@MOLECULE (4beta)-6'-methoxycinchonan-9-one 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1223 -0.3340 2.2955 O.2 1 UNL1111111111 -0.4094 2 O 3.1645 2.7864 0.1857 O.3 1 UNL1111111111 -0.2964 3 N -1.5610 0.3054 -0.4927 N.3 1 UNL1111111111 -0.3800 4 N 3.1128 -2.6349 -0.8109 N.ar 1 UNL1111111111 -0.3455 5 C -3.7646 0.2011 0.8629 C.3 1 UNL1111111111 -0.0869 6 C -4.0400 -0.0887 -0.6373 C.3 1 UNL1111111111 -0.1786 7 C -2.7689 -0.8583 1.3796 C.3 1 UNL1111111111 -0.3204 8 C -1.5446 -0.8616 0.4324 C.3 1 UNL1111111111 -0.0596 9 C -3.1056 1.5835 1.0241 C.3 1 UNL1111111111 -0.3201 10 C -2.7103 0.1341 -1.4189 C.3 1 UNL1111111111 -0.1175 11 C -1.7516 1.5647 0.2738 C.3 1 UNL1111111111 -0.1104 12 C -0.2216 -0.8213 1.2014 C.2 1 UNL1111111111 0.4513 13 C -5.1234 0.7940 -1.1669 C.2 1 UNL1111111111 -0.1304 14 C 0.9410 -1.4442 0.5090 C.ar 1 UNL1111111111 -0.0777 15 C -6.2846 0.3246 -1.6218 C.2 1 UNL1111111111 -0.3300 16 C 2.0409 -0.6316 0.1055 C.ar 1 UNL1111111111 0.0169 17 C 0.9555 -2.7914 0.2626 C.ar 1 UNL1111111111 -0.2039 18 C 3.1133 -1.2820 -0.5647 C.ar 1 UNL1111111111 0.0850 19 C 2.1146 0.7571 0.3379 C.ar 1 UNL1111111111 -0.2528 20 C 2.0831 -3.3540 -0.4110 C.ar 1 UNL1111111111 0.0404 21 C 4.2412 -0.5269 -0.9994 C.ar 1 UNL1111111111 -0.0847 22 C 3.2247 1.4578 -0.0961 C.ar 1 UNL1111111111 0.2451 23 C 4.2992 0.8226 -0.7701 C.ar 1 UNL1111111111 -0.2568 24 C 4.2874 3.5825 -0.1644 C.3 1 UNL1111111111 -0.2068 25 H -4.7131 0.1550 1.4352 H 1 UNL1111111111 0.1369 26 H -4.3368 -1.1602 -0.7345 H 1 UNL1111111111 0.1436 27 H -2.4683 -0.6176 2.4181 H 1 UNL1111111111 0.1706 28 H -3.2361 -1.8541 1.4210 H 1 UNL1111111111 0.1385 29 H -1.5626 -1.7896 -0.1974 H 1 UNL1111111111 0.1534 30 H -2.9527 1.8124 2.0931 H 1 UNL1111111111 0.1483 31 H -3.7619 2.3781 0.6357 H 1 UNL1111111111 0.1378 32 H -2.4987 -0.7237 -2.0880 H 1 UNL1111111111 0.1409 33 H -2.7691 1.0284 -2.0730 H 1 UNL1111111111 0.1476 34 H -1.6751 2.4100 -0.4399 H 1 UNL1111111111 0.1410 35 H -0.9085 1.6791 0.9874 H 1 UNL1111111111 0.1507 36 H -4.8992 1.8606 -1.1569 H 1 UNL1111111111 0.1444 37 H -7.0709 0.9563 -2.0055 H 1 UNL1111111111 0.1476 38 H -6.5443 -0.7219 -1.6481 H 1 UNL1111111111 0.1453 39 H 0.1427 -3.4453 0.5662 H 1 UNL1111111111 0.1653 40 H 1.3076 1.2729 0.8580 H 1 UNL1111111111 0.1888 41 H 2.1195 -4.4293 -0.6200 H 1 UNL1111111111 0.1690 42 H 5.0461 -1.0564 -1.5138 H 1 UNL1111111111 0.1732 43 H 5.1574 1.4006 -1.1006 H 1 UNL1111111111 0.1657 44 H 3.9889 4.5732 0.2063 H 1 UNL1111111111 0.1526 45 H 4.4259 3.6087 -1.2492 H 1 UNL1111111111 0.1332 46 H 5.1904 3.2421 0.3509 H 1 UNL1111111111 0.1349 @BOND 1 1 12 2 2 2 22 1 3 2 24 1 4 3 8 1 5 3 10 1 6 3 11 1 7 4 18 ar 8 4 20 ar 9 5 6 1 10 5 7 1 11 5 9 1 12 5 25 1 13 6 10 1 14 6 13 1 15 6 26 1 16 7 8 1 17 7 27 1 18 7 28 1 19 8 12 1 20 8 29 1 21 9 11 1 22 9 30 1 23 9 31 1 24 10 32 1 25 10 33 1 26 11 34 1 27 11 35 1 28 12 14 1 29 13 15 2 30 13 36 1 31 14 16 ar 32 14 17 ar 33 15 37 1 34 15 38 1 35 16 18 ar 36 16 19 ar 37 17 20 ar 38 17 39 1 39 18 21 ar 40 19 22 ar 41 19 40 1 42 20 41 1 43 21 23 ar 44 21 42 1 45 22 23 ar 46 23 43 1 47 24 44 1 48 24 45 1 49 24 46 1