@MOLECULE (2s,3s)-2,3-dihydroxy-1,4-butanediyl dimethanesulfonate 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.9764 -0.8032 -0.0742 S.O2 1 UNL1111111111 2.4041 2 S 2.6891 -1.0031 0.1703 S.O2 1 UNL1111111111 2.3986 3 O -1.6428 0.1915 -0.0963 O.3 1 UNL1111111111 -0.7713 4 O 2.3126 0.3056 -0.7920 O.3 1 UNL1111111111 -0.7668 5 O -0.5276 2.7583 1.1855 O.3 1 UNL1111111111 -0.5765 6 O 1.1623 2.8225 -0.9691 O.3 1 UNL1111111111 -0.5768 7 O -3.2621 -1.1054 1.3042 O.2 1 UNL1111111111 -0.9116 8 O -2.7324 -1.8459 -1.0328 O.2 1 UNL1111111111 -0.8854 9 O 2.5640 -2.1906 -0.6255 O.2 1 UNL1111111111 -0.8792 10 O 1.9234 -0.8470 1.3814 O.2 1 UNL1111111111 -0.9153 11 C 0.0842 1.5586 0.7400 C.3 1 UNL1111111111 0.0869 12 C 0.3601 1.6742 -0.7730 C.3 1 UNL1111111111 0.0807 13 C -0.9118 0.4431 1.0914 C.3 1 UNL1111111111 0.0349 14 C 1.0376 0.4406 -1.3850 C.3 1 UNL1111111111 0.0083 15 C -4.1714 0.3254 -0.7176 C.3 1 UNL1111111111 -0.7569 16 C 4.3785 -0.5962 0.4464 C.3 1 UNL1111111111 -0.7532 17 H 1.0239 1.4442 1.3284 H 1 UNL1111111111 0.1476 18 H -0.5768 1.9283 -1.3255 H 1 UNL1111111111 0.1654 19 H -0.3931 -0.4903 1.3953 H 1 UNL1111111111 0.1628 20 H -1.5962 0.7767 1.8986 H 1 UNL1111111111 0.1512 21 H 0.4148 -0.4697 -1.2799 H 1 UNL1111111111 0.1625 22 H 1.2622 0.6052 -2.4595 H 1 UNL1111111111 0.1438 23 H -0.1338 3.5277 0.7207 H 1 UNL1111111111 0.3335 24 H 2.1027 2.6155 -0.7838 H 1 UNL1111111111 0.3322 25 H -3.7948 1.3600 -0.7385 H 1 UNL1111111111 0.1996 26 H -4.4659 0.0745 -1.7463 H 1 UNL1111111111 0.1931 27 H -5.0886 0.3406 -0.1117 H 1 UNL1111111111 0.1926 28 H 4.7078 0.2603 -0.1631 H 1 UNL1111111111 0.1994 29 H 4.5760 -0.3298 1.4959 H 1 UNL1111111111 0.1981 30 H 5.0511 -1.4303 0.1937 H 1 UNL1111111111 0.1977 @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