@MOLECULE (2s)-2-amino-4-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}butanoic acid 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O1 -1.3101 -0.9190 -0.1635 O.3 1 <1> -0.4450 2 O2 0.8525 -0.2806 0.0366 O.3 1 <1> -0.4887 3 O3 -2.5848 2.8604 -0.7058 O.3 1 <1> -0.5617 4 O4 -4.4440 0.7965 0.1414 O.3 1 <1> -0.5440 5 O5 -0.0286 2.3790 0.6208 O.3 1 <1> -0.5564 6 O6 -2.9625 -3.1203 0.2052 O.3 1 <1> -0.5404 7 O7 0.7308 -2.4232 0.7371 O.2 1 <1> -0.4570 8 O8 3.0625 1.8901 0.1690 O.3 1 <1> -0.5766 9 O9 4.2098 0.3733 1.3280 O.2 1 <1> -0.4850 10 N1 4.4860 -0.4924 -1.6329 N.3 1 <1> -0.6349 11 C1 -2.2320 1.7584 0.1044 C.3 1 <1> 0.0676 12 C2 -3.1490 0.6152 -0.3861 C.3 1 <1> 0.0720 13 C3 -0.7479 1.4137 -0.1107 C.3 1 <1> 0.0286 14 C4 -2.6764 -0.7344 0.1901 C.3 1 <1> 0.0397 15 C5 -0.4601 0.0110 0.4721 C.3 1 <1> 0.3020 16 C6 -3.3597 -1.9440 -0.4622 C.3 1 <1> -0.0091 17 C7 1.3443 -1.5434 0.2053 C.2 1 <1> 0.6289 18 C8 2.7365 -1.6005 -0.3423 C.3 1 <1> -0.3703 19 C9 3.2684 -0.2508 -0.8544 C.3 1 <1> 0.0339 20 C10 3.5709 0.6436 0.3495 C.2 1 <1> 0.5763 21 H1 -2.4375 2.0269 1.1663 H 1 <1> 0.1555 22 H2 -3.2085 0.6059 -1.4971 H 1 <1> 0.1501 23 H3 -0.4640 1.4728 -1.1852 H 1 <1> 0.1584 24 H4 -2.7949 -0.7678 1.2975 H 1 <1> 0.1575 25 H5 -0.5112 -0.0740 1.5754 H 1 <1> 0.1434 26 H6 -3.1046 -2.0362 -1.5332 H 1 <1> 0.1292 27 H7 -4.4585 -1.9080 -0.3279 H 1 <1> 0.1630 28 H8 -1.9688 3.6078 -0.5334 H 1 <1> 0.3389 29 H9 -4.7770 1.6898 -0.1043 H 1 <1> 0.3370 30 H10 0.9393 2.2385 0.4851 H 1 <1> 0.3429 31 H11 2.7616 -2.3410 -1.1825 H 1 <1> 0.2134 32 H12 3.4157 -2.0281 0.4336 H 1 <1> 0.2024 33 H13 -1.9805 -3.1322 0.3014 H 1 <1> 0.3353 34 H14 2.5070 0.2430 -1.5241 H 1 <1> 0.1934 35 H15 5.2456 -0.8630 -1.0834 H 1 <1> 0.2690 36 H16 4.7911 0.3164 -2.1489 H 1 <1> 0.2686 37 H17 3.2991 2.5258 0.8924 H 1 <1> 0.3617 @BOND 1 1 14 1 2 1 15 1 3 2 15 1 4 2 17 1 5 3 11 1 6 3 28 1 7 4 12 1 8 4 29 1 9 5 13 1 10 5 30 1 11 6 16 1 12 6 33 1 13 7 17 2 14 8 20 1 15 8 37 1 16 9 20 2 17 10 19 1 18 10 35 1 19 10 36 1 20 11 12 1 21 11 13 1 22 11 21 1 23 12 14 1 24 12 22 1 25 13 15 1 26 13 23 1 27 14 16 1 28 14 24 1 29 15 25 1 30 16 26 1 31 16 27 1 32 17 18 1 33 18 19 1 34 18 31 1 35 18 32 1 36 19 20 1 37 19 34 1