@MOLECULE threitol 1,4-bis(methanesulfonate) 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4983 -0.1400 0.0062 S.O2 1 UNL1111111111 2.3910 2 S 4.4992 0.1234 0.0114 S.O2 1 UNL1111111111 2.3937 3 O -2.9530 0.4745 -0.0965 O.3 1 UNL1111111111 -0.7693 4 O 2.9444 -0.4544 -0.1543 O.3 1 UNL1111111111 -0.7709 5 O -0.3806 1.5581 0.4315 O.3 1 UNL1111111111 -0.5772 6 O 0.3885 -1.5237 0.4304 O.3 1 UNL1111111111 -0.5773 7 O -4.8331 -0.2568 1.3983 O.2 1 UNL1111111111 -0.8857 8 O -4.5533 -1.2898 -0.8570 O.2 1 UNL1111111111 -0.8993 9 O 4.7760 0.2314 1.4173 O.2 1 UNL1111111111 -0.8882 10 O 4.6169 1.2726 -0.8461 O.2 1 UNL1111111111 -0.8986 11 C -0.6503 0.4405 -0.3947 C.3 1 UNL1111111111 0.1008 12 C 0.6378 -0.4106 -0.4079 C.3 1 UNL1111111111 0.1011 13 C -1.8380 -0.3616 0.1588 C.3 1 UNL1111111111 0.0146 14 C 1.8401 0.3930 0.1109 C.3 1 UNL1111111111 0.0147 15 C -5.3245 1.2357 -0.7192 C.3 1 UNL1111111111 -0.7430 16 C 5.3251 -1.2703 -0.6821 C.3 1 UNL1111111111 -0.7515 17 H -0.8755 0.8437 -1.4089 H 1 UNL1111111111 0.1365 18 H 0.8375 -0.8206 -1.4250 H 1 UNL1111111111 0.1368 19 H -1.9488 -1.3370 -0.3545 H 1 UNL1111111111 0.1538 20 H -1.7554 -0.5116 1.2539 H 1 UNL1111111111 0.1558 21 H 1.9510 1.3575 -0.4219 H 1 UNL1111111111 0.1525 22 H 1.7763 0.5630 1.2047 H 1 UNL1111111111 0.1564 23 H -1.2225 1.9536 0.7444 H 1 UNL1111111111 0.3411 24 H 1.2373 -1.9072 0.7393 H 1 UNL1111111111 0.3413 25 H -5.0709 1.3558 -1.7826 H 1 UNL1111111111 0.1935 26 H -6.4180 1.1360 -0.6610 H 1 UNL1111111111 0.1925 27 H -5.0672 2.1822 -0.2209 H 1 UNL1111111111 0.1947 28 H 6.0351 -1.7241 0.0254 H 1 UNL1111111111 0.1967 29 H 4.6234 -2.0664 -0.9761 H 1 UNL1111111111 0.1979 30 H 5.8926 -1.0049 -1.5864 H 1 UNL1111111111 0.1955 @BOND 1 1 3 1 2 1 7 2 3 1 8 2 4 1 15 1 5 2 4 1 6 2 9 2 7 2 10 2 8 2 16 1 9 3 13 1 10 4 14 1 11 5 11 1 12 5 23 1 13 6 12 1 14 6 24 1 15 11 12 1 16 11 13 1 17 11 17 1 18 12 14 1 19 12 18 1 20 13 19 1 21 13 20 1 22 14 21 1 23 14 22 1 24 15 25 1 25 15 26 1 26 15 27 1 27 16 28 1 28 16 29 1 29 16 30 1