@MOLECULE 1-amino-3-(decyloxy)-2-propanol 45 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2832 0.1012 0.0586 O.3 1 UNL1111111111 -0.4299 2 O 5.4669 1.8326 -0.3185 O.3 1 UNL1111111111 -0.5758 3 N 7.2649 -1.1787 0.6418 N.3 1 UNL1111111111 -0.6477 4 C -2.8565 -0.5099 -0.2643 C.3 1 UNL1111111111 -0.2717 5 C -1.5610 0.1278 0.2539 C.3 1 UNL1111111111 -0.2683 6 C -4.0817 0.2405 0.2735 C.3 1 UNL1111111111 -0.2730 7 C -0.3334 -0.6110 -0.2946 C.3 1 UNL1111111111 -0.2716 8 C -5.3769 -0.3814 -0.2637 C.3 1 UNL1111111111 -0.2751 9 C 0.9573 0.0643 0.1769 C.3 1 UNL1111111111 -0.2956 10 C -6.6026 0.3627 0.2810 C.3 1 UNL1111111111 -0.2720 11 C 2.1767 -0.6814 -0.3734 C.3 1 UNL1111111111 -0.0308 12 C -7.8993 -0.2566 -0.2573 C.3 1 UNL1111111111 -0.2512 13 C 4.5295 -0.3998 -0.4041 C.3 1 UNL1111111111 -0.0982 14 C 5.5574 0.5365 0.2473 C.3 1 UNL1111111111 0.1423 15 C -9.1226 0.4834 0.2841 C.3 1 UNL1111111111 -0.4397 16 C 7.0030 0.0916 -0.0662 C.3 1 UNL1111111111 -0.1419 17 H -2.8658 -0.5045 -1.3702 H 1 UNL1111111111 0.1361 18 H -2.9027 -1.5739 0.0336 H 1 UNL1111111111 0.1357 19 H -1.5223 1.1941 -0.0375 H 1 UNL1111111111 0.1390 20 H -1.5477 0.1148 1.3599 H 1 UNL1111111111 0.1383 21 H -4.0283 1.3080 -0.0114 H 1 UNL1111111111 0.1374 22 H -4.0828 0.2214 1.3792 H 1 UNL1111111111 0.1370 23 H -0.3701 -0.6317 -1.4004 H 1 UNL1111111111 0.1373 24 H -0.3533 -1.6679 0.0314 H 1 UNL1111111111 0.1365 25 H -5.4285 -1.4505 0.0156 H 1 UNL1111111111 0.1361 26 H -5.3792 -0.3561 -1.3692 H 1 UNL1111111111 0.1362 27 H 0.9890 1.1216 -0.1510 H 1 UNL1111111111 0.1520 28 H 1.0045 0.0975 1.2822 H 1 UNL1111111111 0.1518 29 H -6.6025 0.3365 1.3865 H 1 UNL1111111111 0.1367 30 H -6.5517 1.4320 0.0039 H 1 UNL1111111111 0.1368 31 H 2.2663 -1.6988 0.0452 H 1 UNL1111111111 0.1168 32 H 2.1671 -0.7332 -1.4756 H 1 UNL1111111111 0.1137 33 H -7.9005 -0.2301 -1.3632 H 1 UNL1111111111 0.1335 34 H -7.9514 -1.3263 0.0202 H 1 UNL1111111111 0.1334 35 H 4.5628 -0.3478 -1.5049 H 1 UNL1111111111 0.1280 36 H 4.6771 -1.4438 -0.0721 H 1 UNL1111111111 0.1474 37 H 5.3742 0.6326 1.3399 H 1 UNL1111111111 0.1326 38 H -9.1113 1.5404 -0.0042 H 1 UNL1111111111 0.1425 39 H -9.1649 0.4403 1.3781 H 1 UNL1111111111 0.1424 40 H -10.0519 0.0476 -0.0987 H 1 UNL1111111111 0.1400 41 H 7.1210 -0.0681 -1.1590 H 1 UNL1111111111 0.1519 42 H 7.7006 0.9134 0.2112 H 1 UNL1111111111 0.1351 43 H 4.5244 2.0952 -0.3882 H 1 UNL1111111111 0.3361 44 H 8.1229 -1.6059 0.3343 H 1 UNL1111111111 0.2512 45 H 7.3055 -1.0511 1.6401 H 1 UNL1111111111 0.2487 @BOND 1 1 11 1 2 1 13 1 3 2 14 1 4 2 43 1 5 3 16 1 6 3 44 1 7 3 45 1 8 4 5 1 9 4 6 1 10 4 17 1 11 4 18 1 12 5 7 1 13 5 19 1 14 5 20 1 15 6 8 1 16 6 21 1 17 6 22 1 18 7 9 1 19 7 23 1 20 7 24 1 21 8 10 1 22 8 25 1 23 8 26 1 24 9 11 1 25 9 27 1 26 9 28 1 27 10 12 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 15 1 33 12 33 1 34 12 34 1 35 13 14 1 36 13 35 1 37 13 36 1 38 14 16 1 39 14 37 1 40 15 38 1 41 15 39 1 42 15 40 1 43 16 41 1 44 16 42 1