@MOLECULE (9s)-6'-methoxycinchonan-3,9-diol 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1314 1.7198 0.1206 O.3 1 UNL111111111 -0.5637 2 O 0.4828 -2.5601 -1.9162 O.3 1 UNL111111111 -0.5532 3 O -2.2497 2.9643 -0.6258 O.3 1 UNL111111111 -0.3051 4 N 2.6955 -1.3180 -0.6285 N.3 1 UNL111111111 -0.4089 5 N -3.5529 -2.1871 0.8321 N.ar 1 UNL111111111 -0.3579 6 C 2.5046 0.3699 1.3270 C.3 1 UNL111111111 -0.1368 7 C 1.3671 -1.4501 0.0399 C.3 1 UNL111111111 -0.0176 8 C 2.8586 1.1135 0.0075 C.3 1 UNL111111111 0.2575 9 C 1.1661 -0.3605 1.1187 C.3 1 UNL111111111 -0.3281 10 C 3.5958 -0.6765 1.6236 C.3 1 UNL111111111 -0.3276 11 C 2.8921 0.0604 -1.1404 C.3 1 UNL111111111 -0.1887 12 C 3.7429 -1.6027 0.3896 C.3 1 UNL111111111 -0.1189 13 C 0.2631 -1.4565 -1.0537 C.3 1 UNL111111111 0.1260 14 C 1.9079 2.2442 -0.2609 C.2 1 UNL111111111 -0.1843 15 C -1.0877 -1.6882 -0.4319 C.ar 1 UNL111111111 -0.0067 16 C 2.1588 3.4986 0.1093 C.2 1 UNL111111111 -0.2582 17 C -1.9810 -0.6014 -0.1809 C.ar 1 UNL111111111 -0.0157 18 C -1.4616 -2.9617 -0.0875 C.ar 1 UNL111111111 -0.1975 19 C -3.2017 -0.9047 0.4792 C.ar 1 UNL111111111 0.0837 20 C -1.7225 0.7378 -0.5480 C.ar 1 UNL111111111 -0.2852 21 C -2.7225 -3.1709 0.5464 C.ar 1 UNL111111111 0.0412 22 C -4.1212 0.1382 0.7991 C.ar 1 UNL111111111 -0.0727 23 C -2.6338 1.7240 -0.2215 C.ar 1 UNL111111111 0.2555 24 C -3.8419 1.4358 0.4630 C.ar 1 UNL111111111 -0.2677 25 C -3.1100 4.0515 -0.3187 C.3 1 UNL111111111 -0.2042 26 H 2.4307 1.1020 2.1572 H 1 UNL111111111 0.1539 27 H 1.3477 -2.4616 0.5278 H 1 UNL111111111 0.1542 28 H 0.8215 -0.8129 2.0647 H 1 UNL111111111 0.1511 29 H 0.3733 0.3565 0.8394 H 1 UNL111111111 0.1615 30 H 3.3196 -1.2618 2.5182 H 1 UNL111111111 0.1497 31 H 4.5526 -0.1919 1.8765 H 1 UNL111111111 0.1387 32 H 2.1253 0.2747 -1.9113 H 1 UNL111111111 0.1568 33 H 3.8648 0.1072 -1.6741 H 1 UNL111111111 0.1568 34 H 4.7372 -1.4883 -0.0854 H 1 UNL111111111 0.1362 35 H 3.6623 -2.6701 0.6815 H 1 UNL111111111 0.1437 36 H 0.2881 -0.5430 -1.6896 H 1 UNL111111111 0.1385 37 H 0.9903 1.9645 -0.7749 H 1 UNL111111111 0.1499 38 H 4.8292 1.0576 0.2848 H 1 UNL111111111 0.3150 39 H 1.4487 -2.6359 -2.1047 H 1 UNL111111111 0.3412 40 H 1.4824 4.3192 -0.0759 H 1 UNL111111111 0.1405 41 H 3.0662 3.7982 0.6179 H 1 UNL111111111 0.1587 42 H -0.8170 -3.8149 -0.2990 H 1 UNL111111111 0.1824 43 H -0.8227 0.9986 -1.1005 H 1 UNL111111111 0.1758 44 H -3.0390 -4.1825 0.8265 H 1 UNL111111111 0.1694 45 H -5.0446 -0.1350 1.3155 H 1 UNL111111111 0.1734 46 H -4.5376 2.2321 0.7099 H 1 UNL111111111 0.1652 47 H -3.2222 4.1720 0.7629 H 1 UNL111111111 0.1345 48 H -4.0783 3.9386 -0.8155 H 1 UNL111111111 0.1349 49 H -2.5611 4.9040 -0.7428 H 1 UNL111111111 0.1529 @BOND 1 1 8 1 2 1 38 1 3 2 13 1 4 2 39 1 5 3 23 1 6 3 25 1 7 4 7 1 8 4 11 1 9 4 12 1 10 5 19 ar 11 5 21 ar 12 6 8 1 13 6 9 1 14 6 10 1 15 6 26 1 16 7 9 1 17 7 13 1 18 7 27 1 19 8 11 1 20 8 14 1 21 9 28 1 22 9 29 1 23 10 12 1 24 10 30 1 25 10 31 1 26 11 32 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 15 1 31 13 36 1 32 14 16 2 33 14 37 1 34 15 17 ar 35 15 18 ar 36 16 40 1 37 16 41 1 38 17 19 ar 39 17 20 ar 40 18 21 ar 41 18 42 1 42 19 22 ar 43 20 23 ar 44 20 43 1 45 21 44 1 46 22 24 ar 47 22 45 1 48 23 24 ar 49 24 46 1 50 25 47 1 51 25 48 1 52 25 49 1