@MOLECULE methyl 8-(3-methoxy-3-methylbutyl)-2-methyl-4-quinolinecarboxylate 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3719 -0.8725 0.4882 O.3 1 UNL1111111111 -0.4122 2 O 4.4396 -0.8501 -0.9965 O.3 1 UNL1111111111 -0.3934 3 O 4.6409 0.8356 0.4806 O.2 1 UNL1111111111 -0.4721 4 N -0.1609 -0.9234 0.6019 N.ar 1 UNL1111111111 -0.3911 5 C -4.2406 0.0453 -0.5858 C.3 1 UNL1111111111 0.3210 6 C -2.8001 0.5780 -0.7129 C.3 1 UNL1111111111 -0.3231 7 C -2.2318 1.0309 0.6395 C.3 1 UNL1111111111 -0.2695 8 C -0.7931 1.4047 0.4793 C.ar 1 UNL1111111111 0.0220 9 C -5.2245 1.1525 -0.1728 C.3 1 UNL1111111111 -0.4774 10 C -4.6805 -0.5988 -1.9087 C.3 1 UNL1111111111 -0.5099 11 C 0.2173 0.3886 0.4423 C.ar 1 UNL1111111111 0.1387 12 C 1.5770 0.7529 0.2443 C.ar 1 UNL1111111111 -0.0597 13 C -0.4208 2.7206 0.3453 C.ar 1 UNL1111111111 -0.1701 14 C 2.5282 -0.3049 0.1829 C.ar 1 UNL1111111111 -0.0653 15 C 1.9150 2.1239 0.1166 C.ar 1 UNL1111111111 -0.1524 16 C 0.9359 3.0824 0.1693 C.ar 1 UNL1111111111 -0.1281 17 C -3.5978 -2.0520 0.4171 C.3 1 UNL1111111111 -0.2027 18 C 0.7493 -1.8804 0.5606 C.ar 1 UNL1111111111 0.2247 19 C 2.1363 -1.6083 0.3350 C.ar 1 UNL1111111111 -0.2023 20 C 3.9595 -0.0014 -0.0496 C.2 1 UNL1111111111 0.5862 21 C 0.2942 -3.2887 0.7538 C.3 1 UNL1111111111 -0.4472 22 C 5.8121 -0.6857 -1.3404 C.3 1 UNL1111111111 -0.1707 23 H -2.1462 -0.2099 -1.1375 H 1 UNL1111111111 0.1556 24 H -2.7755 1.4120 -1.4366 H 1 UNL1111111111 0.1436 25 H -2.3430 0.2075 1.3838 H 1 UNL1111111111 0.1842 26 H -2.8258 1.8714 1.0467 H 1 UNL1111111111 0.1469 27 H -5.6317 -1.1277 -1.7799 H 1 UNL1111111111 0.1563 28 H -4.8187 0.1536 -2.6902 H 1 UNL1111111111 0.1497 29 H -3.9471 -1.3248 -2.2725 H 1 UNL1111111111 0.1503 30 H -5.1642 2.0099 -0.8464 H 1 UNL1111111111 0.1471 31 H -6.2548 0.7796 -0.1765 H 1 UNL1111111111 0.1528 32 H -5.0173 1.4965 0.8481 H 1 UNL1111111111 0.1595 33 H -1.1722 3.5095 0.3712 H 1 UNL1111111111 0.1589 34 H 2.9624 2.4062 -0.0096 H 1 UNL1111111111 0.1766 35 H 1.1894 4.1383 0.0769 H 1 UNL1111111111 0.1559 36 H -3.9336 -2.6902 -0.4033 H 1 UNL1111111111 0.1134 37 H -2.5265 -1.8278 0.3300 H 1 UNL1111111111 0.1490 38 H -3.8026 -2.5298 1.3831 H 1 UNL1111111111 0.1369 39 H 2.8440 -2.4337 0.2823 H 1 UNL1111111111 0.1805 40 H 0.7825 -3.7486 1.6256 H 1 UNL1111111111 0.1663 41 H -0.7940 -3.3511 0.9238 H 1 UNL1111111111 0.1767 42 H 0.5226 -3.9070 -0.1262 H 1 UNL1111111111 0.1649 43 H 5.9960 0.3316 -1.7022 H 1 UNL1111111111 0.1426 44 H 6.4452 -0.9047 -0.4743 H 1 UNL1111111111 0.1401 45 H 5.9533 -1.4239 -2.1385 H 1 UNL1111111111 0.1467 @BOND 1 1 5 1 2 1 17 1 3 2 20 1 4 2 22 1 5 3 20 2 6 4 11 ar 7 4 18 ar 8 5 6 1 9 5 9 1 10 5 10 1 11 6 7 1 12 6 23 1 13 6 24 1 14 7 8 1 15 7 25 1 16 7 26 1 17 8 11 ar 18 8 13 ar 19 9 30 1 20 9 31 1 21 9 32 1 22 10 27 1 23 10 28 1 24 10 29 1 25 11 12 ar 26 12 14 ar 27 12 15 ar 28 13 16 ar 29 13 33 1 30 14 19 ar 31 14 20 1 32 15 16 ar 33 15 34 1 34 16 35 1 35 17 36 1 36 17 37 1 37 17 38 1 38 18 19 ar 39 18 21 1 40 19 39 1 41 21 40 1 42 21 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1