@MOLECULE 3-(dodecylamino)-1-propanesulfonic acid 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 S 7.9150 0.3207 0.0231 S.O2 1 UNL11 2.3932 2 O 8.9779 -0.9472 -0.1256 O.3 1 UNL11 -0.8557 3 O 8.2630 0.9684 1.2597 O.2 1 UNL11 -0.9025 4 O 7.9274 1.0571 -1.2095 O.2 1 UNL11 -0.8829 5 N 2.7227 0.0662 -0.0290 N.3 1 UNL11 -0.5543 6 C -3.5426 -0.5316 -0.0106 C.3 1 UNL11 -0.2725 7 C -4.7696 0.3885 0.0150 C.3 1 UNL11 -0.2734 8 C -2.2466 0.2882 -0.0199 C.3 1 UNL11 -0.2683 9 C -6.0598 -0.4405 -0.0016 C.3 1 UNL11 -0.2722 10 C -1.0240 -0.6384 -0.0166 C.3 1 UNL11 -0.2730 11 C -7.2951 0.4681 0.0303 C.3 1 UNL11 -0.2720 12 C 0.2709 0.1790 -0.0474 C.3 1 UNL11 -0.2830 13 C -8.5779 -0.3718 -0.0015 C.3 1 UNL11 -0.2749 14 C 1.4918 -0.7572 -0.0181 C.3 1 UNL11 -0.1177 15 C -9.8211 0.5257 0.0237 C.3 1 UNL11 -0.2719 16 C -11.0976 -0.3258 0.0021 C.3 1 UNL11 -0.2511 17 C 3.9429 -0.7719 -0.0367 C.3 1 UNL11 -0.1064 18 C 5.1699 0.1642 -0.0223 C.3 1 UNL11 -0.2652 19 C 6.4425 -0.6568 0.1715 C.3 1 UNL11 -0.5798 20 C -12.3452 0.5567 0.0262 C.3 1 UNL11 -0.4397 21 H -3.5809 -1.1873 -0.9005 H 1 UNL11 0.1361 22 H -3.5587 -1.2066 0.8654 H 1 UNL11 0.1364 23 H -4.7436 1.0322 0.9139 H 1 UNL11 0.1372 24 H -4.7480 1.0761 -0.8508 H 1 UNL11 0.1371 25 H -2.2153 0.9611 0.8574 H 1 UNL11 0.1390 26 H -2.2220 0.9470 -0.9080 H 1 UNL11 0.1375 27 H -6.0767 -1.1305 0.8627 H 1 UNL11 0.1362 28 H -6.0857 -1.0820 -0.9023 H 1 UNL11 0.1362 29 H -1.0444 -1.2861 0.8803 H 1 UNL11 0.1384 30 H -1.0652 -1.3209 -0.8863 H 1 UNL11 0.1361 31 H -7.2767 1.1649 -0.8282 H 1 UNL11 0.1368 32 H -7.2773 1.1018 0.9363 H 1 UNL11 0.1368 33 H 0.2981 0.8214 -0.9465 H 1 UNL11 0.1381 34 H 0.3159 0.8711 0.8171 H 1 UNL11 0.1567 35 H -8.5903 -1.0085 -0.9059 H 1 UNL11 0.1362 36 H -8.5966 -1.0667 0.8588 H 1 UNL11 0.1362 37 H 1.4866 -1.3560 0.9196 H 1 UNL11 0.1411 38 H 1.4463 -1.4764 -0.8632 H 1 UNL11 0.1104 39 H -9.8096 1.1670 0.9244 H 1 UNL11 0.1367 40 H -9.8108 1.2156 -0.8402 H 1 UNL11 0.1366 41 H 2.7187 0.7125 -0.8165 H 1 UNL11 0.2546 42 H 3.9313 -1.4001 0.8816 H 1 UNL11 0.1402 43 H 3.9924 -1.4628 -0.9044 H 1 UNL11 0.1092 44 H -11.1075 -0.9698 -0.8975 H 1 UNL11 0.1335 45 H -11.1055 -1.0150 0.8676 H 1 UNL11 0.1334 46 H 5.2008 0.7508 -0.9643 H 1 UNL11 0.1575 47 H 5.0373 0.9077 0.7952 H 1 UNL11 0.1696 48 H 6.4220 -1.1587 1.1628 H 1 UNL11 0.1872 49 H 6.4778 -1.4882 -0.5666 H 1 UNL11 0.1885 50 H -12.3772 1.1800 0.9267 H 1 UNL11 0.1424 51 H -12.3792 1.2259 -0.8406 H 1 UNL11 0.1424 52 H -13.2590 -0.0473 0.0115 H 1 UNL11 0.1401 53 H 9.9031 -0.7869 0.0849 H 1 UNL11 0.3891 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 19 1 5 2 53 1 6 5 14 1 7 5 17 1 8 5 41 1 9 6 7 1 10 6 8 1 11 6 21 1 12 6 22 1 13 7 9 1 14 7 23 1 15 7 24 1 16 8 10 1 17 8 25 1 18 8 26 1 19 9 11 1 20 9 27 1 21 9 28 1 22 10 12 1 23 10 29 1 24 10 30 1 25 11 13 1 26 11 31 1 27 11 32 1 28 12 14 1 29 12 33 1 30 12 34 1 31 13 15 1 32 13 35 1 33 13 36 1 34 14 37 1 35 14 38 1 36 15 16 1 37 15 39 1 38 15 40 1 39 16 20 1 40 16 44 1 41 16 45 1 42 17 18 1 43 17 42 1 44 17 43 1 45 18 19 1 46 18 46 1 47 18 47 1 48 19 48 1 49 19 49 1 50 20 50 1 51 20 51 1 52 20 52 1