@MOLECULE 3-[carboxy(methyl)amino]-l-alanine 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8265 1.0882 -1.5021 O.3 1 UNL1111111111 -0.5590 2 OXT 2.0346 1.4883 0.3372 O.2 1 UNL1111111111 -0.4901 3 O -1.1112 1.1861 1.1523 O.3 1 UNL1111111111 -0.5657 4 O -2.7818 0.6794 -0.2752 O.2 1 UNL1111111111 -0.5394 5 N -1.1707 -0.8996 0.2553 N.am 1 UNL1111111111 -0.4509 6 N 2.5506 -1.3582 0.4016 N.3 1 UNL1111111111 -0.6262 7 C 0.1577 -1.1049 0.8215 C.3 1 UNL1111111111 -0.0730 8 CA 1.3208 -0.7964 -0.1676 C.3 1 UNL1111111111 -0.0515 9 C -1.5598 -1.7618 -0.8688 C.3 1 UNL1111111111 -0.2323 10 C 1.4436 0.7092 -0.3589 C.2 1 UNL1111111111 0.5847 11 C -1.7637 0.3491 0.2885 C.2 1 UNL1111111111 0.7367 12 H 0.2699 -0.4957 1.7529 H 1 UNL1111111111 0.1800 13 H 0.2435 -2.1748 1.1403 H 1 UNL1111111111 0.1749 14 HA 1.1152 -1.2937 -1.1546 H 1 UNL1111111111 0.1800 15 H -1.3140 -2.8108 -0.6342 H 1 UNL1111111111 0.1515 16 H -1.0689 -1.4755 -1.8149 H 1 UNL1111111111 0.1424 17 H -2.6559 -1.6946 -1.0249 H 1 UNL1111111111 0.1746 18 H1 2.8597 -0.8526 1.2218 H 1 UNL1111111111 0.2714 19 H2 3.3036 -1.3945 -0.2673 H 1 UNL1111111111 0.2623 20 H 0.8420 2.0646 -1.6670 H 1 UNL1111111111 0.3614 21 H -1.6108 2.0329 1.2854 H 1 UNL1111111111 0.3684 @BOND 1 1 10 1 2 1 20 1 3 2 10 2 4 3 11 1 5 3 21 1 6 4 11 2 7 5 7 1 8 5 9 1 9 5 11 am 10 6 8 1 11 6 18 1 12 6 19 1 13 7 8 1 14 7 12 1 15 7 13 1 16 8 10 1 17 8 14 1 18 9 15 1 19 9 16 1 20 9 17 1