@MOLECULE 3,4-o-[(1s)-1-carboxyethylidene]-beta-d-galactopyranose 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0273 0.5261 1.3245 O.3 1 UNL1111111111 -0.2370 2 O 0.9173 -1.5969 0.4578 O.3 1 UNL1111111111 -0.1656 3 O -1.1476 0.6281 -0.7098 O.3 1 UNL1111111111 -0.2972 4 O -2.6024 -1.8670 0.8190 O.3 1 UNL1111111111 -0.3782 5 O -1.1335 -1.0117 -2.2341 O.3 1 UNL1111111111 -0.3890 6 O -1.7701 3.2677 0.0565 O.3 1 UNL1111111111 -0.4084 7 O 2.7024 1.1993 -0.8574 O.3 1 UNL1111111111 -0.4267 8 O 1.4377 -0.2723 -1.9373 O.2 1 UNL1111111111 -0.3806 9 C -0.3276 0.1156 1.5035 C.3 1 UNL1111111111 -0.0668 10 C -0.3528 -1.3591 1.0639 C.3 1 UNL1111111111 -0.2778 11 C -1.2448 0.9971 0.6499 C.3 1 UNL1111111111 0.0434 12 C -1.4324 -1.7177 0.0352 C.3 1 UNL1111111111 -0.0798 13 C 1.7022 -0.4264 0.5345 C.3 1 UNL1111111111 0.5387 14 C -1.7154 -0.6318 -1.0362 C.3 1 UNL1111111111 -0.0354 15 C -0.7779 2.4635 0.6514 C.3 1 UNL1111111111 -0.3938 16 C 3.0391 -0.7538 1.1633 C.3 1 UNL1111111111 -1.1190 17 C 1.8698 0.1370 -0.8921 C.2 1 UNL1111111111 0.2953 18 H -0.5118 0.2568 2.5896 H 1 UNL1111111111 0.2086 19 H -0.4012 -2.0592 1.9301 H 1 UNL1111111111 0.2405 20 H -2.3056 0.9073 0.9828 H 1 UNL1111111111 0.1597 21 H -1.1709 -2.6785 -0.4692 H 1 UNL1111111111 0.1876 22 H -2.7958 -0.4903 -1.2506 H 1 UNL1111111111 0.1951 23 H 0.1772 2.5867 0.1067 H 1 UNL1111111111 0.1943 24 H -0.6807 2.8676 1.6747 H 1 UNL1111111111 0.2718 25 H 2.9093 -1.1188 2.1924 H 1 UNL1111111111 0.3121 26 H 3.6841 0.1383 1.2087 H 1 UNL1111111111 0.3605 27 H 3.5693 -1.5351 0.6017 H 1 UNL1111111111 0.3453 28 H -3.2406 -2.4656 0.3809 H 1 UNL1111111111 0.3085 29 H -0.1554 -0.8416 -2.2195 H 1 UNL1111111111 0.3420 30 H -1.9471 2.9483 -0.8569 H 1 UNL1111111111 0.3148 31 H 2.8398 1.6274 -1.7431 H 1 UNL1111111111 0.3369 @BOND 1 1 9 1 2 1 13 1 3 2 10 1 4 2 13 1 5 3 11 1 6 3 14 1 7 4 12 1 8 4 28 1 9 5 14 1 10 5 29 1 11 6 15 1 12 6 30 1 13 7 17 1 14 7 31 1 15 8 17 2 16 9 10 1 17 9 11 1 18 9 18 1 19 10 12 1 20 10 19 1 21 11 15 1 22 11 20 1 23 12 14 1 24 12 21 1 25 13 16 1 26 13 17 1 27 14 22 1 28 15 23 1 29 15 24 1 30 16 25 1 31 16 26 1 32 16 27 1