.365  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.385  -0.850   1.407  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.292  -2.033   1.062  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.576   1.163   0.424  1.00  0.00           C  
HETATM   29  F   UNL     1       2.438  -1.211  -2.281  1.00  0.00           F  
HETATM   30  H   UNL     1      -0.422   4.475   0.401  1.00  0.00           H  
HETATM   31  H   UNL     1       0.753  -3.187  -2.548  1.00  0.00           H  
HETATM   32  H   UNL     1       1.543  -1.770   2.108  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.820  -3.944   1.905  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.140  -3.442   2.215  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.477  -2.679   3.109  1.00  0.00           H  
HETATM   36  H   UNL     1       0.351  -0.344  -0.371  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.701   3.441  -1.240  1.00  0.00           H  
HETATM   38  H   UNL     1       2.148   3.763   1.763  1.00  0.00           H  
HETATM   39  H   UNL     1       5.660   0.944   0.960  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.405  -4.323  -0.698  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.011  -3.616   1.626  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.352  -1.191   1.471  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.688  -0.428   2.365  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.989  -2.456   0.104  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.325  -1.692   0.998  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.448   0.783  -0.109  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.840   1.351   1.465  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.242   2.091  -0.040  1.00  0.00           H  
CONECT    1    2    2   13   14                                       
CONECT    2    3    1    1   30                                       
CONECT    3   15   11   11    2                                       
CONECT    4   16   16   18   11                                       
CONECT    5   17   21   21   18                                       
CONECT    6   18    7    7    9                                       
CONECT    7   29    6    6    8                                       
CONECT    8    7   19   19   31                                       
CONECT    9    6   20   20   32                                       
CONECT   10   27   33   34   35                                       
CONECT   11    4    3    3   12                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12    1   22                                       
CONECT   14    1   37                                                 
CONECT   15    3   38                                                 
CONECT   16   17    4    4                                            
CONECT   17    5   16   39                                            
CONECT   18    5    4    6                                            
CONECT   19    8    8   20   40                                       
CONECT   20    9    9   19   41                                       
CONECT   21    5    5                                                 
CONECT   22   13   25   23   23                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   26   28   22                                            
CONECT   26   27   25   42   43                                       
CONECT   27   10   26   44   45                                       
CONECT   28   25   46   47   48                                       
CONECT   29    7                                                      
CONECT   30    2                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
