@MOLECULE 2-(dodecyloxy)ethyl hydrogen sulfate 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.6002 -1.4160 -0.0465 S.O2 1 UNL1111111111 2.5462 2 O -3.5800 1.3925 0.3161 O.3 1 UNL1111111111 -0.4503 3 O -6.2268 0.1038 -0.3347 O.3 1 UNL1111111111 -0.7271 4 O -4.0572 -1.1214 -0.4803 O.3 1 UNL1111111111 -0.8346 5 O -5.6503 -1.6204 1.3719 O.2 1 UNL1111111111 -0.8940 6 O -6.2003 -2.3168 -0.9789 O.2 1 UNL1111111111 -0.8237 7 C 3.6761 0.1471 0.2854 C.3 1 UNL1111111111 -0.2732 8 C 5.0315 0.5419 -0.3144 C.3 1 UNL1111111111 -0.2723 9 C 2.5574 1.0387 -0.2687 C.3 1 UNL1111111111 -0.2718 10 C 6.1539 -0.3287 0.2648 C.3 1 UNL1111111111 -0.2718 11 C 1.1998 0.6149 0.3066 C.3 1 UNL1111111111 -0.2658 12 C 7.5092 0.0618 -0.3380 C.3 1 UNL1111111111 -0.2750 13 C 0.0794 1.5103 -0.2381 C.3 1 UNL1111111111 -0.2747 14 C 8.6327 -0.8006 0.2508 C.3 1 UNL1111111111 -0.2719 15 C -1.2804 1.0463 0.2893 C.3 1 UNL1111111111 -0.3050 16 C 9.9918 -0.4006 -0.3389 C.3 1 UNL1111111111 -0.2511 17 C -2.3946 1.9312 -0.2712 C.3 1 UNL1111111111 -0.0279 18 C 11.1150 -1.2516 0.2535 C.3 1 UNL1111111111 -0.4396 19 C -4.7802 1.9976 -0.1551 C.3 1 UNL1111111111 -0.0890 20 C -5.9052 1.1872 0.5020 C.3 1 UNL1111111111 0.0265 21 H 3.7123 0.2261 1.3880 H 1 UNL1111111111 0.1374 22 H 3.4602 -0.9151 0.0642 H 1 UNL1111111111 0.1388 23 H 5.0030 0.4401 -1.4153 H 1 UNL1111111111 0.1366 24 H 5.2389 1.6094 -0.1133 H 1 UNL1111111111 0.1358 25 H 2.5375 0.9787 -1.3728 H 1 UNL1111111111 0.1371 26 H 2.7613 2.0977 -0.0250 H 1 UNL1111111111 0.1352 27 H 6.1848 -0.2240 1.3653 H 1 UNL1111111111 0.1367 28 H 5.9457 -1.3968 0.0672 H 1 UNL1111111111 0.1375 29 H 0.9968 -0.4434 0.0540 H 1 UNL1111111111 0.1417 30 H 1.2224 0.6642 1.4114 H 1 UNL1111111111 0.1396 31 H 7.7140 1.1318 -0.1478 H 1 UNL1111111111 0.1360 32 H 7.4816 -0.0511 -1.4377 H 1 UNL1111111111 0.1364 33 H 0.0873 1.4894 -1.3449 H 1 UNL1111111111 0.1398 34 H 0.2652 2.5625 0.0495 H 1 UNL1111111111 0.1388 35 H 8.4349 -1.8701 0.0507 H 1 UNL1111111111 0.1370 36 H 8.6537 -0.6975 1.3515 H 1 UNL1111111111 0.1366 37 H -1.4607 -0.0147 0.0178 H 1 UNL1111111111 0.1626 38 H -1.3000 1.0729 1.3970 H 1 UNL1111111111 0.1571 39 H 10.1876 0.6710 -0.1457 H 1 UNL1111111111 0.1333 40 H 9.9736 -0.5113 -1.4396 H 1 UNL1111111111 0.1336 41 H -2.4623 1.8743 -1.3714 H 1 UNL1111111111 0.1224 42 H -2.2939 2.9836 0.0434 H 1 UNL1111111111 0.1201 43 H 10.9630 -2.3166 0.0453 H 1 UNL1111111111 0.1426 44 H 12.0883 -0.9703 -0.1634 H 1 UNL1111111111 0.1402 45 H 11.1761 -1.1337 1.3410 H 1 UNL1111111111 0.1424 46 H -4.8305 1.9401 -1.2584 H 1 UNL1111111111 0.1460 47 H -4.7960 3.0534 0.1640 H 1 UNL1111111111 0.1286 48 H -5.6425 0.8643 1.5305 H 1 UNL1111111111 0.1570 49 H -6.8495 1.7706 0.5360 H 1 UNL1111111111 0.1491 50 H -3.7033 -0.2377 -0.2003 H 1 UNL1111111111 0.4099 @BOND 1 1 3 1 2 1 4 1 3 1 5 2 4 1 6 2 5 2 17 1 6 2 19 1 7 3 20 1 8 4 50 1 9 7 8 1 10 7 9 1 11 7 21 1 12 7 22 1 13 8 10 1 14 8 23 1 15 8 24 1 16 9 11 1 17 9 25 1 18 9 26 1 19 10 12 1 20 10 27 1 21 10 28 1 22 11 13 1 23 11 29 1 24 11 30 1 25 12 14 1 26 12 31 1 27 12 32 1 28 13 15 1 29 13 33 1 30 13 34 1 31 14 16 1 32 14 35 1 33 14 36 1 34 15 17 1 35 15 37 1 36 15 38 1 37 16 18 1 38 16 39 1 39 16 40 1 40 17 41 1 41 17 42 1 42 18 43 1 43 18 44 1 44 18 45 1 45 19 20 1 46 19 46 1 47 19 47 1 48 20 48 1 49 20 49 1