@MOLECULE 4-[(1r)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl hydrogen sulfate 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1145 0.0879 0.4284 S.O2 1 UNL1111111111 2.5487 2 O 4.1334 1.2770 -0.5843 O.3 1 UNL1111111111 -0.5570 3 O -2.0033 0.5390 -0.7163 O.3 1 UNL1111111111 -0.6554 4 O -0.7408 -2.0813 -0.7587 O.3 1 UNL1111111111 -0.4840 5 O -4.4374 0.2267 -0.5172 O.3 1 UNL1111111111 -0.7847 6 O -2.8690 -1.3071 0.6922 O.2 1 UNL1111111111 -0.8914 7 O -3.2010 1.0753 1.4529 O.2 1 UNL1111111111 -0.8576 8 N 5.5173 -0.5639 1.0419 N.3 1 UNL1111111111 -0.6518 9 C 3.5935 -0.0087 -0.3536 C.3 1 UNL1111111111 0.1402 10 C 2.0951 0.1214 -0.3991 C.ar 1 UNL1111111111 -0.0003 11 C 4.0396 -0.5249 1.0414 C.3 1 UNL1111111111 -0.1671 12 C 1.3240 -1.0274 -0.5577 C.ar 1 UNL1111111111 -0.2602 13 C 1.4925 1.3750 -0.2750 C.ar 1 UNL1111111111 -0.1741 14 C -0.0711 -0.9239 -0.5944 C.ar 1 UNL1111111111 0.2537 15 C -0.6673 0.3462 -0.4939 C.ar 1 UNL1111111111 0.1029 16 C 0.1077 1.4927 -0.3277 C.ar 1 UNL1111111111 -0.1381 17 H 3.9732 -0.6665 -1.1709 H 1 UNL1111111111 0.1363 18 H 3.5649 -1.5021 1.2601 H 1 UNL1111111111 0.1289 19 H 3.6937 0.1903 1.8202 H 1 UNL1111111111 0.1574 20 H 1.7778 -2.0107 -0.6607 H 1 UNL1111111111 0.1759 21 H 2.1158 2.2634 -0.1530 H 1 UNL1111111111 0.1821 22 H -0.3747 2.4670 -0.2560 H 1 UNL1111111111 0.1710 23 H 5.0545 1.3041 -0.2273 H 1 UNL1111111111 0.3448 24 H 5.8758 -1.3663 0.5504 H 1 UNL1111111111 0.2517 25 H 5.8963 -0.5541 1.9739 H 1 UNL1111111111 0.2554 26 H -1.6532 -2.0528 -0.3384 H 1 UNL1111111111 0.3775 27 H -4.7662 1.1242 -0.6973 H 1 UNL1111111111 0.3953 @BOND 1 1 3 1 2 1 5 1 3 1 6 2 4 1 7 2 5 2 9 1 6 2 23 1 7 3 15 1 8 4 14 1 9 4 26 1 10 5 27 1 11 8 11 1 12 8 24 1 13 8 25 1 14 9 10 1 15 9 11 1 16 9 17 1 17 10 12 ar 18 10 13 ar 19 11 18 1 20 11 19 1 21 12 14 ar 22 12 20 1 23 13 16 ar 24 13 21 1 25 14 15 ar 26 15 16 ar 27 16 22 1