@MOLECULE 3',6'-dihydroxy-4',5'-dimethyl-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 43 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4223 -0.0036 1.6799 O.3 1 UNL1111111111 -0.3828 2 O 2.0731 0.0048 -0.3754 O.3 1 UNL1111111111 -0.2634 3 O -3.5266 -0.0124 2.4356 O.2 1 UNL1111111111 -0.4225 4 O 2.2996 4.7157 0.0707 O.3 1 UNL1111111111 -0.4626 5 O 2.4794 -4.6093 0.0297 O.3 1 UNL1111111111 -0.4636 6 C -0.7200 -0.0050 0.4030 C.3 1 UNL1111111111 0.2905 7 C 0.0989 1.2391 0.3376 C.ar 1 UNL1111111111 -0.2316 8 C 0.1068 -1.2441 0.3465 C.ar 1 UNL1111111111 -0.2261 9 C -1.8295 -0.0134 -0.6340 C.ar 1 UNL1111111111 -0.0187 10 C 1.4368 1.1749 -0.0513 C.ar 1 UNL1111111111 0.2674 11 C 1.4443 -1.1676 -0.0463 C.ar 1 UNL1111111111 0.2508 12 C -3.0628 -0.0165 0.0373 C.ar 1 UNL1111111111 -0.1906 13 C -2.7936 -0.0106 1.4901 C.2 1 UNL1111111111 0.5781 14 C -0.4548 2.4829 0.6593 C.ar 1 UNL1111111111 -0.0123 15 C -0.4310 -2.4902 0.6733 C.ar 1 UNL1111111111 -0.0045 16 C -1.7631 -0.0176 -2.0109 C.ar 1 UNL1111111111 -0.1489 17 C 2.2454 2.3127 -0.1690 C.ar 1 UNL1111111111 -0.2032 18 C 2.2648 -2.2952 -0.1669 C.ar 1 UNL1111111111 -0.1366 19 C -4.2581 -0.0240 -0.6531 C.ar 1 UNL1111111111 -0.0614 20 C 0.3055 3.6370 0.5634 C.ar 1 UNL1111111111 -0.2834 21 C 0.3451 -3.6378 0.5781 C.ar 1 UNL1111111111 -0.3410 22 C 1.6408 3.5355 0.1448 C.ar 1 UNL1111111111 0.3183 23 C 1.6752 -3.5239 0.1535 C.ar 1 UNL1111111111 0.3126 24 C -2.9738 -0.0253 -2.7179 C.ar 1 UNL1111111111 -0.0998 25 C -4.1985 -0.0285 -2.0530 C.ar 1 UNL1111111111 -0.1771 26 C 3.6667 2.2263 -0.5917 C.3 1 UNL1111111111 -0.4226 27 C 3.6787 -2.1709 -0.5984 C.3 1 UNL1111111111 -0.4109 28 H -1.4942 2.5369 0.9922 H 1 UNL1111111111 0.1667 29 H -1.4686 -2.5565 1.0093 H 1 UNL1111111111 0.1655 30 H -0.8086 -0.0146 -2.5344 H 1 UNL1111111111 0.1685 31 H -5.2130 -0.0259 -0.1287 H 1 UNL1111111111 0.1663 32 H -0.1061 4.6134 0.8076 H 1 UNL1111111111 0.1833 33 H -0.0720 -4.6062 0.8319 H 1 UNL1111111111 0.1674 34 H -2.9525 -0.0284 -3.8074 H 1 UNL1111111111 0.1513 35 H -5.1236 -0.0342 -2.6268 H 1 UNL1111111111 0.1545 36 H 3.8440 2.7518 -1.5417 H 1 UNL1111111111 0.1513 37 H 4.3467 2.6386 0.1691 H 1 UNL1111111111 0.1526 38 H 3.9921 1.1846 -0.7538 H 1 UNL1111111111 0.1749 39 H 3.7610 -1.6532 -1.5662 H 1 UNL1111111111 0.1564 40 H 4.2679 -1.5923 0.1306 H 1 UNL1111111111 0.1598 41 H 4.1717 -3.1489 -0.7100 H 1 UNL1111111111 0.1672 42 H 3.2424 4.6091 -0.2103 H 1 UNL1111111111 0.3311 43 H 2.0174 -5.4452 0.2861 H 1 UNL1111111111 0.3293 @BOND 1 1 6 1 2 1 13 1 3 2 10 1 4 2 11 1 5 3 13 2 6 4 22 1 7 4 42 1 8 5 23 1 9 5 43 1 10 6 7 1 11 6 8 1 12 6 9 1 13 7 10 ar 14 7 14 ar 15 8 11 ar 16 8 15 ar 17 9 12 ar 18 9 16 ar 19 10 17 ar 20 11 18 ar 21 12 13 1 22 12 19 ar 23 14 20 ar 24 14 28 1 25 15 21 ar 26 15 29 1 27 16 24 ar 28 16 30 1 29 17 22 ar 30 17 26 1 31 18 23 ar 32 18 27 1 33 19 25 ar 34 19 31 1 35 20 22 ar 36 20 32 1 37 21 23 ar 38 21 33 1 39 24 25 ar 40 24 34 1 41 25 35 1 42 26 36 1 43 26 37 1 44 26 38 1 45 27 39 1 46 27 40 1 47 27 41 1