@MOLECULE (3alpha,11r,13beta,19alpha)-3-methoxy-1,2-didehydrocrinan-11-ol 41 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9717 0.4114 2.4533 O.3 1 UNL1111111111 -0.5552 2 O 4.5178 -1.2391 -0.3587 O.3 1 UNL1111111111 -0.3896 3 O -4.0343 -1.8544 0.2968 O.3 1 UNL1111111111 -0.3348 4 O -4.8782 0.1474 -0.6250 O.3 1 UNL1111111111 -0.3393 5 N 0.9964 2.1082 -0.4130 N.3 1 UNL1111111111 -0.3950 6 C 0.6380 -0.0977 0.4260 C.3 1 UNL1111111111 -0.0749 7 C 1.3570 0.6924 -0.7232 C.3 1 UNL1111111111 0.0342 8 C 0.8838 0.8186 1.6797 C.3 1 UNL1111111111 0.1405 9 C 1.1483 2.2247 1.0653 C.3 1 UNL1111111111 -0.1896 10 C 2.8716 0.4865 -0.7181 C.3 1 UNL1111111111 -0.3515 11 C -0.8366 -0.0321 0.1151 C.ar 1 UNL1111111111 -0.0338 12 C -0.4243 2.2987 -0.8045 C.3 1 UNL1111111111 -0.1273 13 C 1.2038 -1.4519 0.6517 C.2 1 UNL1111111111 -0.1437 14 C -1.3395 1.1484 -0.4479 C.ar 1 UNL1111111111 -0.0506 15 C 3.1867 -1.0138 -0.8134 C.3 1 UNL1111111111 0.1016 16 C 2.3589 -1.8539 0.1172 C.2 1 UNL1111111111 -0.1879 17 C -1.6852 -1.1178 0.4051 C.ar 1 UNL1111111111 -0.1884 18 C -2.7081 1.3103 -0.7374 C.ar 1 UNL1111111111 -0.2129 19 C -3.0162 -0.9507 0.1133 C.ar 1 UNL1111111111 0.1221 20 C -3.5219 0.2459 -0.4437 C.ar 1 UNL1111111111 0.1366 21 C 5.5173 -0.8781 -1.2903 C.3 1 UNL1111111111 -0.1975 22 C -5.2265 -1.1779 -0.1621 C.3 1 UNL1111111111 0.1563 23 H 0.9554 0.4004 -1.7223 H 1 UNL1111111111 0.1502 24 H 0.0434 0.7974 2.3999 H 1 UNL1111111111 0.1526 25 H 0.4804 2.9940 1.4870 H 1 UNL1111111111 0.1480 26 H 2.1852 2.5564 1.2807 H 1 UNL1111111111 0.1617 27 H 3.3412 0.9122 0.1900 H 1 UNL1111111111 0.1647 28 H 3.3273 1.0456 -1.5565 H 1 UNL1111111111 0.1583 29 H -0.4360 2.4559 -1.9108 H 1 UNL1111111111 0.1607 30 H -0.7962 3.2489 -0.3598 H 1 UNL1111111111 0.1567 31 H 0.6396 -2.0915 1.3327 H 1 UNL1111111111 0.1631 32 H 3.0752 -1.3807 -1.8609 H 1 UNL1111111111 0.1303 33 H 2.7896 -2.8334 0.3301 H 1 UNL1111111111 0.1686 34 H -1.3120 -2.0435 0.8347 H 1 UNL1111111111 0.1830 35 H 2.7215 0.0934 1.9013 H 1 UNL1111111111 0.3324 36 H -3.0923 2.2284 -1.1717 H 1 UNL1111111111 0.1769 37 H 6.4441 -1.1634 -0.7747 H 1 UNL1111111111 0.1469 38 H 5.5082 0.1989 -1.4821 H 1 UNL1111111111 0.1234 39 H 5.4133 -1.4432 -2.2213 H 1 UNL1111111111 0.1205 40 H -5.9012 -1.0654 0.6977 H 1 UNL1111111111 0.1416 41 H -5.6214 -1.7391 -1.0201 H 1 UNL1111111111 0.1413 @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