No title
1.0
7.00000000 0.00000000 0.00000000
0.00000000 7.00000000 0.00000000
0.00000000 0.00000000 7.00000000
O H
2 4
Direct
0.32294095 0.67872131 0.50634680 # 1 O1
0.31311023 0.24672979 0.48408842 # 2 O2
0.43658751 0.68972913 0.58542950 # 3 H1
0.30506462 0.54000471 0.49315108 # 4 H2
0.36021272 0.17611857 0.37402925 # 5 H3
0.23020328 0.15669224 0.55003016 # 6 H4