@MOLECULE (8alpha,9r)-6'-methoxycinchonan-3,9-diol 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2431 1.5480 1.3919 O.3 1 UNL1111111111 -0.5631 2 O -0.2131 -1.7938 -2.4711 O.3 1 UNL1111111111 -0.5458 3 O 3.6126 2.6047 -0.6034 O.3 1 UNL1111111111 -0.3111 4 N -1.3293 -0.1703 0.6515 N.3 1 UNL1111111111 -0.3868 5 N 2.8881 -2.5511 1.1988 N.ar 1 UNL1111111111 -0.3596 6 C -3.1016 1.1378 -0.7097 C.3 1 UNL1111111111 -0.1471 7 C -1.4656 -0.7660 -0.7023 C.3 1 UNL1111111111 -0.0072 8 C -3.7442 0.5156 0.5644 C.3 1 UNL1111111111 0.2524 9 C -2.4953 0.0132 -1.5674 C.3 1 UNL1111111111 -0.3314 10 C -1.9566 2.0756 -0.2850 C.3 1 UNL1111111111 -0.3177 11 C -2.6427 -0.2751 1.3350 C.3 1 UNL1111111111 -0.1804 12 C -0.9519 1.2617 0.5671 C.3 1 UNL1111111111 -0.1235 13 C -0.0888 -0.8419 -1.4219 C.3 1 UNL1111111111 0.1231 14 C -4.9263 -0.3433 0.2242 C.2 1 UNL1111111111 -0.1959 15 C 0.9823 -1.4171 -0.5343 C.ar 1 UNL1111111111 0.0265 16 C -6.1856 0.0357 0.4328 C.2 1 UNL1111111111 -0.2589 17 C 2.1191 -0.6451 -0.1410 C.ar 1 UNL1111111111 -0.0099 18 C 0.8598 -2.7114 -0.0955 C.ar 1 UNL1111111111 -0.1898 19 C 3.0388 -1.2590 0.7513 C.ar 1 UNL1111111111 0.0878 20 C 2.3844 0.6704 -0.5852 C.ar 1 UNL1111111111 -0.2860 21 C 1.8491 -3.2471 0.7812 C.ar 1 UNL1111111111 0.0447 22 C 4.1784 -0.5382 1.2171 C.ar 1 UNL1111111111 -0.0709 23 C 3.4972 1.3399 -0.1137 C.ar 1 UNL1111111111 0.2524 24 C 4.4059 0.7452 0.7979 C.ar 1 UNL1111111111 -0.2690 25 C 4.7760 3.3396 -0.2522 C.3 1 UNL1111111111 -0.2027 26 H -3.8759 1.6962 -1.2744 H 1 UNL1111111111 0.1508 27 H -1.8197 -1.8221 -0.5617 H 1 UNL1111111111 0.1554 28 H -3.2833 -0.6652 -1.9348 H 1 UNL1111111111 0.1446 29 H -2.0287 0.4442 -2.4691 H 1 UNL1111111111 0.1432 30 H -2.3414 2.9455 0.2711 H 1 UNL1111111111 0.1375 31 H -1.4597 2.4971 -1.1760 H 1 UNL1111111111 0.1471 32 H -2.5419 0.1116 2.3707 H 1 UNL1111111111 0.1603 33 H -2.9082 -1.3452 1.4444 H 1 UNL1111111111 0.1540 34 H 0.0750 1.3309 0.1531 H 1 UNL1111111111 0.1516 35 H -0.8809 1.6630 1.5989 H 1 UNL1111111111 0.1417 36 H 0.1971 0.1360 -1.8666 H 1 UNL1111111111 0.1307 37 H -4.6724 -1.3084 -0.2101 H 1 UNL1111111111 0.1467 38 H -3.5243 2.1340 1.6983 H 1 UNL1111111111 0.3177 39 H -0.8182 -1.4658 -3.1644 H 1 UNL1111111111 0.3128 40 H -7.0406 -0.5781 0.1946 H 1 UNL1111111111 0.1401 41 H -6.4544 0.9914 0.8673 H 1 UNL1111111111 0.1641 42 H 0.0221 -3.3348 -0.4017 H 1 UNL1111111111 0.1744 43 H 1.7312 1.1565 -1.3060 H 1 UNL1111111111 0.1731 44 H 1.7644 -4.2767 1.1472 H 1 UNL1111111111 0.1679 45 H 4.8539 -1.0434 1.9114 H 1 UNL1111111111 0.1723 46 H 5.2688 1.2986 1.1550 H 1 UNL1111111111 0.1639 47 H 4.6330 4.2760 -0.8090 H 1 UNL1111111111 0.1508 48 H 5.6829 2.8308 -0.5927 H 1 UNL1111111111 0.1354 49 H 4.8029 3.5375 0.8236 H 1 UNL1111111111 0.1338 @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