@MOLECULE 10-methylundecyl 2-amino-5-hydroxybenzoate 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9190 1.4608 0.4512 O.3 1 UNL1111111111 -0.4082 2 O 4.7374 1.9347 -0.7624 O.2 1 UNL1111111111 -0.5741 3 O 2.5467 -3.2782 1.0487 O.3 1 UNL1111111111 -0.4674 4 N 6.5234 -0.0857 -1.0677 N.pl3 1 UNL1111111111 -0.6116 5 C -4.5325 0.3278 -0.5020 C.3 1 UNL1111111111 -0.2725 6 C -3.6006 1.1709 0.3771 C.3 1 UNL1111111111 -0.2730 7 C -5.9313 0.2386 0.1207 C.3 1 UNL1111111111 -0.2726 8 C -6.8600 -0.6106 -0.7559 C.3 1 UNL1111111111 -0.2890 9 C -2.2052 1.2610 -0.2522 C.3 1 UNL1111111111 -0.2732 10 C -8.2791 -0.7013 -0.1627 C.3 1 UNL1111111111 -0.0597 11 C -1.2542 2.0666 0.6416 C.3 1 UNL1111111111 -0.2747 12 C 0.1422 2.1325 0.0120 C.3 1 UNL1111111111 -0.2620 13 C 1.1236 2.8692 0.9308 C.3 1 UNL1111111111 -0.2952 14 C -9.2474 -1.2441 -1.2227 C.3 1 UNL1111111111 -0.4574 15 C -8.3024 -1.6083 1.0734 C.3 1 UNL1111111111 -0.4533 16 C 2.5343 2.8418 0.3470 C.3 1 UNL1111111111 -0.0132 17 C 4.0591 1.1088 -0.1841 C.2 1 UNL1111111111 0.6383 18 C 4.3112 -0.3293 -0.0843 C.ar 1 UNL1111111111 -0.2703 19 C 5.5227 -0.8827 -0.5663 C.ar 1 UNL1111111111 0.2957 20 C 3.3314 -1.1662 0.4627 C.ar 1 UNL1111111111 -0.0824 21 C 5.7234 -2.2874 -0.4941 C.ar 1 UNL1111111111 -0.2703 22 C 3.5606 -2.5336 0.5141 C.ar 1 UNL1111111111 0.1467 23 C 4.7505 -3.1057 0.0415 C.ar 1 UNL1111111111 -0.1465 24 H -4.5955 0.7641 -1.5162 H 1 UNL1111111111 0.1359 25 H -4.1120 -0.6875 -0.6335 H 1 UNL1111111111 0.1375 26 H -3.5337 0.7297 1.3891 H 1 UNL1111111111 0.1368 27 H -4.0217 2.1841 0.5150 H 1 UNL1111111111 0.1348 28 H -5.8647 -0.1946 1.1360 H 1 UNL1111111111 0.1374 29 H -6.3539 1.2521 0.2499 H 1 UNL1111111111 0.1351 30 H -6.9097 -0.1749 -1.7717 H 1 UNL1111111111 0.1366 31 H -6.4404 -1.6250 -0.8842 H 1 UNL1111111111 0.1390 32 H -2.2708 1.7259 -1.2534 H 1 UNL1111111111 0.1352 33 H -1.7983 0.2447 -0.4157 H 1 UNL1111111111 0.1413 34 H -8.6120 0.3218 0.1347 H 1 UNL1111111111 0.1284 35 H -1.1972 1.6028 1.6444 H 1 UNL1111111111 0.1385 36 H -1.6516 3.0854 0.7998 H 1 UNL1111111111 0.1324 37 H 0.0926 2.6296 -0.9741 H 1 UNL1111111111 0.1346 38 H 0.5169 1.1072 -0.1845 H 1 UNL1111111111 0.1530 39 H 1.1271 2.3979 1.9348 H 1 UNL1111111111 0.1567 40 H 0.8038 3.9165 1.0833 H 1 UNL1111111111 0.1433 41 H -9.3083 -0.5746 -2.0877 H 1 UNL1111111111 0.1410 42 H -8.9322 -2.2280 -1.5857 H 1 UNL1111111111 0.1444 43 H -10.2594 -1.3503 -0.8173 H 1 UNL1111111111 0.1425 44 H -9.3097 -1.6745 1.4976 H 1 UNL1111111111 0.1406 45 H -7.9793 -2.6259 0.8291 H 1 UNL1111111111 0.1442 46 H -7.6385 -1.2318 1.8587 H 1 UNL1111111111 0.1423 47 H 3.2559 3.4377 0.9308 H 1 UNL1111111111 0.1321 48 H 2.5724 3.1544 -0.7111 H 1 UNL1111111111 0.1400 49 H 2.3909 -0.7579 0.8440 H 1 UNL1111111111 0.1899 50 H 6.6536 -2.7111 -0.8629 H 1 UNL1111111111 0.1620 51 H 4.9011 -4.1817 0.0966 H 1 UNL1111111111 0.1538 52 H 6.3466 0.8977 -1.2074 H 1 UNL1111111111 0.3382 53 H 7.3170 -0.4838 -1.5147 H 1 UNL1111111111 0.3008 54 H 2.7746 -4.2354 1.0737 H 1 UNL1111111111 0.3176 @BOND 1 1 16 1 2 1 17 1 3 2 17 2 4 3 22 1 5 3 54 1 6 4 19 1 7 4 52 1 8 4 53 1 9 5 6 1 10 5 7 1 11 5 24 1 12 5 25 1 13 6 9 1 14 6 26 1 15 6 27 1 16 7 8 1 17 7 28 1 18 7 29 1 19 8 10 1 20 8 30 1 21 8 31 1 22 9 11 1 23 9 32 1 24 9 33 1 25 10 14 1 26 10 15 1 27 10 34 1 28 11 12 1 29 11 35 1 30 11 36 1 31 12 13 1 32 12 37 1 33 12 38 1 34 13 16 1 35 13 39 1 36 13 40 1 37 14 41 1 38 14 42 1 39 14 43 1 40 15 44 1 41 15 45 1 42 15 46 1 43 16 47 1 44 16 48 1 45 17 18 1 46 18 19 ar 47 18 20 ar 48 19 21 ar 49 20 22 ar 50 20 49 1 51 21 23 ar 52 21 50 1 53 22 23 ar 54 23 51 1