kappa 0.25090000
Br	1	2.42440000	0.75110000
C	1	2.49920000	0.32200000
C	2	2.50650000	0.31730000
C	3	2.46170000	0.34890000
Cl	1	2.51040000	0.83640000
F	1	3.00280000	1.24330000
H	1	2.38640000	0.65810000
I	1	2.32720000	0.93030000
N	1	2.58910000	0.40720000
N	2	2.55680000	0.29490000
N	3	2.53480000	0.40250000
O	1	2.63420000	0.40410000
O	2	2.65880000	0.42320000
P	1	2.38980000	0.19020000
P	2	2.20980000	0.32810000
S	1	2.45060000	0.24040000
S	2	2.48840000	0.20430000