@MOLECULE dodecyltrimethylammonium 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.7285 0.6973 0.0039 C.3 1 UNL1111 -0.2352 2 C -3.4820 -0.1870 0.0046 C.3 1 UNL1111 -0.2818 3 C -2.2129 0.6780 0.0034 C.3 1 UNL1111 -0.2734 4 C -0.9649 -0.2136 0.0008 C.3 1 UNL1111 -0.2707 5 C 0.3174 0.6281 -0.0018 C.3 1 UNL1111 -0.2725 6 C 1.5519 -0.2830 -0.0024 C.3 1 UNL1111 -0.2732 7 C 2.8434 0.5435 -0.0038 C.3 1 UNL1111 -0.2717 8 C 4.0723 -0.3752 -0.0018 C.3 1 UNL1111 -0.2723 9 C 5.3639 0.4514 -0.0016 C.3 1 UNL1111 -0.2748 10 C 6.5970 -0.4607 0.0004 C.3 1 UNL1111 -0.2721 11 C 7.8832 0.3764 0.0016 C.3 1 UNL1111 -0.2510 12 C 9.1209 -0.5203 0.0028 C.3 1 UNL1111 -0.4400 13 C -6.1640 -0.9989 1.2502 C.3 1 UNL1111 -0.3849 14 C -7.2372 0.8881 -0.0007 C.3 1 UNL1111 -0.3994 15 C -6.1589 -0.9954 -1.2548 C.3 1 UNL1111 -0.3852 16 N -6.0579 -0.1145 -0.0006 N.4 1 UNL1111 -0.0471 17 H -4.7434 1.3456 0.8959 H 1 UNL1111 0.1272 18 H -4.7403 1.3510 -0.8839 H 1 UNL1111 0.1273 19 H -3.4807 -0.8531 -0.8782 H 1 UNL1111 0.1378 20 H -3.4811 -0.8511 0.8889 H 1 UNL1111 0.1377 21 H -2.2053 1.3428 0.8866 H 1 UNL1111 0.1360 22 H -2.2079 1.3435 -0.8791 H 1 UNL1111 0.1360 23 H -0.9801 -0.8793 -0.8826 H 1 UNL1111 0.1359 24 H -0.9766 -0.8804 0.8833 H 1 UNL1111 0.1359 25 H 0.3369 1.2946 0.8801 H 1 UNL1111 0.1361 26 H 0.3344 1.2930 -0.8848 H 1 UNL1111 0.1361 27 H 1.5289 -0.9504 -0.8840 H 1 UNL1111 0.1362 28 H 1.5304 -0.9474 0.8816 H 1 UNL1111 0.1362 29 H 2.8678 1.2103 0.8781 H 1 UNL1111 0.1362 30 H 2.8679 1.2080 -0.8873 H 1 UNL1111 0.1363 31 H 4.0491 -1.0414 -0.8841 H 1 UNL1111 0.1363 32 H 4.0474 -1.0397 0.8816 H 1 UNL1111 0.1363 33 H 5.3856 1.1185 0.8803 H 1 UNL1111 0.1363 34 H 5.3872 1.1153 -0.8859 H 1 UNL1111 0.1362 35 H 6.5795 -1.1269 -0.8818 H 1 UNL1111 0.1363 36 H 6.5773 -1.1276 0.8820 H 1 UNL1111 0.1364 37 H 7.8992 1.0429 0.8845 H 1 UNL1111 0.1335 38 H 7.9008 1.0423 -0.8820 H 1 UNL1111 0.1335 39 H 9.1440 -1.1688 0.8856 H 1 UNL1111 0.1423 40 H 9.1487 -1.1656 -0.8822 H 1 UNL1111 0.1422 41 H 10.0415 0.0735 0.0064 H 1 UNL1111 0.1398 42 H -6.0349 -0.3867 2.1460 H 1 UNL1111 0.1354 43 H -7.1443 -1.4805 1.2839 H 1 UNL1111 0.1334 44 H -5.3926 -1.7724 1.2326 H 1 UNL1111 0.1348 45 H -7.1836 1.5172 -0.8907 H 1 UNL1111 0.1330 46 H -8.1845 0.3464 -0.0017 H 1 UNL1111 0.1326 47 H -7.1858 1.5166 0.8900 H 1 UNL1111 0.1329 48 H -5.3908 -1.7720 -1.2343 H 1 UNL1111 0.1347 49 H -7.1408 -1.4729 -1.2962 H 1 UNL1111 0.1333 50 H -6.0216 -0.3813 -2.1481 H 1 UNL1111 0.1354 @BOND 1 1 2 1 2 1 16 1 3 1 17 1 4 1 18 1 5 2 3 1 6 2 19 1 7 2 20 1 8 3 4 1 9 3 21 1 10 3 22 1 11 4 5 1 12 4 23 1 13 4 24 1 14 5 6 1 15 5 25 1 16 5 26 1 17 6 7 1 18 6 27 1 19 6 28 1 20 7 8 1 21 7 29 1 22 7 30 1 23 8 9 1 24 8 31 1 25 8 32 1 26 9 10 1 27 9 33 1 28 9 34 1 29 10 11 1 30 10 35 1 31 10 36 1 32 11 12 1 33 11 37 1 34 11 38 1 35 12 39 1 36 12 40 1 37 12 41 1 38 13 16 1 39 13 42 1 40 13 43 1 41 13 44 1 42 14 16 1 43 14 45 1 44 14 46 1 45 14 47 1 46 15 16 1 47 15 48 1 48 15 49 1 49 15 50 1