@MOLECULE methyl (2s)-2-{(3r,6r)-6-[6-(1-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-4-methylenehexyl]-6-methyl-1,2-dioxan-3-yl}propanoate 72 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.5530 -0.3580 1.4825 O.3 1 UNL1111111111 -0.5616 2 O 2.5040 -0.0927 -1.8236 O.3 1 UNL1111111111 -0.1761 3 O 3.5234 0.8195 -1.4494 O.3 1 UNL1111111111 -0.1569 4 O 6.6747 -0.6543 0.6661 O.3 1 UNL1111111111 -0.4086 5 O 7.0080 1.3651 1.5927 O.2 1 UNL1111111111 -0.5007 6 C -5.4796 1.2051 -0.3700 C.3 1 UNL1111111111 0.0489 7 C -4.6744 0.1991 0.5176 C.3 1 UNL1111111111 0.2651 8 C -4.5009 2.0175 -1.2436 C.3 1 UNL1111111111 -0.2914 9 C -4.0499 -0.9593 -0.2908 C.3 1 UNL1111111111 -0.3255 10 C -3.6106 0.9334 1.3050 C.2 1 UNL1111111111 0.0049 11 C -3.4347 2.7338 -0.4086 C.3 1 UNL1111111111 -0.2587 12 C -2.6634 1.7413 0.4710 C.3 1 UNL1111111111 -0.2894 13 C -6.4683 0.4724 -1.2903 C.3 1 UNL1111111111 -0.4682 14 C -6.2789 2.1348 0.5537 C.3 1 UNL1111111111 -0.4543 15 C -3.3539 -1.9590 0.6408 C.3 1 UNL1111111111 -0.2900 16 C 1.5683 -0.2380 -0.7491 C.3 1 UNL1111111111 0.2133 17 C 0.5687 -1.2339 -1.3772 C.3 1 UNL1111111111 -0.3208 18 C -2.6141 -3.0148 -0.1228 C.2 1 UNL1111111111 0.0613 19 C 2.3000 -0.8406 0.4642 C.3 1 UNL1111111111 -0.3123 20 C -3.5149 0.8564 2.6323 C.2 1 UNL1111111111 -0.3422 21 C -0.4990 -1.6861 -0.3799 C.3 1 UNL1111111111 -0.2524 22 C -1.5534 -2.5554 -1.0812 C.3 1 UNL1111111111 -0.2928 23 C 3.5700 -0.0493 0.7864 C.3 1 UNL1111111111 -0.3185 24 C 4.3697 0.1626 -0.5047 C.3 1 UNL1111111111 0.0301 25 C 0.9277 1.1098 -0.4310 C.3 1 UNL1111111111 -0.4849 26 C 5.5363 1.1516 -0.3294 C.3 1 UNL1111111111 -0.1975 27 C -2.8846 -4.3123 0.0447 C.2 1 UNL1111111111 -0.3923 28 C 6.3275 1.2923 -1.6287 C.3 1 UNL1111111111 -0.4349 29 C 6.4765 0.6864 0.7542 C.2 1 UNL1111111111 0.5905 30 C 7.5680 -1.2184 1.6207 C.3 1 UNL1111111111 -0.1718 31 H -4.0143 1.3519 -1.9808 H 1 UNL1111111111 0.1386 32 H -5.0682 2.7584 -1.8380 H 1 UNL1111111111 0.1401 33 H -3.3370 -0.5498 -1.0298 H 1 UNL1111111111 0.1528 34 H -4.8265 -1.4866 -0.8737 H 1 UNL1111111111 0.1460 35 H -2.7349 3.2747 -1.0724 H 1 UNL1111111111 0.1348 36 H -3.9070 3.5076 0.2267 H 1 UNL1111111111 0.1428 37 H -1.9395 2.2887 1.1066 H 1 UNL1111111111 0.1457 38 H -2.0524 1.0669 -0.1656 H 1 UNL1111111111 0.1510 39 H -5.9594 -0.1251 -2.0536 H 1 UNL1111111111 0.1457 40 H -7.1083 1.1892 -1.8199 H 1 UNL1111111111 0.1519 41 H -7.1333 -0.1897 -0.7270 H 1 UNL1111111111 0.1421 42 H -6.7997 2.9139 -0.0089 H 1 UNL1111111111 0.1394 43 H -5.6281 2.6253 1.2885 H 1 UNL1111111111 0.1561 44 H -7.0244 1.5747 1.1317 H 1 UNL1111111111 0.1555 45 H -4.1084 -2.4066 1.3234 H 1 UNL1111111111 0.1602 46 H -2.6552 -1.4281 1.3231 H 1 UNL1111111111 0.1623 47 H -6.2585 -0.8723 1.0476 H 1 UNL1111111111 0.3131 48 H 0.0956 -0.7624 -2.2609 H 1 UNL1111111111 0.1532 49 H 1.1204 -2.1101 -1.7713 H 1 UNL1111111111 0.1518 50 H 1.6301 -0.8628 1.3430 H 1 UNL1111111111 0.1505 51 H 2.5617 -1.8954 0.2516 H 1 UNL1111111111 0.1490 52 H -2.7683 1.3707 3.2129 H 1 UNL1111111111 0.1419 53 H -4.1942 0.2733 3.2401 H 1 UNL1111111111 0.1674 54 H -0.9813 -0.8055 0.0876 H 1 UNL1111111111 0.1459 55 H -0.0407 -2.2578 0.4496 H 1 UNL1111111111 0.1425 56 H -1.0579 -3.4224 -1.5637 H 1 UNL1111111111 0.1469 57 H -2.0227 -1.9918 -1.9139 H 1 UNL1111111111 0.1488 58 H 3.3093 0.9238 1.2437 H 1 UNL1111111111 0.1517 59 H 4.1798 -0.5891 1.5348 H 1 UNL1111111111 0.1513 60 H 4.7133 -0.8055 -0.9305 H 1 UNL1111111111 0.1538 61 H 0.2705 1.0559 0.4419 H 1 UNL1111111111 0.1501 62 H 0.3435 1.4817 -1.2805 H 1 UNL1111111111 0.1532 63 H 1.6981 1.8652 -0.2240 H 1 UNL1111111111 0.1646 64 H 5.1269 2.1543 -0.0317 H 1 UNL1111111111 0.1826 65 H -2.3691 -5.1051 -0.4693 H 1 UNL1111111111 0.1443 66 H -3.6438 -4.6841 0.7120 H 1 UNL1111111111 0.1477 67 H 7.1299 2.0350 -1.5367 H 1 UNL1111111111 0.1562 68 H 6.7829 0.3410 -1.9340 H 1 UNL1111111111 0.1591 69 H 5.6723 1.6140 -2.4519 H 1 UNL1111111111 0.1698 70 H 7.1849 -1.0634 2.6347 H 1 UNL1111111111 0.1397 71 H 8.5632 -0.7730 1.5180 H 1 UNL1111111111 0.1411 72 H 7.5759 -2.2812 1.3527 H 1 UNL1111111111 0.1464 @BOND 1 1 7 1 2 1 47 1 3 2 3 1 4 2 16 1 5 3 24 1 6 4 29 1 7 4 30 1 8 5 29 2 9 6 7 1 10 6 8 1 11 6 13 1 12 6 14 1 13 7 9 1 14 7 10 1 15 8 11 1 16 8 31 1 17 8 32 1 18 9 15 1 19 9 33 1 20 9 34 1 21 10 12 1 22 10 20 2 23 11 12 1 24 11 35 1 25 11 36 1 26 12 37 1 27 12 38 1 28 13 39 1 29 13 40 1 30 13 41 1 31 14 42 1 32 14 43 1 33 14 44 1 34 15 18 1 35 15 45 1 36 15 46 1 37 16 17 1 38 16 19 1 39 16 25 1 40 17 21 1 41 17 48 1 42 17 49 1 43 18 22 1 44 18 27 2 45 19 23 1 46 19 50 1 47 19 51 1 48 20 52 1 49 20 53 1 50 21 22 1 51 21 54 1 52 21 55 1 53 22 56 1 54 22 57 1 55 23 24 1 56 23 58 1 57 23 59 1 58 24 26 1 59 24 60 1 60 25 61 1 61 25 62 1 62 25 63 1 63 26 28 1 64 26 29 1 65 26 64 1 66 27 65 1 67 27 66 1 68 28 67 1 69 28 68 1 70 28 69 1 71 30 70 1 72 30 71 1 73 30 72 1