2 3
Sb 5.00 0.590000 6.680228 0.000000 0.000000 0.000000
3
0.597684 1.951477 -0.014538 -0.191918
0.037537 0.495531
-0.786631
2
0.672122 0.970313 0.197230
-0.466731
1
0.856557 0.300103
5 0 2.0 0
5 1 3.0 0