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