@MOLECULE magnesium trihydrate 10 6 0 0 0 SMALL USER_CHARGES @ATOM 1 O2 0.1817 -2.1545 -0.0064 O.3 1 NAPW111111111 -0.6645 2 H3 1.0210 -2.6585 -0.0523 H 1 NAPW111111111 0.2727 3 H4 -0.5451 -2.7711 0.2226 H 1 NAPW111111111 0.2735 4 O3 -1.9701 0.9153 0.0082 O.3 1 NAPW111111111 -0.6640 5 H6 -2.1517 1.8481 0.2507 H 1 NAPW111111111 0.2728 6 H5 -2.8138 0.4857 -0.2445 H 1 NAPW111111111 0.2722 7 O4 1.7878 1.2314 0.0109 O.3 1 NAPW111111111 -0.6640 8 H8 1.8218 2.1715 -0.2657 H 1 NAPW111111111 0.2728 9 H7 2.7021 0.9184 0.1750 H 1 NAPW111111111 0.2721 10 MG1 -0.0010 0.0054 -0.0119 Mg 1 NAPW111111111 0.3564 @BOND 1 1 2 1 2 1 3 1 3 4 5 1 4 4 6 1 5 7 8 1 6 7 9 1