@MOLECULE 3',6'-dihydroxy-5-isothiocyanato-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 39 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -7.3301 0.1195 0.9072 S.2 1 UNL1111111111 -0.1940 2 O 0.6967 -0.0572 -1.9922 O.3 1 UNL1111111111 -0.3800 3 O 3.3789 0.2082 0.8703 O.3 1 UNL1111111111 -0.2677 4 O -0.9313 -0.1968 -3.5188 O.2 1 UNL1111111111 -0.4038 5 O 3.9500 -4.4714 0.8794 O.3 1 UNL1111111111 -0.4584 6 O 3.3370 4.8367 0.7701 O.3 1 UNL1111111111 -0.4581 7 N -4.6676 -0.4465 0.5409 N.2 1 UNL1111111111 -0.4193 8 C 0.8351 -0.0198 -0.5361 C.3 1 UNL1111111111 0.3036 9 C -0.5904 -0.1211 -0.0271 C.ar 1 UNL1111111111 -0.0517 10 C 1.6658 -1.1945 -0.1532 C.ar 1 UNL1111111111 -0.2556 11 C 1.4699 1.2858 -0.2026 C.ar 1 UNL1111111111 -0.2531 12 C -1.4533 -0.2022 -1.1312 C.ar 1 UNL1111111111 -0.1504 13 C 2.8779 -1.0136 0.5116 C.ar 1 UNL1111111111 0.3128 14 C 2.6952 1.3237 0.4680 C.ar 1 UNL1111111111 0.3013 15 C -0.6257 -0.1596 -2.3638 C.2 1 UNL1111111111 0.5735 16 C -1.0747 -0.1408 1.2662 C.ar 1 UNL1111111111 -0.1068 17 C 1.2659 -2.4992 -0.4759 C.ar 1 UNL1111111111 0.0066 18 C 0.8754 2.4946 -0.5789 C.ar 1 UNL1111111111 0.0183 19 C -2.8183 -0.3013 -0.9845 C.ar 1 UNL1111111111 -0.1187 20 C 3.6951 -2.0808 0.8946 C.ar 1 UNL1111111111 -0.4025 21 C 3.3317 2.5171 0.8066 C.ar 1 UNL1111111111 -0.3391 22 C -2.4562 -0.2393 1.4507 C.ar 1 UNL1111111111 -0.1619 23 C 2.0439 -3.5875 -0.1209 C.ar 1 UNL1111111111 -0.2983 24 C 1.4742 3.7075 -0.2684 C.ar 1 UNL1111111111 -0.3604 25 C -3.3124 -0.3133 0.3392 C.ar 1 UNL1111111111 0.2277 26 C 3.2504 -3.3591 0.5637 C.ar 1 UNL1111111111 0.3610 27 C 2.6942 3.6980 0.4243 C.ar 1 UNL1111111111 0.3588 28 C -5.8067 -0.1160 0.6953 C.1 1 UNL1111111111 0.3392 29 H -0.4022 -0.0822 2.1226 H 1 UNL1111111111 0.1759 30 H 0.3288 -2.6510 -1.0185 H 1 UNL1111111111 0.1649 31 H -0.0702 2.4784 -1.1277 H 1 UNL1111111111 0.1626 32 H -3.4880 -0.3700 -1.8421 H 1 UNL1111111111 0.1896 33 H 4.6279 -1.9026 1.4147 H 1 UNL1111111111 0.1864 34 H 4.2819 2.5309 1.3337 H 1 UNL1111111111 0.2001 35 H -2.8718 -0.2616 2.4588 H 1 UNL1111111111 0.1753 36 H 1.7491 -4.6058 -0.3625 H 1 UNL1111111111 0.1859 37 H 1.0106 4.6432 -0.5604 H 1 UNL1111111111 0.1702 38 H 4.8011 -4.2680 1.3429 H 1 UNL1111111111 0.3334 39 H 2.8616 5.6486 0.4618 H 1 UNL1111111111 0.3326 @BOND 1 1 28 2 2 2 8 1 3 2 15 1 4 3 13 1 5 3 14 1 6 4 15 2 7 5 26 1 8 5 38 1 9 6 27 1 10 6 39 1 11 7 25 1 12 7 28 2 13 8 9 1 14 8 10 1 15 8 11 1 16 9 12 ar 17 9 16 ar 18 10 13 ar 19 10 17 ar 20 11 14 ar 21 11 18 ar 22 12 15 1 23 12 19 ar 24 13 20 ar 25 14 21 ar 26 16 22 ar 27 16 29 1 28 17 23 ar 29 17 30 1 30 18 24 ar 31 18 31 1 32 19 25 ar 33 19 32 1 34 20 26 ar 35 20 33 1 36 21 27 ar 37 21 34 1 38 22 25 ar 39 22 35 1 40 23 26 ar 41 23 36 1 42 24 27 ar 43 24 37 1