@MOLECULE (3alpha,11r,13beta)-3-methoxy-1,2-didehydrocrinan-11-ol 41 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2391 -2.8563 1.5088 O.3 1 UNL1111111111 -0.5421 2 O 2.4709 2.7770 0.1292 O.3 1 UNL1111111111 -0.3729 3 O -3.4504 1.2227 1.2721 O.3 1 UNL1111111111 -0.3252 4 O -4.0319 0.8458 -0.9847 O.3 1 UNL1111111111 -0.3329 5 N 1.5228 -1.8451 -1.3900 N.3 1 UNL1111111111 -0.3942 6 C 1.0350 -0.8711 0.7340 C.3 1 UNL1111111111 -0.0707 7 C 2.0702 -0.8306 -0.4468 C.3 1 UNL1111111111 0.0315 8 C 0.9637 -2.4112 0.9655 C.3 1 UNL1111111111 0.1283 9 C 1.2036 -2.9890 -0.4717 C.3 1 UNL1111111111 -0.1921 10 C 2.2560 0.6021 -0.9259 C.3 1 UNL1111111111 -0.3501 11 C -0.3151 -0.4099 0.2383 C.ar 1 UNL1111111111 -0.0304 12 C 0.2947 -1.3297 -2.0350 C.3 1 UNL1111111111 -0.1262 13 C 1.5458 -0.0326 1.8500 C.2 1 UNL1111111111 -0.1597 14 C -0.6703 -0.6503 -1.0933 C.ar 1 UNL1111111111 -0.0596 15 C 2.8508 1.4106 0.2486 C.3 1 UNL1111111111 0.1048 16 C 2.3304 1.0228 1.6114 C.2 1 UNL1111111111 -0.1682 17 C -1.2040 0.2246 1.1293 C.ar 1 UNL1111111111 -0.1836 18 C -1.9186 -0.2553 -1.6124 C.ar 1 UNL1111111111 -0.2190 19 C -2.4189 0.5999 0.6145 C.ar 1 UNL1111111111 0.1172 20 C -2.7706 0.3678 -0.7357 C.ar 1 UNL1111111111 0.1390 21 C 3.1554 3.4765 -0.8903 C.3 1 UNL1111111111 -0.2041 22 C -4.4837 1.3941 0.2759 C.3 1 UNL1111111111 0.1559 23 H 3.0651 -1.2217 -0.1047 H 1 UNL1111111111 0.1477 24 H 1.7082 -2.7665 1.7048 H 1 UNL1111111111 0.1479 25 H 2.0729 -3.6733 -0.4859 H 1 UNL1111111111 0.1519 26 H 0.3323 -3.5701 -0.8170 H 1 UNL1111111111 0.1538 27 H 1.2959 1.0649 -1.2316 H 1 UNL1111111111 0.1769 28 H 2.9107 0.6411 -1.8124 H 1 UNL1111111111 0.1507 29 H -0.2021 -2.1700 -2.5717 H 1 UNL1111111111 0.1563 30 H 0.6162 -0.6117 -2.8286 H 1 UNL1111111111 0.1615 31 H 1.2245 -0.3140 2.8511 H 1 UNL1111111111 0.1629 32 H 3.9643 1.3298 0.2451 H 1 UNL1111111111 0.1210 33 H 2.6595 1.6921 2.4066 H 1 UNL1111111111 0.1620 34 H -0.9363 0.4113 2.1667 H 1 UNL1111111111 0.1882 35 H -1.0177 -2.5215 1.0133 H 1 UNL1111111111 0.3251 36 H -2.1860 -0.4347 -2.6488 H 1 UNL1111111111 0.1794 37 H 2.7497 4.4930 -0.7996 H 1 UNL1111111111 0.1475 38 H 2.9234 3.0661 -1.8773 H 1 UNL1111111111 0.1229 39 H 4.2345 3.4819 -0.7119 H 1 UNL1111111111 0.1184 40 H -4.6385 2.4724 0.1345 H 1 UNL1111111111 0.1408 41 H -5.3596 0.8151 0.5980 H 1 UNL1111111111 0.1396 @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