@MOLECULE (2R)-2-amino-3-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]propanoic acid 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.2173 1.2671 0.5331 N.3 1 UNL111111111 -0.9863 2 N -1.3093 -0.2663 0.2943 N.am 1 UNL111111111 -0.5766 3 CA -3.7915 -0.1119 0.2536 C.3 1 UNL111111111 0.3064 4 C -4.8987 -0.7923 -0.5278 C.2 1 UNL111111111 0.2107 5 C -2.4772 -0.2255 -0.5830 C.3 1 UNL111111111 -0.5186 6 C -0.7977 0.8988 0.8299 C.2 1 UNL111111111 0.5833 7 C 0.4594 0.7571 1.6644 C.3 1 UNL111111111 -0.9343 8 C 1.6566 0.6499 0.7727 C.ar 1 UNL111111111 0.3747 9 C 2.5298 -0.4354 0.9060 C.ar 1 UNL111111111 -0.3706 10 C 3.6460 -0.5067 0.0847 C.ar 1 UNL111111111 -0.0164 11 C 3.8894 0.4999 -0.8735 C.ar 1 UNL111111111 0.0037 12 C 3.0182 1.5777 -1.0027 C.ar 1 UNL111111111 -0.1853 13 C 1.9017 1.6465 -0.1725 C.ar 1 UNL111111111 -0.3755 14 C 4.2232 -2.7370 0.6223 C.3 1 UNL111111111 -0.8200 15 O -5.5844 -0.3423 -1.4044 O.2 1 UNL111111111 -0.3478 16 O -1.3376 1.9690 0.6308 O.2 1 UNL111111111 -0.4244 17 O 4.6231 -1.4607 0.1417 O.3 1 UNL111111111 -0.0198 18 O 4.9628 0.4798 -1.7027 O.3 1 UNL111111111 -0.3442 19 H1 -3.4297 1.8240 0.8511 H 1 UNL111111111 0.4084 20 H -0.8689 -1.1569 0.4413 H 1 UNL111111111 0.4193 21 HA -3.6517 -0.6260 1.2471 H 1 UNL111111111 0.2015 22 H -2.4011 0.6469 -1.2777 H 1 UNL111111111 0.2397 23 H -2.4895 -1.1413 -1.2144 H 1 UNL111111111 0.2595 24 H 0.5561 1.6628 2.3132 H 1 UNL111111111 0.3177 25 H 0.3813 -0.0912 2.3719 H 1 UNL111111111 0.3342 26 H 2.3444 -1.2003 1.6532 H 1 UNL111111111 0.2418 27 H 3.2188 2.3474 -1.7471 H 1 UNL111111111 0.2250 28 H 1.2108 2.4884 -0.2655 H 1 UNL111111111 0.2278 29 H 4.0380 -2.6970 1.7003 H 1 UNL111111111 0.2896 30 H 3.3505 -3.1119 0.0795 H 1 UNL111111111 0.2770 31 H 5.1074 -3.3534 0.4082 H 1 UNL111111111 0.3187 32 H 5.5233 -0.3233 -1.5397 H 1 UNL111111111 0.3549 33 H2 -4.6219 1.7126 -0.2809 H 1 UNL111111111 0.3921 34 OXT -5.0113 -2.0858 -0.1331 O.3 1 UNL111111111 -0.4221 35 HXT -5.7338 -2.5817 -0.5917 H 1 UNL111111111 0.3560 @BOND 1 1 3 1 2 1 19 1 3 1 33 1 4 2 6 am 5 2 20 1 6 3 4 1 7 3 21 1 8 4 15 2 9 4 34 1 10 5 3 1 11 5 2 1 12 5 22 1 13 5 23 1 14 6 16 2 15 7 6 1 16 7 8 1 17 7 24 1 18 7 25 1 19 8 13 ar 20 9 10 ar 21 9 8 ar 22 9 26 1 23 10 11 ar 24 11 18 1 25 11 12 ar 26 12 27 1 27 13 12 ar 28 13 28 1 29 14 17 1 30 14 29 1 31 14 30 1 32 14 31 1 33 17 10 1 34 18 32 1 35 34 35 1