@MOLECULE (5e)-6,10-dimethyl-2-(4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-2-yl)-5,9-undecadien-2-ol 62 64 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.3540 2.1292 0.3730 O.3 1 UNL11 -0.3119 2 O 0.1334 1.5484 -2.0326 O.3 1 UNL11 -0.5659 3 O -5.7316 0.5073 0.1631 O.2 1 UNL11 -0.4555 4 N -4.4998 0.3340 0.2088 N.ar 1 UNL11 0.3669 5 C -0.0341 1.4951 0.3731 C.3 1 UNL11 0.0362 6 C 0.7100 2.0787 -0.8518 C.3 1 UNL11 0.2976 7 C -0.2590 -0.0367 0.2984 C.3 1 UNL11 -0.2752 8 C 2.1626 1.5854 -0.9172 C.3 1 UNL11 -0.3140 9 C -1.7467 -0.1389 0.2785 C.ar 1 UNL11 -0.2185 10 C -2.2818 1.1392 0.3156 C.ar 1 UNL11 0.2344 11 C 0.5864 3.6008 -0.8809 C.3 1 UNL11 -0.4994 12 C -2.6096 -1.2413 0.2061 C.ar 1 UNL11 0.0857 13 C 3.0611 2.1690 0.1818 C.3 1 UNL11 -0.2596 14 C -3.6607 1.4067 0.2810 C.ar 1 UNL11 -0.1252 15 C -4.0051 -0.9858 0.1728 C.ar 1 UNL11 -0.0966 16 C 4.2650 1.2944 0.3179 C.2 1 UNL11 -0.2213 17 C -2.1641 -2.5899 0.1600 C.ar 1 UNL11 -0.1916 18 C -4.2232 2.7782 0.3122 C.3 1 UNL11 -0.3967 19 C -4.9247 -2.0659 0.0984 C.ar 1 UNL11 -0.0699 20 C 4.4781 0.4295 1.3181 C.2 1 UNL11 0.0365 21 C -3.0688 -3.6176 0.0882 C.ar 1 UNL11 -0.0884 22 C -4.4617 -3.3555 0.0578 C.ar 1 UNL11 -0.1955 23 C 5.6881 -0.4603 1.3081 C.3 1 UNL11 -0.2870 24 C 3.5623 0.2685 2.4865 C.3 1 UNL11 -0.4514 25 C 5.3226 -1.8561 0.7607 C.3 1 UNL11 -0.2558 26 C 4.9015 -1.7655 -0.6701 C.2 1 UNL11 -0.2294 27 C 3.6556 -1.9711 -1.1176 C.2 1 UNL11 0.0519 28 C 2.5117 -2.3483 -0.2330 C.3 1 UNL11 -0.4565 29 C 3.3197 -1.8297 -2.5664 C.3 1 UNL11 -0.4591 30 H 0.4165 1.8193 1.3290 H 1 UNL11 0.1450 31 H 0.1929 -0.5624 1.1566 H 1 UNL11 0.1550 32 H 0.1910 -0.4725 -0.6183 H 1 UNL11 0.1795 33 H 2.5763 1.8286 -1.9174 H 1 UNL11 0.1650 34 H 2.1812 0.4758 -0.8744 H 1 UNL11 0.1641 35 H 1.0660 4.0077 -1.7802 H 1 UNL11 0.1639 36 H 1.0519 4.0688 -0.0087 H 1 UNL11 0.1543 37 H -0.4638 3.9194 -0.9050 H 1 UNL11 0.1632 38 H 3.3662 3.2030 -0.0804 H 1 UNL11 0.1455 39 H 2.5130 2.2607 1.1380 H 1 UNL11 0.1385 40 H -0.8379 1.6713 -2.0254 H 1 UNL11 0.3278 41 H 4.9687 1.3750 -0.5095 H 1 UNL11 0.1487 42 H -1.0930 -2.7804 0.1819 H 1 UNL11 0.1621 43 H -4.7304 3.0267 -0.6358 H 1 UNL11 0.1693 44 H -4.9862 2.8824 1.1040 H 1 UNL11 0.1734 45 H -3.4481 3.5368 0.4917 H 1 UNL11 0.1620 46 H -5.9960 -1.8394 0.0741 H 1 UNL11 0.1843 47 H -2.7312 -4.6533 0.0525 H 1 UNL11 0.1489 48 H -5.1547 -4.1922 0.0006 H 1 UNL11 0.1583 49 H 6.1110 -0.5568 2.3267 H 1 UNL11 0.1415 50 H 6.4999 -0.0233 0.6934 H 1 UNL11 0.1463 51 H 2.5061 0.2731 2.1843 H 1 UNL11 0.1517 52 H 3.7356 -0.6700 3.0287 H 1 UNL11 0.1497 53 H 3.7034 1.0885 3.2064 H 1 UNL11 0.1569 54 H 6.2001 -2.5291 0.8512 H 1 UNL11 0.1396 55 H 4.5367 -2.3091 1.3950 H 1 UNL11 0.1411 56 H 5.7045 -1.4908 -1.3511 H 1 UNL11 0.1449 57 H 2.5892 -1.0209 -2.7248 H 1 UNL11 0.1647 58 H 2.6590 -3.3500 0.1954 H 1 UNL11 0.1544 59 H 2.4138 -1.6438 0.6069 H 1 UNL11 0.1573 60 H 4.1942 -1.5942 -3.1859 H 1 UNL11 0.1499 61 H 2.8783 -2.7531 -2.9665 H 1 UNL11 0.1562 62 H 1.5524 -2.3633 -0.7664 H 1 UNL11 0.1520 @BOND 1 60 29 1 2 61 29 1 3 57 29 1 4 29 27 1 5 2 40 1 6 2 6 1 7 33 8 1 8 35 11 1 9 56 26 1 10 27 26 2 11 27 28 1 12 8 34 1 13 8 6 1 14 8 13 1 15 37 11 1 16 11 6 1 17 11 36 1 18 6 5 1 19 62 28 1 20 26 25 1 21 43 18 1 22 32 7 1 23 41 16 1 24 28 58 1 25 28 59 1 26 38 13 1 27 48 22 1 28 47 21 1 29 22 21 ar 30 22 19 ar 31 46 19 1 32 21 17 ar 33 19 15 ar 34 17 42 1 35 17 12 ar 36 3 4 2 37 15 12 ar 38 15 4 ar 39 13 16 1 40 13 39 1 41 12 9 ar 42 4 14 ar 43 9 7 1 44 9 10 ar 45 14 18 1 46 14 10 ar 47 7 5 1 48 7 31 1 49 18 45 1 50 18 44 1 51 10 1 1 52 16 20 2 53 1 5 1 54 5 30 1 55 50 23 1 56 25 54 1 57 25 23 1 58 25 55 1 59 23 20 1 60 23 49 1 61 20 24 1 62 51 24 1 63 24 52 1 64 24 53 1