@MOLECULE 1-o-(3-methylbutanoyl)-beta-d-glucopyranuronic acid 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1316 -0.3744 0.2128 O.3 1 UNL1111111111 -0.4144 2 O 1.2923 1.2989 -0.0140 O.3 1 UNL1111111111 -0.4316 3 O -3.1008 2.0039 -1.1482 O.3 1 UNL1111111111 -0.5600 4 O -0.9130 3.1274 0.4528 O.3 1 UNL1111111111 -0.5399 5 O -3.7633 -0.5454 0.0398 O.3 1 UNL1111111111 -0.5645 6 O -2.5314 -2.9224 0.4567 O.3 1 UNL1111111111 -0.6152 7 O -0.4146 -3.0102 -0.2442 O.2 1 UNL1111111111 -0.4213 8 O 2.3350 0.4446 1.7890 O.2 1 UNL1111111111 -0.4884 9 C -2.4027 1.3406 -0.1148 C.3 1 UNL1111111111 0.0732 10 C -0.9664 1.8884 -0.2212 C.3 1 UNL1111111111 0.0591 11 C -2.4623 -0.1791 -0.3532 C.3 1 UNL1111111111 0.0624 12 C 0.0384 1.0067 0.5506 C.3 1 UNL1111111111 0.3079 13 C -1.4052 -0.8803 0.5289 C.3 1 UNL1111111111 -0.0100 14 C -1.3132 -2.3550 0.1878 C.2 1 UNL1111111111 0.6150 15 C 3.5991 0.9974 -0.2228 C.3 1 UNL1111111111 -0.3690 16 C 3.9214 -0.3465 -0.9172 C.3 1 UNL1111111111 -0.0352 17 C 2.4036 0.8471 0.6615 C.2 1 UNL1111111111 0.6374 18 C 4.3285 -1.4042 0.1111 C.3 1 UNL1111111111 -0.4641 19 C 2.7269 -0.8298 -1.7416 C.3 1 UNL1111111111 -0.4664 20 H -2.8750 1.6143 0.8582 H 1 UNL1111111111 0.1568 21 H -0.6594 2.0267 -1.2839 H 1 UNL1111111111 0.1668 22 H -2.3335 -0.4246 -1.4316 H 1 UNL1111111111 0.1553 23 H 0.0298 1.1399 1.6521 H 1 UNL1111111111 0.1589 24 H -1.6254 -0.7508 1.6177 H 1 UNL1111111111 0.1760 25 H -4.0185 1.6538 -1.2077 H 1 UNL1111111111 0.3399 26 H -1.5038 3.7723 0.0016 H 1 UNL1111111111 0.3354 27 H -3.8186 -1.5191 0.1792 H 1 UNL1111111111 0.3508 28 H 3.4297 1.7834 -0.9891 H 1 UNL1111111111 0.1772 29 H 4.4666 1.3302 0.3850 H 1 UNL1111111111 0.1758 30 H 4.7846 -0.1668 -1.6067 H 1 UNL1111111111 0.1345 31 H 3.5199 -1.6048 0.8281 H 1 UNL1111111111 0.1648 32 H 4.5683 -2.3570 -0.3738 H 1 UNL1111111111 0.1493 33 H 5.2036 -1.0934 0.6908 H 1 UNL1111111111 0.1457 34 H 1.8639 -1.0812 -1.1055 H 1 UNL1111111111 0.1727 35 H 2.3877 -0.0694 -2.4524 H 1 UNL1111111111 0.1472 36 H 2.9728 -1.7339 -2.3086 H 1 UNL1111111111 0.1470 37 H -2.5787 -3.8903 0.2698 H 1 UNL1111111111 0.3706 @BOND 1 1 12 1 2 1 13 1 3 2 12 1 4 2 17 1 5 3 9 1 6 3 25 1 7 4 10 1 8 4 26 1 9 5 11 1 10 5 27 1 11 6 14 1 12 6 37 1 13 7 14 2 14 8 17 2 15 9 10 1 16 9 11 1 17 9 20 1 18 10 12 1 19 10 21 1 20 11 13 1 21 11 22 1 22 12 23 1 23 13 14 1 24 13 24 1 25 15 16 1 26 15 17 1 27 15 28 1 28 15 29 1 29 16 18 1 30 16 19 1 31 16 30 1 32 18 31 1 33 18 32 1 34 18 33 1 35 19 34 1 36 19 35 1 37 19 36 1