@MOLECULE 5-(bromomethyl)-3',6'-dihydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 BR -5.3024 0.1577 0.5887 Br 1 UNL1111111111 -0.0982 2 O 1.0633 -0.2211 -2.0671 O.3 1 UNL1111111111 -0.3857 3 O 3.4705 0.6768 1.0435 O.3 1 UNL1111111111 -0.2717 4 O -0.5196 -0.7837 -3.5442 O.2 1 UNL1111111111 -0.4140 5 O 5.0542 -3.7663 1.1260 O.3 1 UNL1111111111 -0.4616 6 O 2.7103 5.2181 0.5253 O.3 1 UNL1111111111 -0.4615 7 C 1.2083 -0.0698 -0.6242 C.3 1 UNL1111111111 0.2962 8 C -0.1665 -0.4070 -0.0740 C.ar 1 UNL1111111111 -0.0225 9 C 2.2442 -1.0422 -0.1761 C.ar 1 UNL1111111111 -0.2495 10 C 1.5906 1.3461 -0.3606 C.ar 1 UNL1111111111 -0.2470 11 C -1.0070 -0.7297 -1.1507 C.ar 1 UNL1111111111 -0.1853 12 C 3.3007 -0.6171 0.6288 C.ar 1 UNL1111111111 0.3099 13 C 2.6867 1.6356 0.4571 C.ar 1 UNL1111111111 0.2977 14 C -0.2227 -0.6086 -2.3991 C.2 1 UNL1111111111 0.5778 15 C -0.6305 -0.4321 1.2247 C.ar 1 UNL1111111111 -0.1438 16 C 2.1841 -2.3910 -0.5506 C.ar 1 UNL1111111111 0.0061 17 C 0.8730 2.4061 -0.9212 C.ar 1 UNL1111111111 0.0200 18 C -2.3250 -1.0837 -0.9561 C.ar 1 UNL1111111111 -0.0661 19 C -2.8065 -1.1149 0.3637 C.ar 1 UNL1111111111 -0.0412 20 C -1.9675 -0.7909 1.4335 C.ar 1 UNL1111111111 -0.1046 21 C 4.2801 -1.4899 1.1092 C.ar 1 UNL1111111111 -0.4006 22 C 3.0693 2.9389 0.7682 C.ar 1 UNL1111111111 -0.3377 23 C 3.1371 -3.2920 -0.1052 C.ar 1 UNL1111111111 -0.2974 24 C 1.2226 3.7219 -0.6462 C.ar 1 UNL1111111111 -0.3576 25 C 4.1696 -2.8250 0.7252 C.ar 1 UNL1111111111 0.3574 26 C 2.3130 3.9658 0.2006 C.ar 1 UNL1111111111 0.3559 27 C -4.2209 -1.4814 0.6154 C.3 1 UNL1111111111 -0.2499 28 H 0.0163 -0.1803 2.0631 H 1 UNL1111111111 0.1714 29 H 1.3753 -2.7276 -1.2050 H 1 UNL1111111111 0.1652 30 H 0.0308 2.1913 -1.5845 H 1 UNL1111111111 0.1654 31 H -2.9725 -1.3255 -1.7995 H 1 UNL1111111111 0.1728 32 H -2.3585 -0.8109 2.4524 H 1 UNL1111111111 0.1589 33 H 5.0833 -1.1272 1.7393 H 1 UNL1111111111 0.1852 34 H 3.9186 3.1497 1.4119 H 1 UNL1111111111 0.1983 35 H 3.1067 -4.3418 -0.3853 H 1 UNL1111111111 0.1843 36 H 0.6634 4.5426 -1.0812 H 1 UNL1111111111 0.1699 37 H -4.3868 -1.9497 1.5999 H 1 UNL1111111111 0.1677 38 H -4.6468 -2.1491 -0.1531 H 1 UNL1111111111 0.1713 39 H 5.7752 -3.3941 1.6927 H 1 UNL1111111111 0.3325 40 H 2.1612 5.9147 0.0868 H 1 UNL1111111111 0.3321 @BOND 1 1 27 1 2 2 7 1 3 2 14 1 4 3 12 1 5 3 13 1 6 4 14 2 7 5 25 1 8 5 39 1 9 6 26 1 10 6 40 1 11 7 8 1 12 7 9 1 13 7 10 1 14 8 11 ar 15 8 15 ar 16 9 12 ar 17 9 16 ar 18 10 13 ar 19 10 17 ar 20 11 14 1 21 11 18 ar 22 12 21 ar 23 13 22 ar 24 15 20 ar 25 15 28 1 26 16 23 ar 27 16 29 1 28 17 24 ar 29 17 30 1 30 18 19 ar 31 18 31 1 32 19 20 ar 33 19 27 1 34 20 32 1 35 21 25 ar 36 21 33 1 37 22 26 ar 38 22 34 1 39 23 25 ar 40 23 35 1 41 24 26 ar 42 24 36 1 43 27 37 1 44 27 38 1