@MOLECULE (2s,4s)-2-amino-4-methyl-5-hexenoic acid 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6602 1.3824 -0.9400 O.3 1 UNL111111111 -0.5570 2 OXT 2.1973 -0.7793 -1.0412 O.2 1 UNL111111111 -0.5075 3 N 1.6913 -0.3253 1.8663 N.3 1 UNL111111111 -0.6389 4 C -0.3662 -0.9894 0.5428 C.3 1 UNL111111111 -0.3369 5 C -1.4758 -0.4185 -0.3634 C.3 1 UNL111111111 -0.0931 6 CA 0.7632 0.0339 0.7817 C.3 1 UNL111111111 -0.0107 7 C -2.4260 -1.5350 -0.8128 C.3 1 UNL111111111 -0.4490 8 C -2.2436 0.6309 0.3881 C.2 1 UNL111111111 -0.1334 9 C 1.6227 0.1104 -0.4726 C.2 1 UNL111111111 0.6360 10 C -2.0768 1.9351 0.1776 C.2 1 UNL111111111 -0.3305 11 H 0.0454 -1.9148 0.0888 H 1 UNL111111111 0.1651 12 H -0.7980 -1.2977 1.5124 H 1 UNL111111111 0.1510 13 H -1.0021 0.0271 -1.2745 H 1 UNL111111111 0.1489 14 HA 0.3258 1.0506 1.0064 H 1 UNL111111111 0.1875 15 H -2.8775 -2.0591 0.0381 H 1 UNL111111111 0.1456 16 H -3.2437 -1.1323 -1.4221 H 1 UNL111111111 0.1514 17 H -1.9039 -2.2830 -1.4251 H 1 UNL111111111 0.1508 18 H -2.9487 0.2488 1.1262 H 1 UNL111111111 0.1419 19 H1 2.0650 -1.2568 1.7701 H 1 UNL111111111 0.2653 20 H2 1.2745 -0.2115 2.7759 H 1 UNL111111111 0.2620 21 H -2.6158 2.6995 0.7165 H 1 UNL111111111 0.1450 22 H -1.3944 2.3447 -0.5510 H 1 UNL111111111 0.1530 23 H 2.2494 1.5023 -1.7248 H 1 UNL111111111 0.3533 @BOND 1 1 9 1 2 1 23 1 3 2 9 2 4 3 6 1 5 3 19 1 6 3 20 1 7 4 5 1 8 4 6 1 9 4 11 1 10 4 12 1 11 5 7 1 12 5 8 1 13 5 13 1 14 6 9 1 15 6 14 1 16 7 15 1 17 7 16 1 18 7 17 1 19 8 10 2 20 8 18 1 21 10 21 1 22 10 22 1