@MOLECULE 1-ethyl-1,2,3,4,4a,5,5a,9a-octahydrobenzo[g]quinoline-6,7-diol 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4182 1.0766 1.5416 O.2 1 UNL111111111 -0.4928 2 O 4.7586 -0.1269 -0.5657 O.2 1 UNL111111111 -0.4578 3 N -2.9130 -0.2355 0.0432 N.pl3 1 UNL111111111 -0.4453 4 C -0.9666 1.2463 0.2922 C.3 1 UNL111111111 -0.1225 5 C 0.5472 1.3143 0.0560 C.3 1 UNL111111111 -0.2889 6 C 1.2489 0.1585 0.7871 C.3 1 UNL111111111 -0.1305 7 C -1.5032 -0.1494 0.0354 C.2 1 UNL111111111 0.2128 8 C 0.7866 -1.1914 0.1786 C.3 1 UNL111111111 -0.0811 9 C -1.6612 2.2939 -0.5929 C.3 1 UNL111111111 -0.2742 10 C -3.1732 2.1885 -0.4023 C.3 1 UNL111111111 -0.2855 11 C -0.6928 -1.2261 -0.0225 C.2 1 UNL111111111 -0.3737 12 C -3.6299 0.7696 -0.7739 C.3 1 UNL111111111 -0.0830 13 C 2.7271 0.3102 0.6432 C.2 1 UNL111111111 0.0437 14 C 1.5004 -1.5213 -1.1074 C.2 1 UNL111111111 -0.1298 15 C -3.5160 -1.5825 -0.0724 C.3 1 UNL111111111 -0.0721 16 C 3.4210 -0.2678 -0.3622 C.2 1 UNL111111111 0.1607 17 C 2.7582 -1.1145 -1.3391 C.2 1 UNL111111111 -0.1846 18 C -3.4707 -2.2698 1.2990 C.3 1 UNL111111111 -0.4501 19 H -1.1834 1.4810 1.3676 H 1 UNL111111111 0.1560 20 H 0.7715 1.2473 -1.0283 H 1 UNL111111111 0.1604 21 H 0.9441 2.2890 0.3892 H 1 UNL111111111 0.1387 22 H 0.9616 0.1690 1.8675 H 1 UNL111111111 0.1505 23 H 1.0605 -2.0009 0.9170 H 1 UNL111111111 0.1573 24 H -1.3943 2.1363 -1.6550 H 1 UNL111111111 0.1454 25 H -1.3052 3.3081 -0.3345 H 1 UNL111111111 0.1417 26 H -3.4452 2.4093 0.6482 H 1 UNL111111111 0.1523 27 H -3.7048 2.9320 -1.0228 H 1 UNL111111111 0.1404 28 H -1.0733 -2.2225 -0.2203 H 1 UNL111111111 0.1574 29 H -4.7197 0.6678 -0.5672 H 1 UNL111111111 0.1370 30 H -3.4788 0.5911 -1.8609 H 1 UNL111111111 0.1213 31 H 0.9448 -2.1366 -1.8092 H 1 UNL111111111 0.1520 32 H -4.5758 -1.4891 -0.3974 H 1 UNL111111111 0.1310 33 H -3.0095 -2.2053 -0.8425 H 1 UNL111111111 0.1251 34 H 3.3267 -1.3774 -2.2278 H 1 UNL111111111 0.1697 35 H -2.4399 -2.3828 1.6584 H 1 UNL111111111 0.1600 36 H -4.0005 -1.6723 2.0513 H 1 UNL111111111 0.1558 37 H -3.9307 -3.2610 1.2598 H 1 UNL111111111 0.1421 38 H 2.8075 1.6528 2.0554 H 1 UNL111111111 0.3273 39 H 5.1488 0.4724 0.1225 H 1 UNL111111111 0.3331 @BOND 1 1 13 1 2 1 38 1 3 2 16 1 4 2 39 1 5 3 7 1 6 3 12 1 7 3 15 1 8 4 5 1 9 4 7 1 10 4 9 1 11 4 19 1 12 5 6 1 13 5 20 1 14 5 21 1 15 6 8 1 16 6 13 1 17 6 22 1 18 7 11 2 19 8 11 1 20 8 14 1 21 8 23 1 22 9 10 1 23 9 24 1 24 9 25 1 25 10 12 1 26 10 26 1 27 10 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 16 2 32 14 17 2 33 14 31 1 34 15 18 1 35 15 32 1 36 15 33 1 37 16 17 1 38 17 34 1 39 18 35 1 40 18 36 1 41 18 37 1