@MOLECULE (6r)-5-acetamido-3,5-dideoxy-3-fluoro-6-[(1r)-1,2,3-trihydroxypropyl]-alpha-l-tagatopyranosonic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.5315 1.1325 0.3155 F 1 UNL111111111111 -0.1585 2 O -0.5712 -0.8051 -0.1638 O.3 1 UNL111111111111 -0.4086 3 O -1.5786 3.1885 -0.0651 O.3 1 UNL111111111111 -0.5253 4 O -2.0669 -0.6241 1.5875 O.3 1 UNL111111111111 -0.5394 5 O 2.0007 -0.3035 -1.3145 O.3 1 UNL111111111111 -0.5786 6 O 1.8193 -2.2658 1.6181 O.3 1 UNL111111111111 -0.5812 7 O -3.2364 -1.2257 -1.6169 O.3 1 UNL111111111111 -0.5396 8 O 3.1143 -4.0322 -0.1090 O.3 1 UNL111111111111 -0.5542 9 O -2.8513 -2.7852 -0.0522 O.2 1 UNL111111111111 -0.4622 10 O 2.4452 2.3480 -1.2366 O.2 1 UNL111111111111 -0.5752 11 N 1.0924 2.4111 0.5733 N.am 1 UNL111111111111 -0.5955 12 C 0.1358 1.4776 -0.0183 C.3 1 UNL111111111111 -0.0311 13 C 0.3867 0.0306 0.4806 C.3 1 UNL111111111111 0.0464 14 C -1.3040 1.8943 0.3864 C.3 1 UNL111111111111 0.0818 15 C -2.3114 0.8854 -0.2024 C.3 1 UNL111111111111 -0.0122 16 C -1.8957 -0.5455 0.2122 C.3 1 UNL111111111111 0.3673 17 C 1.7555 -0.5345 0.0460 C.3 1 UNL111111111111 0.1131 18 C 1.7874 -2.0688 0.2150 C.3 1 UNL111111111111 0.0930 19 C -2.6948 -1.6720 -0.4651 C.2 1 UNL111111111111 0.5866 20 C 3.0429 -2.6591 -0.4404 C.3 1 UNL111111111111 -0.0522 21 C 2.1784 2.8523 -0.1574 C.2 1 UNL111111111111 0.6261 22 C 2.9980 3.9439 0.4594 C.3 1 UNL111111111111 -0.5282 23 H 0.2323 1.4904 -1.1420 H 1 UNL111111111111 0.1885 24 H 0.2748 -0.0579 1.5854 H 1 UNL111111111111 0.1596 25 H -1.4204 1.9934 1.4943 H 1 UNL111111111111 0.1774 26 H -2.3650 0.9634 -1.3242 H 1 UNL111111111111 0.1745 27 H 2.5578 -0.0575 0.6581 H 1 UNL111111111111 0.1362 28 H 0.8617 -2.5562 -0.1632 H 1 UNL111111111111 0.1516 29 H 0.8164 2.8654 1.4316 H 1 UNL111111111111 0.3208 30 H -1.5646 3.2490 -1.0438 H 1 UNL111111111111 0.3195 31 H 3.9760 -2.2483 -0.0131 H 1 UNL111111111111 0.1526 32 H 3.0460 -2.5147 -1.5356 H 1 UNL111111111111 0.1495 33 H -1.7655 -1.5011 1.9406 H 1 UNL111111111111 0.3567 34 H 2.1932 0.6580 -1.4658 H 1 UNL111111111111 0.3628 35 H 2.2935 -3.1030 1.8232 H 1 UNL111111111111 0.3434 36 H 3.8857 4.1512 -0.1647 H 1 UNL111111111111 0.1945 37 H 2.4349 4.8856 0.5352 H 1 UNL111111111111 0.1818 38 H 3.3625 3.6829 1.4623 H 1 UNL111111111111 0.1793 39 H -3.7781 -1.9051 -2.0961 H 1 UNL111111111111 0.3623 40 H 2.4180 -4.5383 -0.5730 H 1 UNL111111111111 0.3166 @BOND 1 1 15 1 2 2 13 1 3 2 16 1 4 3 14 1 5 3 30 1 6 4 16 1 7 4 33 1 8 5 17 1 9 5 34 1 10 6 18 1 11 6 35 1 12 7 19 1 13 7 39 1 14 8 20 1 15 8 40 1 16 9 19 2 17 10 21 2 18 11 12 1 19 11 21 am 20 11 29 1 21 12 13 1 22 12 14 1 23 12 23 1 24 13 17 1 25 13 24 1 26 14 15 1 27 14 25 1 28 15 16 1 29 15 26 1 30 16 19 1 31 17 18 1 32 17 27 1 33 18 20 1 34 18 28 1 35 20 31 1 36 20 32 1 37 21 22 1 38 22 36 1 39 22 37 1 40 22 38 1