@MOLECULE 15-oxapentacyclo[20.2.2.2~16,19~.1~10,14~.0~2,7~]nonacosa-1(24),2,4,6,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9965 -0.1986 -0.2749 O.3 1 UNL11 -0.2639 2 O 2.9563 1.0915 1.9593 O.3 1 UNL11 -0.4578 3 O 4.8453 0.5341 -0.8141 O.3 1 UNL11 -0.4583 4 O -5.3067 -2.3814 0.3620 O.3 1 UNL11 -0.4318 5 C 0.9686 -2.0329 0.5872 C.3 1 UNL11 -0.2778 6 C 2.4301 -1.9158 0.2847 C.ar 1 UNL11 0.0848 7 C 2.9888 -0.6982 -0.1055 C.ar 1 UNL11 -0.1095 8 C 0.2422 -2.6817 -0.6076 C.3 1 UNL11 -0.2643 9 C 2.2258 0.5455 -0.1941 C.ar 1 UNL11 -0.0915 10 C 0.2414 4.3640 -0.5070 C.3 1 UNL11 -0.2852 11 C 0.9202 3.0314 -0.3833 C.ar 1 UNL11 0.1054 12 C -0.9515 4.4814 0.4642 C.3 1 UNL11 -0.2703 13 C -1.2359 -2.6523 -0.3765 C.ar 1 UNL11 0.0102 14 C 2.2689 1.4801 0.8543 C.ar 1 UNL11 0.2994 15 C 1.4863 0.8729 -1.3274 C.ar 1 UNL11 -0.0716 16 C 1.6376 2.7204 0.7738 C.ar 1 UNL11 -0.3425 17 C 4.3628 -0.6684 -0.4061 C.ar 1 UNL11 0.2988 18 C 3.2373 -3.0575 0.3843 C.ar 1 UNL11 -0.2556 19 C 0.8341 2.1022 -1.4217 C.ar 1 UNL11 -0.2476 20 C -1.8378 3.2810 0.3337 C.ar 1 UNL11 -0.0138 21 C -1.9025 -1.4248 -0.4616 C.ar 1 UNL11 -0.2306 22 C 5.1772 -1.7957 -0.3113 C.ar 1 UNL11 -0.3299 23 C 4.5951 -2.9951 0.0952 C.ar 1 UNL11 -0.0623 24 C -1.9448 -3.8081 -0.0606 C.ar 1 UNL11 -0.1589 25 C -3.2621 -1.3567 -0.1937 C.ar 1 UNL11 0.1391 26 C -1.7719 2.2675 1.2950 C.ar 1 UNL11 -0.1256 27 C -2.6772 3.1447 -0.7750 C.ar 1 UNL11 -0.1394 28 C -3.2625 0.9503 -0.0310 C.ar 1 UNL11 0.1829 29 C -3.9781 -2.5292 0.1220 C.ar 1 UNL11 0.1899 30 C -3.3201 -3.7532 0.1798 C.ar 1 UNL11 -0.2555 31 C -2.4874 1.0894 1.1200 C.ar 1 UNL11 -0.2180 32 C -3.3965 1.9693 -0.9721 C.ar 1 UNL11 -0.1992 33 H 0.8020 -2.6309 1.5053 H 1 UNL11 0.1550 34 H 0.5248 -1.0385 0.8090 H 1 UNL11 0.1673 35 H 0.6133 -3.7132 -0.7619 H 1 UNL11 0.1465 36 H 0.4988 -2.1373 -1.5413 H 1 UNL11 0.1568 37 H 0.9657 5.1801 -0.3092 H 1 UNL11 0.1498 38 H -0.1113 4.5305 -1.5450 H 1 UNL11 0.1502 39 H -0.5790 4.5924 1.5021 H 1 UNL11 0.1470 40 H -1.5143 5.4124 0.2543 H 1 UNL11 0.1461 41 H 1.4289 0.1627 -2.1528 H 1 UNL11 0.1565 42 H 1.7044 3.4310 1.5881 H 1 UNL11 0.1592 43 H 2.7942 -3.9993 0.6960 H 1 UNL11 0.1560 44 H 0.2585 2.3350 -2.3134 H 1 UNL11 0.1584 45 H -1.3474 -0.5237 -0.7291 H 1 UNL11 0.1829 46 H 6.2339 -1.7429 -0.5418 H 1 UNL11 0.1590 47 H 5.2125 -3.8879 0.1852 H 1 UNL11 0.1444 48 H -1.4305 -4.7645 0.0042 H 1 UNL11 0.1527 49 H -1.1378 2.3889 2.1717 H 1 UNL11 0.1547 50 H -2.7516 3.9509 -1.5017 H 1 UNL11 0.1501 51 H -3.8670 -4.6597 0.4193 H 1 UNL11 0.1567 52 H -2.4346 0.2839 1.8489 H 1 UNL11 0.1721 53 H -4.0368 1.8318 -1.8397 H 1 UNL11 0.1712 54 H 2.9960 1.8057 2.6397 H 1 UNL11 0.3201 55 H 5.8205 0.5071 -0.9689 H 1 UNL11 0.3212 56 H -5.7336 -3.2502 0.5663 H 1 UNL11 0.3162 @BOND 1 1 25 1 2 1 28 1 3 2 14 1 4 2 54 1 5 3 17 1 6 3 55 1 7 4 29 1 8 4 56 1 9 5 6 1 10 5 8 1 11 5 33 1 12 5 34 1 13 6 7 ar 14 6 18 ar 15 7 9 1 16 7 17 ar 17 8 13 1 18 8 35 1 19 8 36 1 20 9 14 ar 21 9 15 ar 22 10 11 1 23 10 12 1 24 10 37 1 25 10 38 1 26 11 16 ar 27 11 19 ar 28 12 20 1 29 12 39 1 30 12 40 1 31 13 21 ar 32 13 24 ar 33 14 16 ar 34 15 19 ar 35 15 41 1 36 16 42 1 37 17 22 ar 38 18 23 ar 39 18 43 1 40 19 44 1 41 20 26 ar 42 20 27 ar 43 21 25 ar 44 21 45 1 45 22 23 ar 46 22 46 1 47 23 47 1 48 24 30 ar 49 24 48 1 50 25 29 ar 51 26 31 ar 52 26 49 1 53 27 32 ar 54 27 50 1 55 28 31 ar 56 28 32 ar 57 29 30 ar 58 30 51 1 59 31 52 1 60 32 53 1