@MOLECULE 4-allyl-3',6'-dihydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4413 -0.2566 1.5484 O.3 1 UNL1111111111 -0.3867 2 O 2.9549 0.7294 -0.3338 O.3 1 UNL1111111111 -0.2718 3 O -2.4453 -0.8448 2.3358 O.2 1 UNL1111111111 -0.4381 4 O 4.6238 -3.5735 0.0806 O.3 1 UNL1111111111 -0.4629 5 O 1.7780 5.2937 -0.1369 O.3 1 UNL1111111111 -0.4633 6 C 0.2241 -0.0875 0.2622 C.3 1 UNL1111111111 0.2921 7 C -0.8446 -0.4335 -0.7596 C.ar 1 UNL1111111111 -0.0087 8 C 1.3712 -1.0381 0.2348 C.ar 1 UNL1111111111 -0.2426 9 C 0.6476 1.3385 0.1705 C.ar 1 UNL1111111111 -0.2449 10 C -2.0270 -0.7538 -0.0713 C.ar 1 UNL1111111111 -0.2315 11 C 2.6575 -0.5797 -0.0604 C.ar 1 UNL1111111111 0.2997 12 C 1.9730 1.6598 -0.1204 C.ar 1 UNL1111111111 0.3106 13 C -1.7561 -0.6484 1.3758 C.2 1 UNL1111111111 0.5918 14 C -3.1869 -1.0862 -0.7491 C.ar 1 UNL1111111111 0.1266 15 C -0.7870 -0.4545 -2.1355 C.ar 1 UNL1111111111 -0.1703 16 C 1.1896 -2.3956 0.5135 C.ar 1 UNL1111111111 0.0186 17 C -0.2668 2.3792 0.3790 C.ar 1 UNL1111111111 0.0071 18 C -3.1308 -1.1125 -2.1543 C.ar 1 UNL1111111111 -0.2128 19 C -1.9555 -0.8048 -2.8296 C.ar 1 UNL1111111111 -0.0819 20 C 3.7613 -1.4285 -0.1222 C.ar 1 UNL1111111111 -0.3388 21 C 2.4182 2.9784 -0.2438 C.ar 1 UNL1111111111 -0.4015 22 C -4.4613 -1.3751 -0.0233 C.3 1 UNL1111111111 -0.3179 23 C 2.2609 -3.2784 0.4710 C.ar 1 UNL1111111111 -0.3593 24 C 0.1297 3.7023 0.2735 C.ar 1 UNL1111111111 -0.2953 25 C 3.5303 -2.7780 0.1486 C.ar 1 UNL1111111111 0.3548 26 C 1.4701 3.9797 -0.0421 C.ar 1 UNL1111111111 0.3562 27 C -5.2559 -0.1038 0.0664 C.2 1 UNL1111111111 -0.1212 28 C -5.2647 0.6572 1.1595 C.2 1 UNL1111111111 -0.3066 29 H 0.1266 -0.2078 -2.6707 H 1 UNL1111111111 0.1695 30 H 0.1912 -2.7600 0.7705 H 1 UNL1111111111 0.1640 31 H -1.3033 2.1361 0.6291 H 1 UNL1111111111 0.1656 32 H -4.0257 -1.3726 -2.7163 H 1 UNL1111111111 0.1583 33 H -1.9368 -0.8312 -3.9198 H 1 UNL1111111111 0.1519 34 H 4.7553 -1.0606 -0.3591 H 1 UNL1111111111 0.1979 35 H 3.4540 3.1924 -0.4772 H 1 UNL1111111111 0.1842 36 H -5.0484 -2.1675 -0.5319 H 1 UNL1111111111 0.1573 37 H -4.2527 -1.7819 0.9957 H 1 UNL1111111111 0.1867 38 H 2.1180 -4.3307 0.6871 H 1 UNL1111111111 0.1681 39 H -0.5662 4.5220 0.4320 H 1 UNL1111111111 0.1838 40 H -5.8113 0.1538 -0.8324 H 1 UNL1111111111 0.1387 41 H 4.4187 -4.5164 0.2987 H 1 UNL1111111111 0.3313 42 H 2.7337 5.4463 -0.3422 H 1 UNL1111111111 0.3320 43 H -5.8222 1.5765 1.2429 H 1 UNL1111111111 0.1435 44 H -4.7092 0.4182 2.0586 H 1 UNL1111111111 0.1659 @BOND 1 1 6 1 2 1 13 1 3 2 11 1 4 2 12 1 5 3 13 2 6 4 25 1 7 4 41 1 8 5 26 1 9 5 42 1 10 6 7 1 11 6 8 1 12 6 9 1 13 7 10 ar 14 7 15 ar 15 8 11 ar 16 8 16 ar 17 9 12 ar 18 9 17 ar 19 10 13 1 20 10 14 ar 21 11 20 ar 22 12 21 ar 23 14 18 ar 24 14 22 1 25 15 19 ar 26 15 29 1 27 16 23 ar 28 16 30 1 29 17 24 ar 30 17 31 1 31 18 19 ar 32 18 32 1 33 19 33 1 34 20 25 ar 35 20 34 1 36 21 26 ar 37 21 35 1 38 22 27 1 39 22 36 1 40 22 37 1 41 23 25 ar 42 23 38 1 43 24 26 ar 44 24 39 1 45 27 28 2 46 27 40 1 47 28 43 1 48 28 44 1