@MOLECULE (1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside 51 52 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7919 -0.7337 0.5791 O.3 1 UNL11111111 -0.4803 2 O 0.3285 -1.3705 -1.3470 O.3 1 UNL11111111 -0.4564 3 O -0.8334 2.0639 0.1800 O.3 1 UNL11111111 -0.5297 4 O -3.1893 -2.0523 -0.4285 O.3 1 UNL11111111 -0.5510 5 O -3.2033 1.9765 -1.2735 O.3 1 UNL11111111 -0.5182 6 O -5.4620 -0.8529 0.8584 O.3 1 UNL11111111 -0.5719 7 O -5.5913 1.9220 0.1596 O.3 1 UNL11111111 -0.5644 8 O 5.8434 1.7087 1.5209 O.3 1 UNL11111111 -0.5729 9 O 5.3683 2.4965 -0.5213 O.2 1 UNL11111111 -0.4117 10 N 1.3113 -3.6503 0.2486 N.3 1 UNL11111111 -0.6456 11 N 3.3326 0.3350 -0.1740 N.2 1 UNL11111111 -0.4757 12 N 5.3821 -0.8121 0.4337 N.pl3 1 UNL11111111 -0.6465 13 C -1.9205 -0.1239 -0.0228 C.3 1 UNL11111111 0.0530 14 C -1.9273 1.2887 0.5982 C.3 1 UNL11111111 0.0969 15 C -3.1775 -0.9098 0.4034 C.3 1 UNL11111111 0.0816 16 C -3.1884 2.0455 0.1355 C.3 1 UNL11111111 0.0621 17 C -4.4803 -0.1226 0.1483 C.3 1 UNL11111111 0.0785 18 C -4.4271 1.3162 0.6953 C.3 1 UNL11111111 0.0172 19 C -0.2343 -1.8084 -0.1479 C.3 1 UNL11111111 0.3166 20 C 0.8441 -2.3729 0.8135 C.3 1 UNL11111111 -0.0079 21 C 1.9451 -1.3144 1.0005 C.3 1 UNL11111111 -0.3624 22 C 2.4867 -0.8308 -0.3600 C.3 1 UNL11111111 0.0002 23 C 1.3055 -0.3449 -1.2546 C.3 1 UNL11111111 0.1619 24 C 1.7309 -0.1123 -2.6976 C.3 1 UNL11111111 -0.4678 25 C 4.5614 0.2931 0.1922 C.2 1 UNL11111111 0.3154 26 C 5.2669 1.6281 0.2913 C.2 1 UNL11111111 0.6229 27 H -1.8120 -0.0915 -1.1328 H 1 UNL11111111 0.1865 28 H -1.8741 1.2356 1.7115 H 1 UNL11111111 0.1351 29 H -3.1076 -1.2465 1.4628 H 1 UNL11111111 0.1492 30 H -3.1461 3.1161 0.4274 H 1 UNL11111111 0.1435 31 H -4.7443 -0.1273 -0.9357 H 1 UNL11111111 0.1600 32 H -4.4757 1.3361 1.8029 H 1 UNL11111111 0.1398 33 H -1.0027 -2.5454 -0.4769 H 1 UNL11111111 0.1803 34 H 0.3690 -2.5985 1.8054 H 1 UNL11111111 0.1647 35 H 2.7579 -1.7034 1.6337 H 1 UNL11111111 0.1361 36 H 1.5228 -0.4498 1.5580 H 1 UNL11111111 0.1794 37 H 3.0132 -1.6662 -0.8851 H 1 UNL11111111 0.1347 38 H 0.8353 0.5654 -0.8123 H 1 UNL11111111 0.1288 39 H -0.0324 1.4905 0.0590 H 1 UNL11111111 0.3331 40 H -3.9899 -2.5907 -0.2402 H 1 UNL11111111 0.3324 41 H -4.1021 2.2074 -1.6037 H 1 UNL11111111 0.3226 42 H -6.3354 -0.4141 0.7638 H 1 UNL11111111 0.3364 43 H -5.7564 2.7919 0.5741 H 1 UNL11111111 0.3246 44 H 2.1128 -1.0269 -3.1641 H 1 UNL11111111 0.1539 45 H 0.8815 0.2303 -3.3039 H 1 UNL11111111 0.1649 46 H 2.5150 0.6571 -2.7486 H 1 UNL11111111 0.1749 47 H 2.1320 -3.9939 0.7155 H 1 UNL11111111 0.2495 48 H 1.4933 -3.5783 -0.7423 H 1 UNL11111111 0.2612 49 H 6.1987 -0.6819 1.0043 H 1 UNL11111111 0.3101 50 H 4.9422 -1.7053 0.5334 H 1 UNL11111111 0.2909 51 H 6.2988 2.5708 1.6931 H 1 UNL11111111 0.3635 @BOND 1 45 24 1 2 44 24 1 3 46 24 1 4 24 23 1 5 41 5 1 6 2 23 1 7 2 19 1 8 5 16 1 9 23 38 1 10 23 22 1 11 27 13 1 12 31 17 1 13 37 22 1 14 48 10 1 15 9 26 2 16 33 19 1 17 4 40 1 18 4 15 1 19 22 11 1 20 22 21 1 21 11 25 2 22 19 1 1 23 19 20 1 24 13 15 1 25 13 1 1 26 13 14 1 27 39 3 1 28 16 30 1 29 16 14 1 30 16 18 1 31 17 15 1 32 17 18 1 33 17 6 1 34 7 43 1 35 7 18 1 36 3 14 1 37 25 26 1 38 25 12 1 39 10 47 1 40 10 20 1 41 26 8 1 42 15 29 1 43 12 50 1 44 12 49 1 45 14 28 1 46 18 32 1 47 42 6 1 48 20 21 1 49 20 34 1 50 21 36 1 51 21 35 1 52 8 51 1