@MOLECULE methyl 1-hexanesulfonate 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.8880 0.3152 0.0266 S.O2 1 UNL1111111111 2.3427 2 O 2.9096 -0.9988 -0.0686 O.3 1 UNL1111111111 -0.7200 3 O 1.9801 1.0334 -1.2175 O.2 1 UNL1111111111 -0.8924 4 O 2.1643 0.9910 1.2675 O.2 1 UNL1111111111 -0.8941 5 C -2.1275 -0.6087 0.0753 C.3 1 UNL1111111111 -0.2669 6 C -0.8609 0.2567 -0.0108 C.3 1 UNL1111111111 -0.2484 7 C -3.3824 0.2651 -0.0429 C.3 1 UNL1111111111 -0.2776 8 C 0.3838 -0.6230 0.1240 C.3 1 UNL1111111111 -0.5763 9 C -4.6526 -0.5915 0.0350 C.3 1 UNL1111111111 -0.2583 10 C -5.9038 0.2797 -0.0748 C.3 1 UNL1111111111 -0.4364 11 C 4.2998 -0.7882 -0.1315 C.3 1 UNL1111111111 -0.1035 12 H -2.1454 -1.1670 1.0299 H 1 UNL1111111111 0.1370 13 H -2.1237 -1.3723 -0.7248 H 1 UNL1111111111 0.1369 14 H -0.8916 1.0308 0.7844 H 1 UNL1111111111 0.1512 15 H -0.8554 0.8086 -0.9751 H 1 UNL1111111111 0.1564 16 H -3.3670 0.8287 -0.9948 H 1 UNL1111111111 0.1400 17 H -3.3936 1.0275 0.7587 H 1 UNL1111111111 0.1397 18 H 0.3518 -1.1828 1.0823 H 1 UNL1111111111 0.1852 19 H 0.3804 -1.4056 -0.6645 H 1 UNL1111111111 0.1861 20 H -4.6490 -1.3500 -0.7706 H 1 UNL1111111111 0.1343 21 H -4.6706 -1.1591 0.9845 H 1 UNL1111111111 0.1342 22 H -5.9283 0.8287 -1.0229 H 1 UNL1111111111 0.1439 23 H -6.8152 -0.3263 -0.0222 H 1 UNL1111111111 0.1421 24 H -5.9518 1.0166 0.7347 H 1 UNL1111111111 0.1437 25 H 4.6541 -0.2763 0.7733 H 1 UNL1111111111 0.1313 26 H 4.5643 -0.2313 -1.0403 H 1 UNL1111111111 0.1304 27 H 4.7134 -1.8060 -0.1775 H 1 UNL1111111111 0.1389 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 8 1 5 2 11 1 6 5 6 1 7 5 7 1 8 5 12 1 9 5 13 1 10 6 8 1 11 6 14 1 12 6 15 1 13 7 9 1 14 7 16 1 15 7 17 1 16 8 18 1 17 8 19 1 18 9 10 1 19 9 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 11 27 1