@MOLECULE 2-deoxy-2-{[(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)acetyl]amino}-d-glucopyranose 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4557 -1.0720 -0.1192 O.3 1 UNL111111111 -0.4848 2 O -0.6950 1.9071 -0.4392 O.3 1 UNL111111111 -0.5919 3 O -3.4312 2.5144 -0.0270 O.3 1 UNL111111111 -0.5482 4 O -1.9944 -2.6907 0.4381 O.3 1 UNL111111111 -0.5426 5 O -6.2382 -0.5344 -0.1604 O.3 1 UNL111111111 -0.5362 6 O 1.4037 0.2524 -0.7266 O.2 1 UNL111111111 -0.5535 7 O 4.2239 -2.0018 -1.1272 O.2 1 UNL111111111 -0.4078 8 O 3.6283 1.7025 1.4840 O.2 1 UNL111111111 -0.4045 9 N 0.0929 -0.7807 0.8030 N.am 1 UNL111111111 -0.5853 10 N 3.7495 -0.3762 0.4587 N.am 1 UNL111111111 -0.5656 11 C -1.1371 -0.4567 0.0743 C.3 1 UNL111111111 -0.0732 12 C -1.5486 1.0262 0.2421 C.3 1 UNL111111111 0.0827 13 C -2.9292 1.2581 -0.4221 C.3 1 UNL111111111 0.0643 14 C -3.9680 0.2409 0.0824 C.3 1 UNL111111111 0.0509 15 C -2.2907 -1.3477 0.6297 C.3 1 UNL111111111 0.3417 16 C -5.2468 0.2639 -0.7648 C.3 1 UNL111111111 -0.0127 17 C 1.3134 -0.4425 0.2706 C.2 1 UNL111111111 0.5654 18 C 2.5481 -0.9591 1.0147 C.3 1 UNL111111111 -0.1278 19 C 4.3946 -0.8954 -0.7086 C.2 1 UNL111111111 0.5778 20 C 4.0858 1.0039 0.6290 C.2 1 UNL111111111 0.5753 21 C 5.3098 0.2069 -1.1827 C.2 1 UNL111111111 -0.1834 22 C 5.1315 1.2939 -0.4191 C.2 1 UNL111111111 -0.1788 23 H -0.9893 -0.6679 -1.0213 H 1 UNL111111111 0.1820 24 H -1.5418 1.3468 1.3087 H 1 UNL111111111 0.1497 25 H -2.8313 1.2494 -1.5309 H 1 UNL111111111 0.1491 26 H -4.2028 0.3888 1.1606 H 1 UNL111111111 0.1540 27 H -2.4723 -1.2467 1.7202 H 1 UNL111111111 0.1416 28 H 0.0073 -1.4083 1.5908 H 1 UNL111111111 0.3241 29 H -5.0689 -0.0927 -1.7952 H 1 UNL111111111 0.1306 30 H -5.6930 1.2794 -0.7813 H 1 UNL111111111 0.1670 31 H 0.1633 1.4752 -0.6649 H 1 UNL111111111 0.3696 32 H -2.7404 3.2027 -0.1837 H 1 UNL111111111 0.3448 33 H -2.1578 -2.9735 -0.4919 H 1 UNL111111111 0.3461 34 H 2.6042 -2.0753 0.9338 H 1 UNL111111111 0.1908 35 H 2.4845 -0.6993 2.1018 H 1 UNL111111111 0.1850 36 H -5.8962 -1.4455 -0.0307 H 1 UNL111111111 0.3220 37 H 5.9662 0.0424 -2.0195 H 1 UNL111111111 0.1904 38 H 5.6003 2.2617 -0.4637 H 1 UNL111111111 0.1916 @BOND 1 1 14 1 2 1 15 1 3 2 12 1 4 2 31 1 5 3 13 1 6 3 32 1 7 4 15 1 8 4 33 1 9 5 16 1 10 5 36 1 11 6 17 2 12 7 19 2 13 8 20 2 14 9 11 1 15 9 17 am 16 9 28 1 17 10 18 1 18 10 19 am 19 10 20 am 20 11 12 1 21 11 15 1 22 11 23 1 23 12 13 1 24 12 24 1 25 13 14 1 26 13 25 1 27 14 16 1 28 14 26 1 29 15 27 1 30 16 29 1 31 16 30 1 32 17 18 1 33 18 34 1 34 18 35 1 35 19 21 1 36 20 22 1 37 21 22 2 38 21 37 1 39 22 38 1