@MOLECULE dodecyl(hydroxy)dimethylammonium 47 46 0 0 0 SMALL USER_CHARGES @ATOM 1 N -5.9920 -0.1218 0.0305 N.4 1 UNL111111111 0.3917 2 O -5.9546 -0.6712 1.2081 O.3 1 UNL111111111 -0.7294 3 C -7.1671 0.8328 -0.0506 C.3 1 UNL111111111 -0.3854 4 C -6.1671 -1.1855 -1.0312 C.3 1 UNL111111111 -0.3812 5 C -4.7133 0.6715 -0.2276 C.3 1 UNL111111111 -0.2139 6 C -3.4756 -0.1982 0.0135 C.3 1 UNL111111111 -0.2810 7 C -2.2069 0.6593 -0.0298 C.3 1 UNL111111111 -0.2726 8 C -0.9607 -0.2282 0.0836 C.3 1 UNL111111111 -0.2666 9 C 0.3190 0.6109 -0.0204 C.3 1 UNL111111111 -0.2737 10 C 1.5583 -0.2894 0.0620 C.3 1 UNL111111111 -0.2733 11 C 2.8435 0.5390 -0.0551 C.3 1 UNL111111111 -0.2726 12 C 4.0789 -0.3655 0.0392 C.3 1 UNL111111111 -0.2719 13 C 5.3656 0.4625 -0.0681 C.3 1 UNL111111111 -0.2750 14 C 6.5997 -0.4419 0.0362 C.3 1 UNL111111111 -0.2720 15 C 7.8910 0.3807 -0.0659 C.3 1 UNL111111111 -0.2511 16 C 9.1185 -0.5250 0.0374 C.3 1 UNL111111111 -0.4397 17 H -7.2315 1.3189 -1.0276 H 1 UNL111111111 0.1409 18 H -8.0983 0.2815 0.1572 H 1 UNL111111111 0.1728 19 H -7.0770 1.5892 0.7456 H 1 UNL111111111 0.1721 20 H -5.3633 -1.9336 -0.9340 H 1 UNL111111111 0.1741 21 H -7.1106 -1.7262 -0.8547 H 1 UNL111111111 0.1704 22 H -6.1613 -0.7613 -2.0389 H 1 UNL111111111 0.1412 23 H -4.7030 1.5257 0.4846 H 1 UNL111111111 0.1607 24 H -4.7286 1.0779 -1.2546 H 1 UNL111111111 0.1318 25 H -3.4144 -1.0134 -0.7289 H 1 UNL111111111 0.1368 26 H -3.5748 -0.7016 1.0042 H 1 UNL111111111 0.1873 27 H -2.2185 1.3979 0.7945 H 1 UNL111111111 0.1412 28 H -2.1700 1.2451 -0.9665 H 1 UNL111111111 0.1313 29 H -0.9707 -1.0003 -0.7082 H 1 UNL111111111 0.1352 30 H -0.9767 -0.7787 1.0439 H 1 UNL111111111 0.1438 31 H 0.3454 1.3668 0.7864 H 1 UNL111111111 0.1377 32 H 0.3259 1.1786 -0.9690 H 1 UNL111111111 0.1332 33 H 1.5266 -1.0524 -0.7380 H 1 UNL111111111 0.1356 34 H 1.5550 -0.8504 1.0154 H 1 UNL111111111 0.1391 35 H 2.8743 1.3065 0.7408 H 1 UNL111111111 0.1370 36 H 2.8523 1.0925 -1.0122 H 1 UNL111111111 0.1351 37 H 4.0514 -1.1294 -0.7600 H 1 UNL111111111 0.1361 38 H 4.0673 -0.9245 0.9936 H 1 UNL111111111 0.1375 39 H 5.3896 1.2296 0.7282 H 1 UNL111111111 0.1366 40 H 5.3813 1.0181 -1.0239 H 1 UNL111111111 0.1357 41 H 6.5768 -1.2087 -0.7603 H 1 UNL111111111 0.1363 42 H 6.5821 -0.9977 0.9922 H 1 UNL111111111 0.1369 43 H 7.9169 1.1462 0.7324 H 1 UNL111111111 0.1337 44 H 7.9110 0.9382 -1.0210 H 1 UNL111111111 0.1332 45 H 10.0463 0.0531 -0.0328 H 1 UNL111111111 0.1399 46 H 9.1380 -1.0650 0.9907 H 1 UNL111111111 0.1426 47 H 9.1337 -1.2713 -0.7648 H 1 UNL111111111 0.1422 @BOND 1 22 4 1 2 24 5 1 3 4 20 1 4 4 21 1 5 4 1 1 6 17 3 1 7 40 13 1 8 44 15 1 9 36 11 1 10 32 9 1 11 28 7 1 12 47 16 1 13 41 14 1 14 37 12 1 15 33 10 1 16 25 6 1 17 29 8 1 18 5 6 1 19 5 1 1 20 5 23 1 21 13 14 1 22 13 12 1 23 13 39 1 24 15 14 1 25 15 16 1 26 15 43 1 27 11 12 1 28 11 10 1 29 11 35 1 30 3 1 1 31 3 18 1 32 3 19 1 33 45 16 1 34 7 6 1 35 7 8 1 36 7 27 1 37 9 10 1 38 9 8 1 39 9 31 1 40 6 26 1 41 1 2 1 42 14 42 1 43 16 46 1 44 12 38 1 45 10 34 1 46 8 30 1