@MOLECULE (2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxo-3-piperidinyl beta-d-glucopyranoside 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.1082 0.3498 0.0080 C.2 1 UNL1111111111 0.5283 2 O -5.3031 0.5789 0.0182 O.2 1 UNL1111111111 -0.5275 3 C -3.1179 1.4533 -0.3400 C.3 1 UNL1111111111 0.0033 4 O -3.6102 2.2020 -1.4263 O.3 1 UNL1111111111 -0.5401 5 C -1.7385 0.9550 -0.8075 C.3 1 UNL1111111111 0.1038 6 O -0.8227 2.0150 -0.6305 O.3 1 UNL1111111111 -0.5439 7 C -1.2349 -0.1792 0.1022 C.3 1 UNL1111111111 0.0600 8 O -0.1331 -0.7862 -0.5620 O.3 1 UNL1111111111 -0.4151 9 CA -2.2627 -1.3371 0.1852 C.3 1 UNL1111111111 0.0282 10 N -3.6366 -0.8787 0.3931 N.am 1 UNL1111111111 -0.5885 11 C -1.8844 -2.2806 1.3502 C.3 1 UNL1111111111 -0.0285 12 O -2.6706 -3.4356 1.1121 O.3 1 UNL1111111111 -0.5529 13 C 1.1016 -0.6554 0.0969 C.3 1 UNL1111111111 0.2642 14 C 2.1219 -1.3239 -0.8479 C.3 1 UNL1111111111 0.0319 15 O 1.9780 -2.7266 -0.7744 O.3 1 UNL1111111111 -0.5595 16 C 3.5444 -1.0456 -0.3330 C.3 1 UNL1111111111 0.0669 17 O 4.4816 -1.3330 -1.3506 O.3 1 UNL1111111111 -0.5600 18 C 3.7608 0.4545 -0.0388 C.3 1 UNL1111111111 0.0705 19 O 4.8964 0.6023 0.7860 O.3 1 UNL1111111111 -0.5483 20 C 2.6016 1.0389 0.7938 C.3 1 UNL1111111111 0.0318 21 O 1.3711 0.7292 0.1621 O.3 1 UNL1111111111 -0.4189 22 C 2.6121 2.5800 0.7822 C.3 1 UNL1111111111 -0.0046 23 O 1.4577 3.0657 1.4259 O.3 1 UNL1111111111 -0.5460 24 H -3.0144 2.1446 0.5355 H 1 UNL1111111111 0.1685 25 H -4.5945 2.2951 -1.3628 H 1 UNL1111111111 0.3498 26 H -1.7431 0.6552 -1.8804 H 1 UNL1111111111 0.1618 27 H -1.0984 2.7798 -1.1871 H 1 UNL1111111111 0.3344 28 H -0.9507 0.2229 1.0984 H 1 UNL1111111111 0.1598 29 HA -2.2176 -1.9281 -0.7780 H 1 UNL1111111111 0.1754 30 H -4.3008 -1.6140 0.6353 H 1 UNL1111111111 0.3396 31 H1 -0.8159 -2.5578 1.3118 H 1 UNL1111111111 0.1289 32 H2 -2.1368 -1.8527 2.3358 H 1 UNL1111111111 0.1313 33 H -2.5814 -4.0742 1.8459 H 1 UNL1111111111 0.3227 34 H 1.0592 -1.0992 1.1117 H 1 UNL1111111111 0.1175 35 H 1.9861 -0.9919 -1.9012 H 1 UNL1111111111 0.1651 36 H 1.0725 -2.9868 -1.0541 H 1 UNL1111111111 0.3359 37 H 3.7855 -1.6784 0.5522 H 1 UNL1111111111 0.1528 38 H 4.3651 -2.2589 -1.6597 H 1 UNL1111111111 0.3378 39 H 3.9246 1.0159 -0.9865 H 1 UNL1111111111 0.1525 40 H 5.6830 0.2196 0.3348 H 1 UNL1111111111 0.3366 41 H 2.6075 0.6470 1.8337 H 1 UNL1111111111 0.1484 42 H 3.4527 2.9766 1.3827 H 1 UNL1111111111 0.1570 43 H 2.6513 2.9829 -0.2456 H 1 UNL1111111111 0.1279 44 H 0.6559 2.7280 0.9557 H 1 UNL1111111111 0.3411 @BOND 1 1 2 2 2 1 3 1 3 1 10 am 4 3 4 1 5 3 5 1 6 3 24 1 7 4 25 1 8 5 6 1 9 5 7 1 10 5 26 1 11 6 27 1 12 7 8 1 13 7 9 1 14 7 28 1 15 8 13 1 16 9 10 1 17 9 11 1 18 9 29 1 19 10 30 1 20 11 12 1 21 11 31 1 22 11 32 1 23 12 33 1 24 13 14 1 25 13 21 1 26 13 34 1 27 14 15 1 28 14 16 1 29 14 35 1 30 15 36 1 31 16 17 1 32 16 18 1 33 16 37 1 34 17 38 1 35 18 19 1 36 18 20 1 37 18 39 1 38 19 40 1 39 20 21 1 40 20 22 1 41 20 41 1 42 22 23 1 43 22 42 1 44 22 43 1 45 23 44 1