@MOLECULE (2S)-3-(3-chloro-4-hydroxy-phenyl)-2-(methylamino)propanoic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.7193 -0.7897 -0.3680 N.3 1 UNL111111111 -0.5164 2 C -4.6487 -0.7724 0.7780 C.3 1 UNL111111111 -0.2748 3 CA -2.3514 -0.4114 0.0073 C.3 1 UNL111111111 -0.0015 4 C -1.4039 -0.7790 -1.1603 C.3 1 UNL111111111 -0.2904 5 C 0.0088 -0.8347 -0.6769 C.ar 1 UNL111111111 -0.0521 6 C 0.7988 0.3145 -0.6850 C.ar 1 UNL111111111 -0.1049 7 C 2.0987 0.2471 -0.2015 C.ar 1 UNL111111111 -0.1341 8 CL 3.0509 1.6619 -0.1972 Cl 1 UNL111111111 -0.0709 9 C 2.6224 -0.9525 0.2800 C.ar 1 UNL111111111 0.2647 10 O 3.8759 -1.1131 0.7620 O.3 1 UNL111111111 -0.4535 11 C 1.8328 -2.1110 0.2851 C.ar 1 UNL111111111 -0.2224 12 C 0.5317 -2.0405 -0.1915 C.ar 1 UNL111111111 -0.0999 13 C -2.2291 1.0900 0.2479 C.2 1 UNL111111111 0.5814 14 O -2.7819 1.9738 -0.3518 O.2 1 UNL111111111 -0.5157 15 OXT -1.3841 1.3490 1.2709 O.3 1 UNL111111111 -0.5488 16 H -4.0698 -0.2073 -1.1322 H 1 UNL111111111 0.2730 17 H -4.3077 -1.4863 1.5465 H 1 UNL111111111 0.1499 18 H -5.6380 -1.1174 0.4296 H 1 UNL111111111 0.1519 19 H -4.7733 0.2161 1.2468 H 1 UNL111111111 0.1280 20 HA -2.0484 -0.9750 0.9319 H 1 UNL111111111 0.1830 21 H -1.7245 -1.7608 -1.5788 H 1 UNL111111111 0.1815 22 H -1.5226 -0.0656 -2.0015 H 1 UNL111111111 0.1642 23 H 0.3968 1.2576 -1.0611 H 1 UNL111111111 0.1743 24 H 4.4112 -0.2785 0.7451 H 1 UNL111111111 0.3381 25 H 2.2534 -3.0411 0.6627 H 1 UNL111111111 0.1786 26 H -0.0938 -2.9345 -0.1861 H 1 UNL111111111 0.1611 27 HXT -1.2550 2.3132 1.4564 H 1 UNL111111111 0.3559 @BOND 1 1 2 1 2 1 3 1 3 1 16 1 4 2 17 1 5 2 18 1 6 2 19 1 7 3 4 1 8 3 13 1 9 3 20 1 10 4 5 1 11 4 21 1 12 4 22 1 13 5 6 ar 14 5 12 ar 15 6 7 ar 16 6 23 1 17 7 8 1 18 7 9 ar 19 9 10 1 20 9 11 ar 21 10 24 1 22 11 12 ar 23 11 25 1 24 12 26 1 25 13 14 2 26 13 15 1 27 15 27 1