@MOLECULE 4-hydroxybutyl methanesulfonate 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.3018 -0.1157 -0.0002 S.O2 1 UNL1111111111 2.3830 2 O -0.7509 0.4781 -0.0015 O.3 1 UNL1111111111 -0.7485 3 O 5.1880 -0.3375 0.0114 O.3 1 UNL1111111111 -0.5502 4 O -2.4966 -0.8230 1.2382 O.2 1 UNL1111111111 -0.8991 5 O -2.5116 -0.7921 -1.2532 O.2 1 UNL1111111111 -0.8985 6 C 1.5806 0.5025 -0.0060 C.3 1 UNL1111111111 -0.3006 7 C 2.8547 -0.3382 -0.0014 C.3 1 UNL1111111111 -0.2979 8 C 0.3505 -0.4132 -0.0054 C.3 1 UNL1111111111 0.0624 9 C 4.0910 0.5656 -0.0073 C.3 1 UNL1111111111 0.0026 10 C -3.1325 1.4372 0.0243 C.3 1 UNL1111111111 -0.7411 11 H 1.5451 1.1694 -0.8892 H 1 UNL1111111111 0.1517 12 H 1.5420 1.1741 0.8735 H 1 UNL1111111111 0.1519 13 H 2.8918 -1.0046 0.8835 H 1 UNL1111111111 0.1581 14 H 2.8919 -1.0156 -0.8782 H 1 UNL1111111111 0.1576 15 H 0.3073 -1.0434 0.9041 H 1 UNL1111111111 0.1284 16 H 0.3038 -1.0399 -0.9170 H 1 UNL1111111111 0.1280 17 H 4.1498 1.1837 -0.9199 H 1 UNL1111111111 0.1113 18 H 4.1393 1.2098 0.8875 H 1 UNL1111111111 0.1114 19 H -4.2253 1.3194 0.0174 H 1 UNL1111111111 0.1919 20 H -2.8787 2.0244 0.9192 H 1 UNL1111111111 0.1940 21 H -2.8715 2.0560 -0.8469 H 1 UNL1111111111 0.1940 22 H 6.0316 0.1509 0.0036 H 1 UNL1111111111 0.3095 @BOND 1 1 2 1 2 1 4 2 3 1 5 2 4 1 10 1 5 2 8 1 6 3 9 1 7 3 22 1 8 6 7 1 9 6 8 1 10 6 11 1 11 6 12 1 12 7 9 1 13 7 13 1 14 7 14 1 15 8 15 1 16 8 16 1 17 9 17 1 18 9 18 1 19 10 19 1 20 10 20 1 21 10 21 1