@MOLECULE methyl 1-tetradecanesulfonate 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 S 6.3757 0.3413 0.0735 S.O2 1 UNL1111111111 2.3441 2 O 7.3085 -0.9689 -0.3652 O.3 1 UNL1111111111 -0.7201 3 O 6.2814 1.2162 -1.0654 O.2 1 UNL1111111111 -0.8916 4 O 6.8928 0.8403 1.3215 O.2 1 UNL1111111111 -0.8964 5 C -2.6912 -0.5333 0.1064 C.3 1 UNL1111111111 -0.2733 6 C -1.4151 0.3058 -0.0320 C.3 1 UNL1111111111 -0.2697 7 C -3.9379 0.3465 -0.0483 C.3 1 UNL1111111111 -0.2722 8 C -0.1676 -0.5712 0.1448 C.3 1 UNL1111111111 -0.2801 9 C -5.2139 -0.4949 0.0809 C.3 1 UNL1111111111 -0.2716 10 C 1.1047 0.2760 0.0194 C.3 1 UNL1111111111 -0.2778 11 C -6.4609 0.3860 -0.0664 C.3 1 UNL1111111111 -0.2721 12 C 2.3595 -0.5833 0.2168 C.3 1 UNL1111111111 -0.2656 13 C -7.7370 -0.4567 0.0533 C.3 1 UNL1111111111 -0.2748 14 C 3.6241 0.2794 0.0751 C.3 1 UNL1111111111 -0.2475 15 C -8.9838 0.4217 -0.1088 C.3 1 UNL1111111111 -0.2721 16 C 4.8720 -0.5705 0.3231 C.3 1 UNL1111111111 -0.5806 17 C -10.2616 -0.4208 0.0026 C.3 1 UNL1111111111 -0.2510 18 C -11.5060 0.4523 -0.1599 C.3 1 UNL1111111111 -0.4397 19 C 8.6857 -0.7904 -0.5944 C.3 1 UNL1111111111 -0.1036 20 H -2.6990 -1.3385 -0.6516 H 1 UNL1111111111 0.1366 21 H -2.7060 -1.0414 1.0887 H 1 UNL1111111111 0.1366 22 H -1.3932 0.8022 -1.0206 H 1 UNL1111111111 0.1377 23 H -1.4146 1.1203 0.7164 H 1 UNL1111111111 0.1374 24 H -3.9202 0.8596 -1.0279 H 1 UNL1111111111 0.1370 25 H -3.9337 1.1477 0.7140 H 1 UNL1111111111 0.1369 26 H -0.1972 -1.0747 1.1288 H 1 UNL1111111111 0.1367 27 H -0.1660 -1.3804 -0.6092 H 1 UNL1111111111 0.1371 28 H -5.2210 -1.2922 -0.6855 H 1 UNL1111111111 0.1364 29 H -5.2294 -1.0127 1.0580 H 1 UNL1111111111 0.1363 30 H 1.0835 1.0952 0.7617 H 1 UNL1111111111 0.1390 31 H 1.1343 0.7668 -0.9715 H 1 UNL1111111111 0.1404 32 H -6.4586 1.1791 0.7035 H 1 UNL1111111111 0.1366 33 H -6.4426 0.9088 -1.0409 H 1 UNL1111111111 0.1368 34 H 2.3344 -1.0654 1.2114 H 1 UNL1111111111 0.1366 35 H 2.3743 -1.4058 -0.5221 H 1 UNL1111111111 0.1368 36 H -7.7357 -1.2568 -0.7102 H 1 UNL1111111111 0.1363 37 H -7.7607 -0.9714 1.0319 H 1 UNL1111111111 0.1362 38 H 3.6485 0.7373 -0.9378 H 1 UNL1111111111 0.1607 39 H 3.5721 1.1278 0.7879 H 1 UNL1111111111 0.1478 40 H -8.9890 1.2184 0.6578 H 1 UNL1111111111 0.1365 41 H -8.9585 0.9408 -1.0848 H 1 UNL1111111111 0.1366 42 H 4.8505 -0.9856 1.3528 H 1 UNL1111111111 0.1857 43 H 4.8604 -1.4612 -0.3420 H 1 UNL1111111111 0.1884 44 H -10.2887 -0.9394 0.9793 H 1 UNL1111111111 0.1335 45 H -10.2571 -1.2183 -0.7641 H 1 UNL1111111111 0.1335 46 H -11.5232 0.9469 -1.1374 H 1 UNL1111111111 0.1424 47 H -11.5492 1.2346 0.6061 H 1 UNL1111111111 0.1424 48 H -12.4221 -0.1424 -0.0755 H 1 UNL1111111111 0.1401 49 H 9.0380 -1.8008 -0.8480 H 1 UNL1111111111 0.1389 50 H 9.1854 -0.4325 0.3161 H 1 UNL1111111111 0.1319 51 H 8.8496 -0.1095 -1.4398 H 1 UNL1111111111 0.1298 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 16 1 5 2 19 1 6 5 6 1 7 5 7 1 8 5 20 1 9 5 21 1 10 6 8 1 11 6 22 1 12 6 23 1 13 7 9 1 14 7 24 1 15 7 25 1 16 8 10 1 17 8 26 1 18 8 27 1 19 9 11 1 20 9 28 1 21 9 29 1 22 10 12 1 23 10 30 1 24 10 31 1 25 11 13 1 26 11 32 1 27 11 33 1 28 12 14 1 29 12 34 1 30 12 35 1 31 13 15 1 32 13 36 1 33 13 37 1 34 14 16 1 35 14 38 1 36 14 39 1 37 15 17 1 38 15 40 1 39 15 41 1 40 16 42 1 41 16 43 1 42 17 18 1 43 17 44 1 44 17 45 1 45 18 46 1 46 18 47 1 47 18 48 1 48 19 49 1 49 19 50 1 50 19 51 1