@MOLECULE (1r,3r,4r,5r,7s,8s,9r,10z,12s,13s,14s)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0~1,12~.0~5,7~]hexadec-10-ene-4,8,9,13-tetrayl tetraacetate 76 79 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4337 2.5849 0.5897 C.3 1 UNL1 -0.2301 2 C -2.4813 1.4832 0.6012 C.3 1 UNL1 -0.2490 3 C 2.6054 0.6821 0.5963 C.3 1 UNL1 0.0172 4 C 1.8825 -0.6129 0.8953 C.3 1 UNL1 0.1191 5 C 0.0110 2.4362 0.1833 C.3 1 UNL1 0.1477 6 C -2.4214 0.0506 0.1317 C.3 1 UNL1 0.1111 7 C 2.8755 -1.7698 0.6731 C.3 1 UNL1 0.0875 8 C 0.9883 2.6644 1.3556 C.3 1 UNL1 -0.2266 9 C -1.1170 -0.7611 0.2817 C.3 1 UNL1 0.0577 10 C 4.2755 -1.0919 0.6462 C.3 1 UNL1 -0.0993 11 C -3.6476 3.6540 -0.2325 C.3 1 UNL1 -0.4479 12 C -2.3090 2.3159 -1.8750 C.3 1 UNL1 -0.4530 13 C 0.4445 2.2476 2.7229 C.3 1 UNL1 -0.4375 14 C 5.2568 -1.8222 -0.2582 C.3 1 UNL1 -0.4452 15 C -1.4464 -1.1143 2.7758 C.3 1 UNL1 -0.4504 16 C 0.9835 4.7058 -2.5558 C.3 1 UNL1 -0.5134 17 C -5.0210 -2.1783 1.4867 C.3 1 UNL1 -0.5162 18 C 1.7276 -3.6401 -2.2485 C.3 1 UNL1 -0.5219 19 C -1.9252 -3.9646 -1.3273 C.3 1 UNL1 -0.5127 20 O 3.3162 2.6477 1.5994 O.2 1 UNL1 -0.4537 21 O 0.8766 2.2925 -2.4131 O.2 1 UNL1 -0.4918 22 O -4.1190 -1.8996 -0.7377 O.2 1 UNL1 -0.5311 23 O 1.5345 -4.0630 0.1325 O.2 1 UNL1 -0.5282 24 O -1.0353 -1.8708 -2.1698 O.2 1 UNL1 -0.5189 25 C 4.0334 0.3676 0.1882 C.3 1 UNL1 -0.2927 26 C 0.7219 3.3793 -1.9239 C.2 1 UNL1 0.6292 27 C -4.1601 -1.5816 0.4234 C.2 1 UNL1 0.6538 28 C 1.9251 -3.3991 -0.7931 C.2 1 UNL1 0.6271 29 C -1.4426 -2.5586 -1.2702 C.2 1 UNL1 0.6515 30 O 0.2703 3.5752 -0.6616 O.3 1 UNL1 -0.4605 31 O -3.4178 -0.5853 0.9580 O.3 1 UNL1 -0.4454 32 O 2.6629 -2.2708 -0.6370 O.3 1 UNL1 -0.3954 33 O -1.4940 -2.1214 0.0184 O.3 1 UNL1 -0.4322 34 C 2.3583 2.0309 1.1911 C.2 1 UNL1 0.4573 35 C -0.5024 -0.8626 1.6513 C.2 1 UNL1 0.0883 36 O 1.6434 0.1249 -0.2983 O.3 1 UNL1 -0.2861 37 C 0.8187 -0.8068 1.8750 C.2 1 UNL1 -0.2652 38 C -2.5718 2.6120 -0.4240 C.3 1 UNL1 0.0734 39 H -1.5298 3.3179 1.4099 H 1 UNL1 0.1669 40 H -3.1694 1.5457 1.4685 H 1 UNL1 0.1786 41 H 0.1950 1.4943 -0.3794 H 1 UNL1 0.1813 42 H -2.7525 -0.0277 -0.9406 H 1 UNL1 0.1762 43 H 2.7877 -2.5738 1.4280 H 1 UNL1 0.1549 44 H 1.1699 3.7831 1.3938 H 1 UNL1 0.1901 45 H 4.1424 0.4643 -0.9101 H 1 UNL1 0.1732 46 H 4.7645 1.0612 0.6386 H 1 UNL1 0.1689 47 H 1.2057 -0.9387 2.8927 H 1 UNL1 0.1703 48 H -0.3871 -0.4163 -0.4972 H 1 UNL1 0.1879 49 H 4.6713 -1.0831 1.6896 H 1 UNL1 0.1394 50 H -3.3456 4.6144 -0.6713 H 1 UNL1 0.1526 51 H -4.5836 3.3479 -0.7186 H 1 UNL1 0.1544 52 H -3.8762 3.8391 0.8229 H 1 UNL1 0.1425 53 H -1.4832 1.6026 -2.0299 H 1 UNL1 0.1764 54 H -3.1953 1.8907 -2.3651 H 1 UNL1 0.1562 55 H -2.0354 3.2277 -2.4220 H 1 UNL1 0.1550 56 H -0.1724 1.3427 2.6658 H 1 UNL1 0.1677 57 H 1.2526 2.0565 3.4416 H 1 UNL1 0.1566 58 H -0.1804 3.0357 3.1601 H 1 UNL1 0.1473 59 H 4.9128 -1.8321 -1.3023 H 1 UNL1 0.1632 60 H 6.2437 -1.3464 -0.2417 H 1 UNL1 0.1443 61 H 5.3840 -2.8670 0.0474 H 1 UNL1 0.1457 62 H -0.9451 -1.3042 3.7322 H 1 UNL1 0.1477 63 H -2.1351 -0.2671 2.9216 H 1 UNL1 0.1683 64 H -2.0760 -1.9937 2.5573 H 1 UNL1 0.1720 65 H 0.4382 5.5234 -2.0615 H 1 UNL1 0.1805 66 H 2.0572 4.9482 -2.5034 H 1 UNL1 0.1860 67 H 0.6987 4.6929 -3.6187 H 1 UNL1 0.1820 68 H -6.0114 -2.4395 1.0831 H 1 UNL1 0.1834 69 H -4.5651 -3.1049 1.8711 H 1 UNL1 0.1851 70 H -5.1673 -1.5026 2.3423 H 1 UNL1 0.1807 71 H 1.0555 -2.8686 -2.6820 H 1 UNL1 0.2180 72 H 2.6702 -3.5729 -2.8116 H 1 UNL1 0.1830 73 H 1.2794 -4.6262 -2.4323 H 1 UNL1 0.1795 74 H -1.5611 -4.5627 -0.4766 H 1 UNL1 0.1883 75 H -3.0304 -3.9862 -1.2985 H 1 UNL1 0.1991 76 H -1.6061 -4.4551 -2.2582 H 1 UNL1 0.1802 @BOND 1 67 16 1 2 72 18 1 3 71 18 1 4 16 66 1 5 16 65 1 6 16 26 1 7 73 18 1 8 55 12 1 9 21 26 2 10 54 12 1 11 76 19 1 12 18 28 1 13 24 29 2 14 53 12 1 15 26 30 1 16 12 38 1 17 19 75 1 18 19 29 1 19 19 74 1 20 59 14 1 21 29 33 1 22 42 6 1 23 45 25 1 24 28 32 1 25 28 23 2 26 22 27 2 27 51 11 1 28 50 11 1 29 30 5 1 30 32 7 1 31 48 9 1 32 38 11 1 33 38 1 1 34 38 2 1 35 41 5 1 36 36 3 1 37 36 4 1 38 14 60 1 39 14 61 1 40 14 10 1 41 11 52 1 42 33 9 1 43 6 9 1 44 6 2 1 45 6 31 1 46 5 1 1 47 5 8 1 48 25 3 1 49 25 46 1 50 25 10 1 51 9 35 1 52 27 31 1 53 27 17 1 54 1 2 1 55 1 39 1 56 3 4 1 57 3 34 1 58 2 40 1 59 10 7 1 60 10 49 1 61 7 4 1 62 7 43 1 63 4 37 1 64 68 17 1 65 34 8 1 66 34 20 2 67 8 44 1 68 8 13 1 69 17 69 1 70 17 70 1 71 35 37 2 72 35 15 1 73 37 47 1 74 64 15 1 75 56 13 1 76 13 58 1 77 13 57 1 78 15 63 1 79 15 62 1