@MOLECULE (7s)-7-(3,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxy-2-propanyl)-9-(3-methyl-2-buten-1-yl)-2,3,6,7-tetrahydro-5h-furo[3,2-g]chromen-5-one 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2792 -1.2752 0.2140 O.3 1 UNL111111 -0.3033 2 O 1.0416 0.4355 -0.4974 O.3 1 UNL111111 -0.3237 3 O -5.2816 -0.1388 -1.6202 O.3 1 UNL111111 -0.5579 4 O -2.6133 3.2676 0.8699 O.3 1 UNL111111 -0.4535 5 O -0.1038 4.1642 0.6823 O.2 1 UNL111111 -0.5279 6 O 4.9085 -1.9019 0.8195 O.3 1 UNL111111 -0.3380 7 O 7.0431 -0.6136 -0.3473 O.3 1 UNL111111 -0.3302 8 C -4.5803 -0.6984 0.5492 C.3 1 UNL111111 0.0697 9 C -4.3767 0.8261 0.7396 C.3 1 UNL111111 -0.2495 10 C -5.5404 -1.0811 -0.5980 C.3 1 UNL111111 0.3074 11 C -2.9131 0.9806 0.5087 C.ar 1 UNL111111 -0.3039 12 C -2.3716 -0.2776 0.1800 C.ar 1 UNL111111 0.3651 13 C -1.0332 -0.4875 -0.1456 C.ar 1 UNL111111 -0.2763 14 C -2.0810 2.0859 0.5460 C.ar 1 UNL111111 0.4457 15 C -0.2318 0.6617 -0.1222 C.ar 1 UNL111111 0.3894 16 C -0.6961 1.9328 0.2624 C.ar 1 UNL111111 -0.5141 17 C -6.9932 -0.9210 -0.1387 C.3 1 UNL111111 -0.5114 18 C -5.2566 -2.4936 -1.1061 C.3 1 UNL111111 -0.5060 19 C 1.9121 1.5601 -0.6967 C.3 1 UNL111111 0.1127 20 C 1.6994 2.6651 0.3287 C.3 1 UNL111111 -0.4287 21 C -0.4688 -1.8293 -0.4684 C.3 1 UNL111111 -0.2341 22 C 0.2344 3.0224 0.4272 C.2 1 UNL111111 0.5501 23 C 3.2794 0.9397 -0.5644 C.ar 1 UNL111111 -0.0053 24 C 0.2700 -2.3707 0.7019 C.2 1 UNL111111 -0.1644 25 C 3.4384 -0.2067 0.1183 C.ar 1 UNL111111 -0.2420 26 C 4.4024 1.6119 -1.2064 C.ar 1 UNL111111 -0.1030 27 C 1.4523 -3.1242 0.5734 C.2 1 UNL111111 -0.4126 28 C 4.7497 -0.8613 0.2379 C.ar 1 UNL111111 0.3436 29 C 5.6441 1.1069 -1.1399 C.ar 1 UNL111111 -0.2466 30 C 5.9359 -0.1511 -0.4231 C.ar 1 UNL111111 0.3357 31 C 2.1281 -3.6454 1.8077 C.3 1 UNL111111 -0.3879 32 C 2.0262 -3.4125 -0.6007 C.3 1 UNL111111 0.3350 33 H -4.8547 -1.2158 1.4898 H 1 UNL111111 0.1418 34 H -4.6847 1.1645 1.7438 H 1 UNL111111 0.1551 35 H -4.9654 1.4227 0.0118 H 1 UNL111111 0.1828 36 H -7.1888 0.1074 0.1920 H 1 UNL111111 0.1650 37 H -7.2384 -1.5972 0.6859 H 1 UNL111111 0.1557 38 H -7.6934 -1.1300 -0.9539 H 1 UNL111111 0.1550 39 H -4.2638 -2.5400 -1.5803 H 1 UNL111111 0.1773 40 H -5.2557 -3.2261 -0.2915 H 1 UNL111111 0.1615 41 H -5.9938 -2.8210 -1.8473 H 1 UNL111111 0.1479 42 H 1.7060 1.9132 -1.7368 H 1 UNL111111 0.1545 43 H 2.3041 3.5621 0.0824 H 1 UNL111111 0.1876 44 H 2.0478 2.3515 1.3397 H 1 UNL111111 0.1964 45 H -1.2861 -2.5387 -0.7459 H 1 UNL111111 0.1651 46 H 0.1734 -1.7633 -1.3753 H 1 UNL111111 0.1533 47 H -5.7130 -0.3957 -2.4558 H 1 UNL111111 0.3178 48 H -0.1425 -2.1705 1.6795 H 1 UNL111111 0.1509 49 H -1.8985 3.9922 0.8840 H 1 UNL111111 0.3764 50 H 2.6060 -0.7351 0.6079 H 1 UNL111111 0.2136 51 H 4.1921 2.5411 -1.7410 H 1 UNL111111 0.1633 52 H 6.5057 1.5862 -1.6050 H 1 UNL111111 0.1790 53 H 1.9329 -4.7232 1.9419 H 1 UNL111111 0.1481 54 H 3.2171 -3.4987 1.7796 H 1 UNL111111 0.1620 55 H 1.7645 -3.1369 2.7122 H 1 UNL111111 0.1561 @BOND 1 47 3 1 2 3 10 1 3 38 17 1 4 35 9 1 5 36 17 1 6 49 4 1 7 4 14 1 8 17 10 1 9 17 37 1 10 5 22 2 11 41 18 1 12 42 19 1 13 10 18 1 14 10 8 1 15 14 11 ar 16 14 16 ar 17 9 11 1 18 9 34 1 19 9 8 1 20 22 16 1 21 22 20 1 22 51 26 1 23 18 39 1 24 18 40 1 25 11 12 ar 26 43 20 1 27 16 15 ar 28 8 1 1 29 8 33 1 30 19 20 1 31 19 2 1 32 19 23 1 33 20 44 1 34 15 2 1 35 15 13 ar 36 12 1 1 37 12 13 ar 38 26 23 ar 39 26 29 ar 40 13 21 1 41 46 21 1 42 23 25 ar 43 52 29 1 44 45 21 1 45 29 30 ar 46 21 24 1 47 25 50 1 48 25 28 ar 49 30 28 ar 50 30 7 1 51 24 48 1 52 24 27 2 53 32 27 1 54 28 6 1 55 27 31 1 56 31 54 1 57 31 55 1 58 31 53 1