@MOLECULE methyl (1r,5s)-1-hydroxy-3-methoxy-4-oxo-5-{[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-2-naphthalenyl]methyl}-2-cyclopentene-1-carboxylate 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4258 -0.2909 -2.3682 O.3 1 UNL1111111111 -0.5356 2 O -2.5441 2.4553 1.1982 O.2 1 UNL1111111111 -0.3770 3 O -5.1946 1.7430 0.6273 O.2 1 UNL1111111111 -0.2354 4 O -2.6769 -1.9913 0.7753 O.3 1 UNL1111111111 -0.3799 5 O -2.2248 -2.7624 -1.2914 O.2 1 UNL1111111111 -0.5098 6 C 0.7024 0.0574 -0.0643 C.3 1 UNL1111111111 0.0901 7 C 3.1122 -0.6072 0.3733 C.3 1 UNL1111111111 -0.1305 8 C 3.6600 0.7807 -0.0512 C.3 1 UNL1111111111 0.0674 9 C 1.6809 -0.6095 0.9530 C.3 1 UNL1111111111 -0.1161 10 C 1.2306 1.4421 -0.4872 C.3 1 UNL1111111111 -0.2827 11 C 2.6547 1.3939 -1.0502 C.3 1 UNL1111111111 -0.2893 12 C -0.6835 0.2286 0.6153 C.3 1 UNL1111111111 -0.3064 13 C 4.1172 -1.3151 1.2933 C.3 1 UNL1111111111 -0.2812 14 C 5.0120 0.5572 -0.7063 C.2 1 UNL1111111111 -0.0053 15 C 0.5611 -0.8568 -1.2893 C.3 1 UNL1111111111 -0.4817 16 C 3.9044 1.7559 1.1120 C.3 1 UNL1111111111 -0.4521 17 C 1.5856 -0.0047 2.3574 C.3 1 UNL1111111111 -0.4517 18 C -1.8052 0.6902 -0.3099 C.3 1 UNL1111111111 -0.2230 19 C 5.4029 -1.6087 0.5067 C.3 1 UNL1111111111 -0.2659 20 C 5.7827 -0.4999 -0.4198 C.2 1 UNL1111111111 -0.2148 21 C -2.6897 -0.3996 -0.9927 C.3 1 UNL1111111111 0.2470 22 C 5.4855 1.5939 -1.6737 C.3 1 UNL1111111111 -0.4528 23 C -2.8051 1.5542 0.4589 C.2 1 UNL1111111111 0.4341 24 C -4.1234 -0.0173 -0.7113 C.2 1 UNL1111111111 -0.3606 25 C -4.1809 1.0539 0.0972 C.2 1 UNL1111111111 0.1175 26 C -2.4742 -1.8452 -0.5506 C.2 1 UNL1111111111 0.5455 27 C -6.4976 1.2722 0.2757 C.3 1 UNL1111111111 -0.2191 28 C -2.4994 -3.3084 1.2928 C.3 1 UNL1111111111 -0.1744 29 H 3.0614 -1.2162 -0.5731 H 1 UNL1111111111 0.1433 30 H 1.3784 -1.6857 1.0434 H 1 UNL1111111111 0.1279 31 H 1.1972 2.1320 0.3779 H 1 UNL1111111111 0.1425 32 H 0.5590 1.8841 -1.2485 H 1 UNL1111111111 0.1364 33 H 2.6681 0.8114 -1.9906 H 1 UNL1111111111 0.1407 34 H 2.9704 2.4177 -1.3237 H 1 UNL1111111111 0.1360 35 H -0.5768 0.9782 1.4335 H 1 UNL1111111111 0.1689 36 H -0.9522 -0.7105 1.1331 H 1 UNL1111111111 0.1578 37 H 3.6881 -2.2523 1.6886 H 1 UNL1111111111 0.1326 38 H 4.3476 -0.6888 2.1741 H 1 UNL1111111111 0.1408 39 H 0.1512 -1.8359 -1.0220 H 1 UNL1111111111 0.1470 40 H 1.5236 -1.0342 -1.7813 H 1 UNL1111111111 0.1486 41 H -0.0994 -0.4175 -2.0478 H 1 UNL1111111111 0.1651 42 H 2.9697 2.0463 1.6007 H 1 UNL1111111111 0.1498 43 H 4.3884 2.6738 0.7614 H 1 UNL1111111111 0.1417 44 H 4.5579 1.3134 1.8714 H 1 UNL1111111111 0.1474 45 H 1.5493 1.0902 2.3333 H 1 UNL1111111111 0.1499 46 H 2.4467 -0.2839 2.9738 H 1 UNL1111111111 0.1443 47 H 0.6912 -0.3548 2.8844 H 1 UNL1111111111 0.1391 48 H -1.3685 1.3212 -1.1358 H 1 UNL1111111111 0.2081 49 H 5.2750 -2.5418 -0.0832 H 1 UNL1111111111 0.1435 50 H 6.2338 -1.8129 1.2122 H 1 UNL1111111111 0.1404 51 H 6.7623 -0.6248 -0.8785 H 1 UNL1111111111 0.1417 52 H 4.9663 1.4968 -2.6382 H 1 UNL1111111111 0.1558 53 H 6.5613 1.5145 -1.8792 H 1 UNL1111111111 0.1500 54 H 5.3066 2.6120 -1.3023 H 1 UNL1111111111 0.1536 55 H -4.9251 -0.5650 -1.1615 H 1 UNL1111111111 0.1766 56 H -2.4994 -1.1613 -2.8274 H 1 UNL1111111111 0.3427 57 H -6.6483 0.2484 0.6310 H 1 UNL1111111111 0.1392 58 H -6.6575 1.3461 -0.8044 H 1 UNL1111111111 0.1410 59 H -7.1509 1.9708 0.8146 H 1 UNL1111111111 0.1555 60 H -2.7311 -3.1833 2.3573 H 1 UNL1111111111 0.1505 61 H -1.4652 -3.6354 1.1415 H 1 UNL1111111111 0.1430 62 H -3.1952 -4.0036 0.8118 H 1 UNL1111111111 0.1420 @BOND 1 1 21 1 2 1 56 1 3 2 23 2 4 3 25 1 5 3 27 1 6 4 26 1 7 4 28 1 8 5 26 2 9 6 9 1 10 6 10 1 11 6 12 1 12 6 15 1 13 7 8 1 14 7 9 1 15 7 13 1 16 7 29 1 17 8 11 1 18 8 14 1 19 8 16 1 20 9 17 1 21 9 30 1 22 10 11 1 23 10 31 1 24 10 32 1 25 11 33 1 26 11 34 1 27 12 18 1 28 12 35 1 29 12 36 1 30 13 19 1 31 13 37 1 32 13 38 1 33 14 20 2 34 14 22 1 35 15 39 1 36 15 40 1 37 15 41 1 38 16 42 1 39 16 43 1 40 16 44 1 41 17 45 1 42 17 46 1 43 17 47 1 44 18 21 1 45 18 23 1 46 18 48 1 47 19 20 1 48 19 49 1 49 19 50 1 50 20 51 1 51 21 24 1 52 21 26 1 53 22 52 1 54 22 53 1 55 22 54 1 56 23 25 1 57 24 25 2 58 24 55 1 59 27 57 1 60 27 58 1 61 27 59 1 62 28 60 1 63 28 61 1 64 28 62 1