@MOLECULE dimethyl(undecyl)amine oxide 44 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.2616 0.8933 1.0878 O.3 1 UNL1 -0.7292 2 N 5.3898 0.0648 0.0946 N.4 1 UNL1 0.3920 3 C 1.5925 -0.6153 -0.1723 C.3 1 UNL1 -0.2744 4 C 0.3694 0.3043 -0.0571 C.3 1 UNL1 -0.2655 5 C 2.8854 0.2015 -0.0989 C.3 1 UNL1 -0.2784 6 C -0.9262 -0.5106 -0.1576 C.3 1 UNL1 -0.2741 7 C 4.1022 -0.7299 -0.1097 C.3 1 UNL1 -0.2146 8 C -2.1541 0.3970 -0.0117 C.3 1 UNL1 -0.2716 9 C -3.4472 -0.4251 -0.0867 C.3 1 UNL1 -0.2735 10 C -4.6757 0.4821 0.0570 C.3 1 UNL1 -0.2742 11 C -5.9685 -0.3399 -0.0173 C.3 1 UNL1 -0.2726 12 C 6.5133 -0.9105 0.3872 C.3 1 UNL1 -0.3850 13 C 5.7316 0.8217 -1.1704 C.3 1 UNL1 -0.3817 14 C -7.1987 0.5658 0.1281 C.3 1 UNL1 -0.2507 15 C -8.4874 -0.2547 0.0714 C.3 1 UNL1 -0.4399 16 H 1.5513 -1.1835 -1.1196 H 1 UNL1 0.1312 17 H 1.5696 -1.3690 0.6380 H 1 UNL1 0.1387 18 H 0.3964 1.0759 -0.8484 H 1 UNL1 0.1364 19 H 0.3998 0.8535 0.9039 H 1 UNL1 0.1443 20 H 2.9314 0.9287 -0.9285 H 1 UNL1 0.1388 21 H 2.9137 0.8172 0.8310 H 1 UNL1 0.1880 22 H -0.9644 -1.0455 -1.1243 H 1 UNL1 0.1330 23 H -0.9417 -1.2940 0.6231 H 1 UNL1 0.1368 24 H 4.1651 -1.3039 -1.0511 H 1 UNL1 0.1322 25 H 4.0141 -1.4508 0.7319 H 1 UNL1 0.1579 26 H -2.1502 1.1704 -0.8017 H 1 UNL1 0.1361 27 H -2.1091 0.9433 0.9493 H 1 UNL1 0.1392 28 H -3.4926 -0.9742 -1.0454 H 1 UNL1 0.1351 29 H -3.4521 -1.1966 0.7057 H 1 UNL1 0.1366 30 H -4.6306 1.0311 1.0161 H 1 UNL1 0.1374 31 H -4.6714 1.2535 -0.7352 H 1 UNL1 0.1362 32 H -5.9730 -1.1124 0.7739 H 1 UNL1 0.1366 33 H -6.0154 -0.8889 -0.9758 H 1 UNL1 0.1358 34 H 7.4604 -0.3578 0.4915 H 1 UNL1 0.1711 35 H 6.6089 -1.6700 -0.3933 H 1 UNL1 0.1407 36 H 6.3299 -1.3901 1.3630 H 1 UNL1 0.1741 37 H 5.8879 0.1497 -2.0187 H 1 UNL1 0.1409 38 H 6.6364 1.4271 -0.9969 H 1 UNL1 0.1727 39 H 4.9245 1.5349 -1.4020 H 1 UNL1 0.1718 40 H -7.1474 1.1237 1.0820 H 1 UNL1 0.1341 41 H -7.2019 1.3314 -0.6705 H 1 UNL1 0.1334 42 H -8.5822 -0.7855 -0.8823 H 1 UNL1 0.1419 43 H -8.5205 -1.0038 0.8703 H 1 UNL1 0.1423 44 H -9.3703 0.3842 0.1823 H 1 UNL1 0.1401 @BOND 1 37 13 1 2 39 13 1 3 13 38 1 4 13 2 1 5 22 6 1 6 16 3 1 7 24 7 1 8 28 9 1 9 33 11 1 10 20 5 1 11 42 15 1 12 18 4 1 13 26 8 1 14 31 10 1 15 41 14 1 16 35 12 1 17 3 5 1 18 3 4 1 19 3 17 1 20 6 4 1 21 6 8 1 22 6 23 1 23 7 5 1 24 7 2 1 25 7 25 1 26 5 21 1 27 9 8 1 28 9 10 1 29 9 29 1 30 4 19 1 31 11 10 1 32 11 14 1 33 11 32 1 34 8 27 1 35 10 30 1 36 15 14 1 37 15 44 1 38 15 43 1 39 2 12 1 40 2 1 1 41 14 40 1 42 12 34 1 43 12 36 1