@MOLECULE (11s,13beta)-3-methoxy-1,2-didehydrocrinan-11-ol 41 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9246 -1.8370 2.1956 O.3 1 UNL111111111 -0.5515 2 O 2.9982 2.1814 -0.6896 O.3 1 UNL111111111 -0.3676 3 O -3.8949 1.3990 1.0877 O.3 1 UNL111111111 -0.3354 4 O -4.6235 0.2200 -0.8217 O.3 1 UNL111111111 -0.3413 5 N 1.2438 -1.7389 -1.2182 N.3 1 UNL111111111 -0.3999 6 C 0.7808 -0.3009 0.6285 C.3 1 UNL111111111 -0.0797 7 C 1.6007 -0.3835 -0.7070 C.3 1 UNL111111111 0.0418 8 C 0.9260 -1.7470 1.2218 C.3 1 UNL111111111 0.1353 9 C 1.2772 -2.6216 -0.0169 C.3 1 UNL111111111 -0.1892 10 C 3.1051 -0.2344 -0.4779 C.3 1 UNL111111111 -0.3487 11 C -0.6629 -0.1420 0.2200 C.ar 1 UNL111111111 -0.0316 12 C -0.1380 -1.6502 -1.7582 C.3 1 UNL111111111 -0.1275 13 C 1.3114 0.7189 1.5700 C.2 1 UNL111111111 -0.1145 14 C -1.0963 -0.8316 -0.9208 C.ar 1 UNL111111111 -0.0494 15 C 3.3639 1.1241 0.1918 C.3 1 UNL111111111 0.0996 16 C 2.4734 1.3515 1.3844 C.2 1 UNL111111111 -0.1995 17 C -1.5488 0.6519 0.9729 C.ar 1 UNL111111111 -0.1859 18 C -2.4328 -0.7728 -1.3603 C.ar 1 UNL111111111 -0.2091 19 C -2.8483 0.7040 0.5324 C.ar 1 UNL111111111 0.1258 20 C -3.2852 0.0002 -0.6125 C.ar 1 UNL111111111 0.1361 21 C 3.9613 2.4633 -1.6853 C.3 1 UNL111111111 -0.2067 22 C -5.0311 1.1110 0.2421 C.3 1 UNL111111111 0.1568 23 H 1.2753 0.4099 -1.4251 H 1 UNL111111111 0.1669 24 H 0.0227 -2.0848 1.7658 H 1 UNL111111111 0.1536 25 H 2.3004 -3.0395 0.0751 H 1 UNL111111111 0.1580 26 H 0.5969 -3.4827 -0.1233 H 1 UNL111111111 0.1479 27 H 3.6343 -0.3055 -1.4477 H 1 UNL111111111 0.1622 28 H 3.5142 -1.0566 0.1339 H 1 UNL111111111 0.1463 29 H -0.5322 -2.6792 -1.9130 H 1 UNL111111111 0.1562 30 H -0.0558 -1.1991 -2.7765 H 1 UNL111111111 0.1623 31 H 0.7044 0.8950 2.4606 H 1 UNL111111111 0.1599 32 H 4.4378 1.2203 0.4724 H 1 UNL111111111 0.1208 33 H 2.8350 2.1074 2.0785 H 1 UNL111111111 0.1579 34 H -1.2251 1.2009 1.8529 H 1 UNL111111111 0.1822 35 H 2.7323 -1.3461 1.9357 H 1 UNL111111111 0.3210 36 H -2.7655 -1.3090 -2.2426 H 1 UNL111111111 0.1756 37 H 3.5008 3.2946 -2.2360 H 1 UNL111111111 0.1477 38 H 4.1105 1.6099 -2.3524 H 1 UNL111111111 0.1226 39 H 4.9080 2.7830 -1.2404 H 1 UNL111111111 0.1196 40 H -5.3554 2.0547 -0.2178 H 1 UNL111111111 0.1413 41 H -5.7783 0.5849 0.8515 H 1 UNL111111111 0.1402 @BOND 1 1 8 1 2 1 35 1 3 2 15 1 4 2 21 1 5 3 19 1 6 3 22 1 7 4 20 1 8 4 22 1 9 5 7 1 10 5 9 1 11 5 12 1 12 6 7 1 13 6 8 1 14 6 11 1 15 6 13 1 16 7 10 1 17 7 23 1 18 8 9 1 19 8 24 1 20 9 25 1 21 9 26 1 22 10 15 1 23 10 27 1 24 10 28 1 25 11 14 ar 26 11 17 ar 27 12 14 1 28 12 29 1 29 12 30 1 30 13 16 2 31 13 31 1 32 14 18 ar 33 15 16 1 34 15 32 1 35 16 33 1 36 17 19 ar 37 17 34 1 38 18 20 ar 39 18 36 1 40 19 20 ar 41 21 37 1 42 21 38 1 43 21 39 1 44 22 40 1 45 22 41 1