@MOLECULE (4r,6r)-4-hydroxy-6-{2-[(1s,2s,8s,8ar)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]ethyl}tetrahydro-2h-pyran-2-one 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4164 -2.1899 0.7754 O.3 1 UNL1111111111 -0.5611 2 O 2.6863 0.2450 -0.7515 O.3 1 UNL1111111111 -0.4253 3 O 4.9827 -1.8512 1.0558 O.3 1 UNL1111111111 -0.5533 4 O 3.9616 0.6940 -2.4400 O.2 1 UNL1111111111 -0.4626 5 C -1.3538 0.4490 0.5145 C.3 1 UNL1111111111 -0.1049 6 C -2.4870 -0.0636 -0.4065 C.3 1 UNL1111111111 -0.1901 7 C -1.3651 1.9979 0.5488 C.3 1 UNL1111111111 -0.1083 8 C 0.0108 -0.1097 0.0809 C.3 1 UNL1111111111 -0.2811 9 C -2.4837 -1.6042 -0.5040 C.3 1 UNL1111111111 0.1565 10 C -3.8176 0.4356 0.0900 C.2 1 UNL1111111111 -0.0109 11 C 1.1475 0.3651 0.9930 C.3 1 UNL1111111111 -0.2997 12 C -3.7272 -2.1000 -1.2545 C.3 1 UNL1111111111 -0.3279 13 C -2.7407 2.5044 0.8632 C.2 1 UNL1111111111 -0.1384 14 C 2.4734 -0.2729 0.5612 C.3 1 UNL1111111111 0.1456 15 C -5.0082 -1.6846 -0.5237 C.3 1 UNL1111111111 -0.2635 16 C -3.8486 1.7858 0.6441 C.2 1 UNL1111111111 -0.1968 17 C -4.9415 -0.2951 0.0131 C.2 1 UNL1111111111 -0.1997 18 C -0.9100 2.6407 -0.7686 C.3 1 UNL1111111111 -0.4421 19 C 3.6171 0.0946 1.4997 C.3 1 UNL1111111111 -0.4104 20 C 4.9350 -0.4487 0.9479 C.3 1 UNL1111111111 0.1846 21 C 5.1535 -0.0212 -0.5056 C.3 1 UNL1111111111 -0.4596 22 C 3.9255 0.3186 -1.2946 C.2 1 UNL1111111111 0.6064 23 H -1.5659 0.0832 1.5507 H 1 UNL1111111111 0.1453 24 H -2.3255 0.3487 -1.4361 H 1 UNL1111111111 0.1630 25 H -0.6673 2.3251 1.3616 H 1 UNL1111111111 0.1368 26 H -0.0275 -1.2189 0.1013 H 1 UNL1111111111 0.1514 27 H 0.2279 0.1698 -0.9695 H 1 UNL1111111111 0.1603 28 H -1.5524 -1.9847 -0.9852 H 1 UNL1111111111 0.1390 29 H 1.2370 1.4687 0.9503 H 1 UNL1111111111 0.1572 30 H 0.9299 0.1055 2.0458 H 1 UNL1111111111 0.1504 31 H -3.6861 -3.2007 -1.3532 H 1 UNL1111111111 0.1513 32 H -3.7252 -1.6949 -2.2838 H 1 UNL1111111111 0.1485 33 H -2.7811 3.5131 1.2679 H 1 UNL1111111111 0.1421 34 H 2.3750 -1.3757 0.4371 H 1 UNL1111111111 0.1277 35 H -5.2104 -2.3909 0.3117 H 1 UNL1111111111 0.1486 36 H -5.8777 -1.7872 -1.2069 H 1 UNL1111111111 0.1478 37 H -4.8357 2.1871 0.8752 H 1 UNL1111111111 0.1497 38 H -5.8950 0.0987 0.3622 H 1 UNL1111111111 0.1468 39 H -1.5556 2.3470 -1.6039 H 1 UNL1111111111 0.1500 40 H -0.9344 3.7339 -0.7050 H 1 UNL1111111111 0.1428 41 H 0.1158 2.3488 -1.0261 H 1 UNL1111111111 0.1576 42 H 3.4329 -0.3204 2.5112 H 1 UNL1111111111 0.1756 43 H 3.6812 1.1919 1.6306 H 1 UNL1111111111 0.1683 44 H 5.8012 -0.1526 1.5891 H 1 UNL1111111111 0.1487 45 H -3.1491 -1.8715 1.3410 H 1 UNL1111111111 0.3215 46 H 5.7148 -0.8231 -1.0439 H 1 UNL1111111111 0.2032 47 H 5.8394 0.8556 -0.5469 H 1 UNL1111111111 0.1914 48 H 4.2617 -2.2842 0.5579 H 1 UNL1111111111 0.3178 @BOND 1 1 9 1 2 1 45 1 3 2 14 1 4 2 22 1 5 3 20 1 6 3 48 1 7 4 22 2 8 5 6 1 9 5 7 1 10 5 8 1 11 5 23 1 12 6 9 1 13 6 10 1 14 6 24 1 15 7 13 1 16 7 18 1 17 7 25 1 18 8 11 1 19 8 26 1 20 8 27 1 21 9 12 1 22 9 28 1 23 10 16 1 24 10 17 2 25 11 14 1 26 11 29 1 27 11 30 1 28 12 15 1 29 12 31 1 30 12 32 1 31 13 16 2 32 13 33 1 33 14 19 1 34 14 34 1 35 15 17 1 36 15 35 1 37 15 36 1 38 16 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 18 41 1 43 19 20 1 44 19 42 1 45 19 43 1 46 20 21 1 47 20 44 1 48 21 22 1 49 21 46 1 50 21 47 1