kappa 0.23990000
Br	1	2.44000000	0.65270000
C	1	2.48870000	0.30540000
C	2	2.49750000	0.29610000
C	3	2.46130000	0.31760000
Cl	1	2.52250000	0.79330000
F	1	3.02110000	1.19770000
H	1	2.39150000	0.62770000
I	1	2.32740000	0.92110000
N	1	2.59430000	0.39200000
N	2	2.55000000	0.27810000
N	3	2.53340000	0.37180000
O	1	2.63990000	0.39450000
O	2	2.65050000	0.38190000
P	1	2.39290000	0.17320000
P	2	2.17410000	0.31920000
S	1	2.44710000	0.23960000
S	2	2.49060000	0.19500000