@MOLECULE (r)-6-allyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4955 1.5448 -0.0991 O.3 1 UNL1111111111 -0.4994 2 O 5.3021 -0.4638 -0.0667 O.3 1 UNL1111111111 -0.4528 3 N -2.4137 -1.0982 -0.7547 N.3 1 UNL1111111111 -0.4216 4 C -0.9699 -0.7541 -0.7250 C.3 1 UNL1111111111 0.0489 5 C -0.6886 0.6659 -0.2859 C.ar 1 UNL1111111111 -0.0881 6 C -0.1744 -1.7394 0.1592 C.3 1 UNL1111111111 -0.2995 7 C -3.1219 -0.0560 -1.5290 C.3 1 UNL1111111111 -0.1067 8 C -1.6811 1.6435 -0.3391 C.ar 1 UNL1111111111 0.0201 9 C -3.0357 1.3512 -0.9021 C.3 1 UNL1111111111 -0.3328 10 C 0.5934 0.9848 0.1902 C.ar 1 UNL1111111111 0.0088 11 C 1.2784 -1.3921 0.1258 C.ar 1 UNL1111111111 0.0080 12 C 1.6422 -0.0307 0.1139 C.ar 1 UNL1111111111 -0.1138 13 C -3.0096 -1.2704 0.5973 C.3 1 UNL1111111111 -0.1337 14 C -1.4198 2.9233 0.1616 C.ar 1 UNL1111111111 -0.1885 15 C 0.8222 2.2456 0.7453 C.ar 1 UNL1111111111 -0.1980 16 C 2.2442 -2.3922 0.1171 C.ar 1 UNL1111111111 -0.1627 17 C 2.9957 0.2803 0.0027 C.ar 1 UNL1111111111 0.1497 18 C -0.1828 3.2111 0.7254 C.ar 1 UNL1111111111 -0.1247 19 C -4.4608 -1.6419 0.4816 C.2 1 UNL1111111111 -0.1110 20 C 3.9738 -0.7354 0.0018 C.ar 1 UNL1111111111 0.1961 21 C 3.6021 -2.0726 0.0698 C.ar 1 UNL1111111111 -0.1906 22 C -5.3865 -1.1910 1.3263 C.2 1 UNL1111111111 -0.3491 23 H -0.6108 -0.8742 -1.7910 H 1 UNL1111111111 0.1636 24 H -0.3649 -2.7753 -0.1884 H 1 UNL1111111111 0.1681 25 H -0.5263 -1.6980 1.2127 H 1 UNL1111111111 0.1623 26 H -4.1848 -0.3595 -1.6450 H 1 UNL1111111111 0.1470 27 H -2.6896 -0.0463 -2.5550 H 1 UNL1111111111 0.1445 28 H -3.7990 1.4496 -0.1002 H 1 UNL1111111111 0.1613 29 H -3.3079 2.1105 -1.6629 H 1 UNL1111111111 0.1586 30 H -2.4835 -2.1189 1.1012 H 1 UNL1111111111 0.1545 31 H -2.8631 -0.3766 1.2439 H 1 UNL1111111111 0.1345 32 H -2.1925 3.6884 0.1222 H 1 UNL1111111111 0.1556 33 H 1.7732 2.4703 1.2304 H 1 UNL1111111111 0.1693 34 H 1.9443 -3.4385 0.1423 H 1 UNL1111111111 0.1587 35 H 0.0040 4.1949 1.1549 H 1 UNL1111111111 0.1535 36 H -4.6895 -2.3308 -0.3323 H 1 UNL1111111111 0.1547 37 H 4.3661 -2.8468 0.0730 H 1 UNL1111111111 0.1728 38 H 2.8365 2.1609 -0.5146 H 1 UNL1111111111 0.3482 39 H -6.4260 -1.4736 1.2735 H 1 UNL1111111111 0.1463 40 H -5.1844 -0.5096 2.1374 H 1 UNL1111111111 0.1469 41 H 5.4547 0.5165 -0.1370 H 1 UNL1111111111 0.3411 @BOND 1 1 17 1 2 1 38 1 3 2 20 1 4 2 41 1 5 3 4 1 6 3 7 1 7 3 13 1 8 4 5 1 9 4 6 1 10 4 23 1 11 5 8 ar 12 5 10 ar 13 6 11 1 14 6 24 1 15 6 25 1 16 7 9 1 17 7 26 1 18 7 27 1 19 8 9 1 20 8 14 ar 21 9 28 1 22 9 29 1 23 10 12 1 24 10 15 ar 25 11 12 ar 26 11 16 ar 27 12 17 ar 28 13 19 1 29 13 30 1 30 13 31 1 31 14 18 ar 32 14 32 1 33 15 18 ar 34 15 33 1 35 16 21 ar 36 16 34 1 37 17 20 ar 38 18 35 1 39 19 22 2 40 19 36 1 41 20 21 ar 42 21 37 1 43 22 39 1 44 22 40 1