@MOLECULE 3-[(2s)-2-hydroxy-3-methylbutyl]-4,8-dimethoxy-1-methyl-2(1h)-quinolinone 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.0532 -0.5992 1.7795 O.3 1 UNL111111111 -0.5648 2 O -0.5802 -2.5391 -0.0945 O.3 1 UNL111111111 -0.3232 3 O -0.9721 2.1646 -0.5854 O.2 1 UNL111111111 -0.5312 4 O 3.8047 1.5523 0.0942 O.3 1 UNL111111111 -0.3153 5 N 1.0730 1.2709 -0.2658 N.ar 1 UNL111111111 -0.3913 6 C -3.0737 0.3860 0.7550 C.3 1 UNL111111111 0.1549 7 C -4.5422 0.7903 0.4796 C.3 1 UNL111111111 -0.1188 8 C -2.3820 -0.2989 -0.4375 C.3 1 UNL111111111 -0.2623 9 C -0.9004 -0.1940 -0.3361 C.ar 1 UNL111111111 -0.2032 10 C -0.0798 -1.2620 -0.1851 C.ar 1 UNL111111111 0.2593 11 C 1.3450 -1.1171 -0.0139 C.ar 1 UNL111111111 -0.1525 12 C 1.9019 0.1778 -0.0504 C.ar 1 UNL111111111 0.1594 13 C -0.3295 1.1472 -0.4029 C.ar 1 UNL111111111 0.5738 14 C -4.5910 1.9686 -0.4947 C.3 1 UNL111111111 -0.4508 15 C -5.3590 -0.3930 -0.0431 C.3 1 UNL111111111 -0.4470 16 C 3.3211 0.2781 0.1404 C.ar 1 UNL111111111 0.1530 17 C 2.1528 -2.2498 0.2146 C.ar 1 UNL111111111 -0.1154 18 C 1.6260 2.6292 -0.3399 C.3 1 UNL111111111 -0.2340 19 C 4.1003 -0.8396 0.3493 C.ar 1 UNL111111111 -0.2319 20 C 3.5098 -2.1159 0.3901 C.ar 1 UNL111111111 -0.1575 21 C -0.7146 -3.1525 -1.3754 C.3 1 UNL111111111 -0.1970 22 C 5.1953 1.7292 0.3270 C.3 1 UNL111111111 -0.2037 23 H -2.4925 1.2676 1.1095 H 1 UNL111111111 0.1309 24 H -4.9841 1.1174 1.4540 H 1 UNL111111111 0.1282 25 H -2.7029 -1.3658 -0.4569 H 1 UNL111111111 0.1759 26 H -2.7321 0.1624 -1.3853 H 1 UNL111111111 0.1617 27 H -4.2606 1.6826 -1.4999 H 1 UNL111111111 0.1484 28 H -3.9341 2.7867 -0.1703 H 1 UNL111111111 0.1560 29 H -5.6054 2.3687 -0.5845 H 1 UNL111111111 0.1388 30 H -5.2017 -1.2797 0.5864 H 1 UNL111111111 0.1568 31 H -6.4298 -0.1679 -0.0464 H 1 UNL111111111 0.1361 32 H -5.0769 -0.6644 -1.0652 H 1 UNL111111111 0.1408 33 H -3.4061 -0.2412 2.6125 H 1 UNL111111111 0.3063 34 H 1.6753 -3.2308 0.2641 H 1 UNL111111111 0.1725 35 H 0.8245 3.3693 -0.5451 H 1 UNL111111111 0.1845 36 H 2.3641 2.7079 -1.1577 H 1 UNL111111111 0.1545 37 H 2.1007 2.9119 0.6169 H 1 UNL111111111 0.1568 38 H 5.1748 -0.7605 0.4905 H 1 UNL111111111 0.1614 39 H 4.1381 -2.9860 0.5667 H 1 UNL111111111 0.1542 40 H -1.1342 -4.1341 -1.1230 H 1 UNL111111111 0.1489 41 H 0.2618 -3.2580 -1.8584 H 1 UNL111111111 0.1307 42 H -1.4062 -2.5884 -2.0089 H 1 UNL111111111 0.1336 43 H 5.7890 1.2384 -0.4500 H 1 UNL111111111 0.1339 44 H 5.4750 1.3824 1.3267 H 1 UNL111111111 0.1363 45 H 5.3003 2.8207 0.2571 H 1 UNL111111111 0.1528 @BOND 1 42 21 1 2 41 21 1 3 27 14 1 4 26 8 1 5 21 40 1 6 21 2 1 7 36 18 1 8 32 15 1 9 3 13 2 10 29 14 1 11 35 18 1 12 14 28 1 13 14 7 1 14 25 8 1 15 43 22 1 16 8 9 1 17 8 6 1 18 13 9 ar 19 13 5 ar 20 18 5 1 21 18 37 1 22 9 10 ar 23 5 12 ar 24 10 2 1 25 10 11 ar 26 12 11 ar 27 12 16 ar 28 31 15 1 29 15 7 1 30 15 30 1 31 11 17 ar 32 4 16 1 33 4 22 1 34 16 19 ar 35 17 34 1 36 17 20 ar 37 45 22 1 38 22 44 1 39 19 20 ar 40 19 38 1 41 20 39 1 42 7 6 1 43 7 24 1 44 6 23 1 45 6 1 1 46 1 33 1