@MOLECULE 2-amino-4-[(2e)-2-buten-1-yl]-2,4,5-trideoxy-l-xylonic acid 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5944 -0.0834 1.5171 O.3 1 UNL1111111111 -0.5798 2 O 2.1527 1.9112 -0.6827 O.3 1 UNL1111111111 -0.5688 3 OXT 3.7623 0.7747 0.3668 O.2 1 UNL1111111111 -0.5049 4 N 2.3393 -1.6599 0.1082 N.3 1 UNL1111111111 -0.6148 5 C -0.6410 -1.2315 -0.2491 C.3 1 UNL1111111111 -0.1294 6 C 0.3723 -0.1293 0.1185 C.3 1 UNL1111111111 0.1397 7 CA 1.7865 -0.4200 -0.4551 C.3 1 UNL1111111111 -0.0389 8 C -1.9123 -1.1405 0.6187 C.3 1 UNL1111111111 -0.2936 9 C -1.0033 -1.1293 -1.7323 C.3 1 UNL1111111111 -0.4487 10 C -2.6193 0.1679 0.4718 C.2 1 UNL1111111111 -0.1838 11 C 2.6888 0.7737 -0.1718 C.2 1 UNL1111111111 0.5994 12 C -3.8846 0.2634 0.0527 C.2 1 UNL1111111111 -0.1323 13 C -4.5950 1.5640 -0.0896 C.3 1 UNL1111111111 -0.4486 14 H -0.1638 -2.2283 -0.0582 H 1 UNL1111111111 0.1686 15 H 0.0197 0.8752 -0.2126 H 1 UNL1111111111 0.1403 16 HA 1.7135 -0.5489 -1.5721 H 1 UNL1111111111 0.1809 17 H -1.6565 -1.3167 1.6855 H 1 UNL1111111111 0.1470 18 H -2.5806 -1.9867 0.3537 H 1 UNL1111111111 0.1491 19 H -1.4206 -0.1461 -1.9809 H 1 UNL1111111111 0.1506 20 H -1.7585 -1.8757 -2.0052 H 1 UNL1111111111 0.1474 21 H -0.1345 -1.3040 -2.3768 H 1 UNL1111111111 0.1471 22 H -2.0353 1.0481 0.7312 H 1 UNL1111111111 0.1430 23 H -0.2346 0.0962 2.0022 H 1 UNL1111111111 0.3307 24 H1 2.1167 -1.7379 1.0944 H 1 UNL1111111111 0.2729 25 H2 3.3451 -1.7017 0.0038 H 1 UNL1111111111 0.2647 26 H -4.4761 -0.6119 -0.2113 H 1 UNL1111111111 0.1411 27 H 2.6979 2.7188 -0.5150 H 1 UNL1111111111 0.3582 28 H -5.4769 1.6073 0.5670 H 1 UNL1111111111 0.1563 29 H -3.9646 2.4281 0.1592 H 1 UNL1111111111 0.1521 30 H -4.9523 1.7103 -1.1197 H 1 UNL1111111111 0.1545 @BOND 1 1 6 1 2 1 23 1 3 2 11 1 4 2 27 1 5 3 11 2 6 4 7 1 7 4 24 1 8 4 25 1 9 5 6 1 10 5 8 1 11 5 9 1 12 5 14 1 13 6 7 1 14 6 15 1 15 7 11 1 16 7 16 1 17 8 10 1 18 8 17 1 19 8 18 1 20 9 19 1 21 9 20 1 22 9 21 1 23 10 12 2 24 10 22 1 25 12 13 1 26 12 26 1 27 13 28 1 28 13 29 1 29 13 30 1