@MOLECULE (2s)-2-amino-4h-1,3-benzoxathiin-4-ol 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.3670 -1.5645 -0.1149 C.3 1 UNL111111111 0.1448 2 O 0.5799 -1.9413 1.2212 O.3 1 UNL111111111 -0.5311 3 C -0.7903 -0.6270 -0.0927 C.ar 1 UNL111111111 -0.2064 4 C -0.6570 0.7543 0.0792 C.ar 1 UNL111111111 0.3101 5 C -1.7754 1.6068 0.0910 C.ar 1 UNL111111111 -0.2589 6 C -3.0387 1.0580 -0.0559 C.ar 1 UNL111111111 -0.0615 7 C -3.1946 -0.3232 -0.2152 C.ar 1 UNL111111111 -0.2276 8 C -2.0808 -1.1525 -0.2301 C.ar 1 UNL111111111 -0.0580 9 C 1.7448 0.7315 0.4116 C.3 1 UNL111111111 0.2559 10 O 0.5080 1.4249 0.2101 O.3 1 UNL111111111 -0.4409 11 N 2.7581 1.6986 0.1194 N.3 1 UNL111111111 -0.6219 12 S 1.8839 -0.7030 -0.7671 S.3 1 UNL111111111 -0.1354 13 H 0.1964 -2.4651 -0.7467 H 1 UNL111111111 0.1442 14 H 1.2470 -2.6585 1.2971 H 1 UNL111111111 0.3238 15 H -1.6287 2.6766 0.2177 H 1 UNL111111111 0.1751 16 H -3.9168 1.7041 -0.0454 H 1 UNL111111111 0.1525 17 H -4.1902 -0.7452 -0.3240 H 1 UNL111111111 0.1569 18 H -2.2100 -2.2295 -0.3461 H 1 UNL111111111 0.1517 19 H 1.7633 0.3765 1.4715 H 1 UNL111111111 0.1701 20 H 2.6978 2.1074 -0.8032 H 1 UNL111111111 0.2814 21 H 2.8363 2.4290 0.8131 H 1 UNL111111111 0.2754 @BOND 1 1 2 1 2 1 3 1 3 1 12 1 4 1 13 1 5 2 14 1 6 3 4 ar 7 3 8 ar 8 4 5 ar 9 4 10 1 10 5 6 ar 11 5 15 1 12 6 7 ar 13 6 16 1 14 7 8 ar 15 7 17 1 16 8 18 1 17 9 10 1 18 9 11 1 19 9 12 1 20 9 19 1 21 11 20 1 22 11 21 1