@MOLECULE strontium hexahydrate 19 12 0 0 0 SMALL USER_CHARGES @ATOM 1 SR 0.0024 0.0010 0.0050 Sr 1 UNL11111111 0.7896 2 O 1.8829 -0.6029 1.0058 O.3 2 HOH22222222 -0.6270 3 O 1.0764 1.2978 -1.4336 O.3 3 HOH33333333 -0.6271 4 O 0.2791 -1.7199 -1.3583 O.3 4 HOH44444444 -0.6271 5 O -1.2360 -1.2637 1.3379 O.3 5 HOH55555555 -0.6270 6 O -0.1418 1.6952 1.4229 O.3 6 HOH66666666 -0.6273 7 O -1.8773 0.5905 -1.0016 O.3 7 HOH77777777 -0.6274 8 H 2.7956 -0.2952 0.8020 H 0 HOH0 0.2458 9 H 1.9782 -1.2104 1.7742 H 0 HOH0 0.2460 10 H -1.9826 1.2102 -1.7576 H 0 HOH0 0.2490 11 H -2.7846 0.2801 -0.7859 H 0 HOH0 0.2497 12 H 1.0266 -2.3592 -1.3371 H 0 HOH0 0.2494 13 H -0.2944 -2.0128 -2.1018 H 0 HOH0 0.2457 14 H -0.8388 2.3874 1.4731 H 0 HOH0 0.2471 15 H 0.4928 1.9098 2.1429 H 0 HOH0 0.2488 16 H 1.4442 1.0322 -2.3062 H 0 HOH0 0.2485 17 H 1.3211 2.2440 -1.3231 H 0 HOH0 0.2476 18 H -1.6226 -1.0211 2.2088 H 0 HOH0 0.2474 19 H -1.4771 -2.2071 1.1991 H 0 HOH0 0.2484 @BOND 1 16 3 1 2 13 4 1 3 10 7 1 4 3 17 1 5 12 4 1 6 7 11 1 7 8 2 1 8 2 9 1 9 19 5 1 10 6 14 1 11 6 15 1 12 5 18 1