@MOLECULE 2-[(2-hydroxyethyl)sulfanyl]-1,4-naphthoquinone 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.5150 0.3975 0.0056 C.ar 1 UNL1111111111 -0.1300 2 C -4.3119 -0.9793 0.0118 C.ar 1 UNL1111111111 -0.1380 3 C -3.0150 -1.4977 0.0108 C.ar 1 UNL1111111111 -0.0946 4 C -1.9238 -0.6320 0.0036 C.ar 1 UNL1111111111 -0.1237 5 C -2.1295 0.7511 -0.0006 C.ar 1 UNL1111111111 -0.1142 6 C -3.4219 1.2671 -0.0002 C.ar 1 UNL1111111111 -0.0985 7 C -0.9737 1.6804 -0.0050 C.2 1 UNL1111111111 0.4489 8 C 0.3791 1.0867 -0.0084 C.2 1 UNL1111111111 -0.2790 9 C 0.5873 -0.2366 -0.0071 C.2 1 UNL1111111111 -0.1344 10 C -0.5552 -1.2026 -0.0001 C.2 1 UNL1111111111 0.4404 11 O -0.3814 -2.3974 0.0021 O.2 1 UNL1111111111 -0.3859 12 O -1.1285 2.8797 -0.0061 O.2 1 UNL1111111111 -0.4063 13 S 2.1473 -1.0299 -0.0141 S.3 1 UNL1111111111 0.1441 14 C 3.3526 0.3465 -0.0094 C.3 1 UNL1111111111 -0.3717 15 C 4.7641 -0.2389 -0.0074 C.3 1 UNL1111111111 0.0136 16 O 5.5957 0.9145 0.0388 O.3 1 UNL1111111111 -0.5502 17 H -5.5272 0.8013 0.0055 H 1 UNL1111111111 0.1577 18 H -5.1648 -1.6577 0.0175 H 1 UNL1111111111 0.1579 19 H -2.8508 -2.5790 0.0153 H 1 UNL1111111111 0.1762 20 H -3.5723 2.3506 -0.0042 H 1 UNL1111111111 0.1785 21 H 1.1784 1.8328 -0.0129 H 1 UNL1111111111 0.1896 22 H 3.2230 1.0037 -0.8925 H 1 UNL1111111111 0.1780 23 H 3.2191 0.9965 0.8790 H 1 UNL1111111111 0.1795 24 H 4.9747 -0.8581 0.8850 H 1 UNL1111111111 0.1241 25 H 4.9960 -0.8077 -0.9270 H 1 UNL1111111111 0.1226 26 H 6.5370 0.6581 0.0059 H 1 UNL1111111111 0.3155 @BOND 1 1 2 ar 2 1 6 ar 3 1 17 1 4 2 3 ar 5 2 18 1 6 3 4 ar 7 3 19 1 8 4 5 ar 9 4 10 1 10 5 6 ar 11 5 7 1 12 6 20 1 13 7 8 1 14 7 12 2 15 8 9 2 16 8 21 1 17 9 10 1 18 9 13 1 19 10 11 2 20 13 14 1 21 14 15 1 22 14 22 1 23 14 23 1 24 15 16 1 25 15 24 1 26 15 25 1 27 16 26 1