@MOLECULE laurinterol 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.9455 -1.1490 -0.0527 Br 1 UNL111111111 -0.0702 2 O 1.3071 3.0653 0.0041 O.3 1 UNL111111111 -0.4800 3 C 2.3774 -1.2769 0.3128 C.3 1 UNL111111111 0.0004 4 C 3.5929 -1.6253 -0.5462 C.3 1 UNL111111111 -0.1695 5 C 2.2011 -1.9872 -1.0219 C.3 1 UNL111111111 -0.3471 6 C 2.1952 0.2537 0.2957 C.3 1 UNL111111111 0.0894 7 C 4.1824 -0.3405 -1.0867 C.3 1 UNL111111111 -0.2561 8 C 3.0754 0.7217 -0.9109 C.3 1 UNL111111111 -0.2929 9 C 2.0636 -1.9954 1.5910 C.3 1 UNL111111111 -0.4412 10 C 2.7566 0.8360 1.6049 C.3 1 UNL111111111 -0.4581 11 C 0.7647 0.6922 0.1282 C.ar 1 UNL111111111 -0.1859 12 C 0.4116 2.0490 0.0271 C.ar 1 UNL111111111 0.2995 13 C -0.2843 -0.2280 0.0871 C.ar 1 UNL111111111 -0.0880 14 C -0.9153 2.4813 -0.0612 C.ar 1 UNL111111111 -0.2793 15 C -1.6018 0.1957 -0.0139 C.ar 1 UNL111111111 -0.1249 16 C -1.9489 1.5468 -0.0818 C.ar 1 UNL111111111 0.1072 17 C -3.3609 1.9984 -0.1975 C.3 1 UNL111111111 -0.4559 18 H 4.2929 -2.4063 -0.2778 H 1 UNL111111111 0.1520 19 H 1.7653 -1.4583 -1.8636 H 1 UNL111111111 0.1648 20 H 1.8953 -3.0265 -1.0287 H 1 UNL111111111 0.1559 21 H 4.4959 -0.4342 -2.1373 H 1 UNL111111111 0.1440 22 H 5.0831 -0.0619 -0.5038 H 1 UNL111111111 0.1404 23 H 3.5042 1.7197 -0.7542 H 1 UNL111111111 0.1268 24 H 2.4556 0.7833 -1.8256 H 1 UNL111111111 0.1520 25 H 1.8877 -3.0687 1.4304 H 1 UNL111111111 0.1511 26 H 2.8868 -1.9119 2.3119 H 1 UNL111111111 0.1524 27 H 1.1619 -1.5869 2.0664 H 1 UNL111111111 0.1595 28 H 3.7497 0.4254 1.8171 H 1 UNL111111111 0.1553 29 H 2.8490 1.9268 1.5809 H 1 UNL111111111 0.1402 30 H 2.1074 0.5923 2.4551 H 1 UNL111111111 0.1593 31 H -0.0614 -1.2993 0.1324 H 1 UNL111111111 0.1807 32 H -1.1214 3.5490 -0.1152 H 1 UNL111111111 0.1830 33 H 2.2522 2.7574 0.0061 H 1 UNL111111111 0.3350 34 H -3.8403 1.5991 -1.1068 H 1 UNL111111111 0.1711 35 H -3.9671 1.6638 0.6605 H 1 UNL111111111 0.1707 36 H -3.4589 3.0868 -0.2445 H 1 UNL111111111 0.1583 @BOND 1 1 15 1 2 2 12 1 3 2 33 1 4 3 4 1 5 3 5 1 6 3 6 1 7 3 9 1 8 4 5 1 9 4 7 1 10 4 18 1 11 5 19 1 12 5 20 1 13 6 8 1 14 6 10 1 15 6 11 1 16 7 8 1 17 7 21 1 18 7 22 1 19 8 23 1 20 8 24 1 21 9 25 1 22 9 26 1 23 9 27 1 24 10 28 1 25 10 29 1 26 10 30 1 27 11 12 ar 28 11 13 ar 29 12 14 ar 30 13 15 ar 31 13 31 1 32 14 16 ar 33 14 32 1 34 15 16 ar 35 16 17 1 36 17 34 1 37 17 35 1 38 17 36 1