@MOLECULE 2-o-sulfo-l-idopyranuronic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.0785 0.8026 0.8183 C.3 1 UNL111111111 0.3127 2 C 0.5039 -0.2272 -0.1785 C.3 1 UNL111111111 0.0642 3 C -0.3636 -1.4974 -0.2710 C.3 1 UNL111111111 0.1088 4 C -1.7909 -1.0316 -0.6658 C.3 1 UNL111111111 0.0884 5 C -2.2810 -0.0021 0.3717 C.3 1 UNL111111111 -0.0152 6 C -3.6084 0.5819 -0.0756 C.2 1 UNL111111111 0.6065 7 O 1.7824 -0.6436 0.2340 O.3 1 UNL111111111 -0.6808 8 O -0.5598 -2.1900 0.9247 O.3 1 UNL111111111 -0.5373 9 O -1.4055 1.1131 0.4460 O.3 1 UNL111111111 -0.4360 10 O -4.5915 -0.2545 0.3187 O.3 1 UNL111111111 -0.5523 11 O -3.8078 1.5831 -0.6920 O.2 1 UNL111111111 -0.4642 12 S 3.1310 0.1534 -0.2943 S.O2 1 UNL111111111 2.5371 13 O 2.8615 0.7295 -1.5794 O.2 1 UNL111111111 -0.9092 14 O 3.1308 1.4349 0.7379 O.3 1 UNL111111111 -0.8226 15 O 4.2527 -0.6814 -0.0344 O.2 1 UNL111111111 -0.8148 16 O -0.0490 0.2314 2.0901 O.3 1 UNL111111111 -0.5317 17 H 0.4008 1.8048 0.8059 H 1 UNL111111111 0.1412 18 H 0.5438 0.2479 -1.2000 H 1 UNL111111111 0.1793 19 H 0.0639 -2.1912 -1.0241 H 1 UNL111111111 0.1469 20 O -1.6665 -0.5136 -1.9653 O.3 1 UNL111111111 -0.5592 21 H -2.4889 -1.9014 -0.7336 H 1 UNL111111111 0.1664 22 H -2.3502 -0.4758 1.3811 H 1 UNL111111111 0.2001 23 H 0.3302 -2.4417 1.3204 H 1 UNL111111111 0.3478 24 H -5.5053 0.0576 0.0967 H 1 UNL111111111 0.3611 25 H 3.4267 2.2829 0.3684 H 1 UNL111111111 0.3928 26 H -0.3406 0.8728 2.7752 H 1 UNL111111111 0.3253 27 H -2.0483 0.3910 -2.0444 H 1 UNL111111111 0.3449 @BOND 1 1 9 1 2 1 16 1 3 1 17 1 4 2 1 1 5 2 7 1 6 2 18 1 7 3 2 1 8 3 4 1 9 3 19 1 10 4 5 1 11 4 20 1 12 4 21 1 13 5 6 1 14 5 9 1 15 5 22 1 16 6 10 1 17 7 12 1 18 8 3 1 19 8 23 1 20 10 24 1 21 11 6 2 22 12 13 2 23 12 14 1 24 14 25 1 25 15 12 2 26 16 26 1 27 20 27 1