@MOLECULE hydroxy(dimethyl)undecylammonium 44 43 0 0 0 SMALL USER_CHARGES @ATOM 1 N -5.3941 0.0771 0.0320 N.4 1 UNL111111111 0.3920 2 O -5.3580 0.6781 1.1840 O.3 1 UNL111111111 -0.7292 3 C -5.5962 1.0902 -1.0737 C.3 1 UNL111111111 -0.3813 4 C -6.5522 -0.9010 0.0026 C.3 1 UNL111111111 -0.3854 5 C -4.1037 -0.7038 -0.2041 C.3 1 UNL111111111 -0.2143 6 C -2.8791 0.1896 0.0155 C.3 1 UNL111111111 -0.2803 7 C -1.5963 -0.6454 -0.0440 C.3 1 UNL111111111 -0.2730 8 C -0.3660 0.2626 0.0786 C.3 1 UNL111111111 -0.2665 9 C 0.9271 -0.5529 -0.0440 C.3 1 UNL111111111 -0.2739 10 C 2.1518 0.3642 0.0651 C.3 1 UNL111111111 -0.2721 11 C 3.4494 -0.4440 -0.0601 C.3 1 UNL111111111 -0.2732 12 C 4.6721 0.4744 0.0601 C.3 1 UNL111111111 -0.2744 13 C 5.9716 -0.3322 -0.0566 C.3 1 UNL111111111 -0.2724 14 C 7.1934 0.5885 0.0637 C.3 1 UNL111111111 -0.2508 15 C 8.4937 -0.2075 -0.0494 C.3 1 UNL111111111 -0.4399 16 H -5.5990 0.6214 -2.0615 H 1 UNL111111111 0.1411 17 H -6.5436 1.6275 -0.9077 H 1 UNL111111111 0.1706 18 H -4.8002 1.8509 -1.0214 H 1 UNL111111111 0.1738 19 H -6.4439 -1.6192 0.8314 H 1 UNL111111111 0.1721 20 H -7.4921 -0.3575 0.1907 H 1 UNL111111111 0.1727 21 H -6.6132 -1.4323 -0.9510 H 1 UNL111111111 0.1408 22 H -4.1115 -1.1380 -1.2198 H 1 UNL111111111 0.1320 23 H -4.0805 -1.5386 0.5302 H 1 UNL111111111 0.1600 24 H -2.9744 0.6964 1.0046 H 1 UNL111111111 0.1871 25 H -2.8429 1.0042 -0.7292 H 1 UNL111111111 0.1375 26 H -1.5522 -1.2155 -0.9901 H 1 UNL111111111 0.1313 27 H -1.5918 -1.3960 0.7694 H 1 UNL111111111 0.1407 28 H -0.3875 0.7967 1.0480 H 1 UNL111111111 0.1438 29 H -0.3927 1.0471 -0.7005 H 1 UNL111111111 0.1354 30 H 0.9454 -1.0955 -1.0072 H 1 UNL111111111 0.1332 31 H 0.9633 -1.3290 0.7430 H 1 UNL111111111 0.1376 32 H 2.1342 0.9054 1.0298 H 1 UNL111111111 0.1390 33 H 2.1140 1.1420 -0.7202 H 1 UNL111111111 0.1357 34 H 3.4710 -0.9783 -1.0280 H 1 UNL111111111 0.1352 35 H 3.4863 -1.2264 0.7206 H 1 UNL111111111 0.1370 36 H 4.6469 1.0132 1.0258 H 1 UNL111111111 0.1373 37 H 4.6385 1.2539 -0.7236 H 1 UNL111111111 0.1360 38 H 5.9985 -0.8717 -1.0213 H 1 UNL111111111 0.1359 39 H 6.0070 -1.1112 0.7275 H 1 UNL111111111 0.1367 40 H 7.1651 1.1290 1.0288 H 1 UNL111111111 0.1340 41 H 7.1577 1.3675 -0.7211 H 1 UNL111111111 0.1334 42 H 9.3682 0.4469 0.0365 H 1 UNL111111111 0.1401 43 H 8.5698 -0.9640 0.7395 H 1 UNL111111111 0.1424 44 H 8.5641 -0.7263 -1.0117 H 1 UNL111111111 0.1419 @BOND 1 16 3 1 2 22 5 1 3 3 18 1 4 3 17 1 5 3 1 1 6 34 11 1 7 38 13 1 8 44 15 1 9 30 9 1 10 26 7 1 11 21 4 1 12 25 6 1 13 37 12 1 14 41 14 1 15 33 10 1 16 29 8 1 17 5 6 1 18 5 1 1 19 5 23 1 20 11 12 1 21 11 10 1 22 11 35 1 23 13 12 1 24 13 14 1 25 13 39 1 26 15 42 1 27 15 14 1 28 15 43 1 29 9 10 1 30 9 8 1 31 9 31 1 32 7 6 1 33 7 8 1 34 7 27 1 35 4 1 1 36 4 20 1 37 4 19 1 38 6 24 1 39 1 2 1 40 12 36 1 41 14 40 1 42 10 32 1 43 8 28 1