@MOLECULE 16-hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethyl-12h,24h-spiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.0~3,9~.0~4,6~.0~9,27~.0~13,15~]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione 44 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.3283 -1.1462 -0.9786 O.2 1 UNL1 -0.6070 2 O -2.4544 1.9615 -1.1432 O.2 1 UNL1 -0.1764 3 O -5.6899 1.9300 -1.9328 O.2 1 UNL1 -0.1852 4 O 1.2126 4.2570 0.1567 O.3 1 UNL1 -0.2781 5 O -2.4487 -0.2884 1.7478 O.3 1 UNL1 -0.5758 6 O 0.1078 -0.2060 2.2947 O.3 1 UNL1 -0.2872 7 O 3.2339 4.9891 0.5846 O.2 1 UNL1 -0.3533 8 O -2.7124 0.3612 3.9102 O.2 1 UNL1 -0.3607 9 O 1.2194 -3.3168 1.7914 O.2 1 UNL1 -0.3115 10 O 3.6804 -2.1244 0.1961 O.2 1 UNL1 -0.1503 11 O 5.6808 -3.4353 -1.4421 O.2 1 UNL1 -0.2552 12 C -2.0830 -0.8104 -0.8726 C.3 1 UNL1 -0.1563 13 C -3.4190 -0.2056 -0.2928 C.3 1 UNL1 -0.1515 14 C -1.1235 0.0613 -1.0467 C.3 1 UNL1 -0.2408 15 C -3.5546 1.1050 -0.9684 C.2 1 UNL1 -0.1852 16 C -1.2206 1.3995 -0.8674 C.3 1 UNL1 0.3381 17 C 0.4748 3.2574 -0.1908 C.1 1 UNL1 0.2397 18 C -4.6755 1.5449 -1.5320 C.1 1 UNL1 0.4470 19 C -6.5031 -2.2943 -1.0891 C.1 1 UNL1 -0.7679 20 C -4.0842 -1.4343 -0.8663 C.3 1 UNL1 -0.5588 21 C 0.6342 -0.8885 -1.8671 C.2 1 UNL1 0.5565 22 C -0.2951 2.3752 -0.5236 C.1 1 UNL1 -0.2490 23 C -5.3083 -1.8627 -0.9692 C.1 1 UNL1 0.5545 24 C -2.7691 -2.0716 -1.2561 C.3 1 UNL1 0.3843 25 C -3.6267 -0.0404 1.2246 C.3 1 UNL1 0.4582 26 C -7.7119 -2.7328 -1.1957 C.3 1 UNL1 0.4943 27 C 2.6283 4.0134 0.2749 C.2 1 UNL1 0.5842 28 C -2.0424 -0.1393 3.0712 C.2 1 UNL1 0.4491 29 C -0.6844 -0.8732 3.0981 C.3 1 UNL1 0.3690 30 C 1.2720 -0.7784 1.9228 C.3 1 UNL1 0.0365 31 C 3.0378 2.6439 0.0074 C.2 1 UNL1 -0.2870 32 C 1.5824 -2.2102 1.6144 C.2 1 UNL1 0.3700 33 C 2.4294 -0.2023 1.4195 C.3 1 UNL1 -0.1603 34 C 3.6536 2.2709 -1.1198 C.2 1 UNL1 -0.0591 35 C 2.8255 -1.5279 0.9463 C.3 1 UNL1 0.1852 36 C 3.9674 0.8627 -1.3495 C.2 1 UNL1 -0.0882 37 C 4.6252 -1.3417 -0.5245 C.2 1 UNL1 0.1943 38 C 4.5025 0.0971 -0.3896 C.2 1 UNL1 -0.1819 39 C 5.4750 -2.0464 -1.2357 C.2 1 UNL1 -0.2871 40 C 6.5130 -2.6339 -2.0890 C.3 1 UNL1 0.4684 41 H 2.7820 1.9100 0.8109 H 1 UNL1 0.2574 42 H 3.9071 2.9634 -1.9250 H 1 UNL1 0.1583 43 H 3.6872 0.4682 -2.3299 H 1 UNL1 0.1663 44 H 4.8041 0.5056 0.5855 H 1 UNL1 0.2025 @BOND 1 43 36 1 2 40 11 1 3 40 39 1 4 3 18 2 5 42 34 1 6 21 1 2 7 18 15 2 8 11 39 1 9 36 34 1 10 36 38 2 11 24 12 1 12 24 20 1 13 39 37 2 14 26 19 1 15 2 15 1 16 2 16 1 17 34 31 2 18 19 23 3 19 14 12 1 20 14 16 1 21 23 20 1 22 15 13 1 23 12 13 1 24 16 22 1 25 20 13 1 26 37 38 1 27 37 10 1 28 22 17 3 29 38 44 1 30 13 25 1 31 17 4 1 32 31 27 1 33 31 41 1 34 4 27 1 35 10 35 1 36 27 7 2 37 35 33 1 38 35 32 1 39 25 5 1 40 33 30 1 41 32 9 2 42 32 30 1 43 5 28 1 44 30 6 1 45 6 29 1 46 28 29 1 47 28 8 2