@MOLECULE (6r)-5-acetamido-3,5-dideoxy-6-[(1r)-1,3-dihydroxypropyl]-alpha-l-threo-hex-2-ulopyranosonic acid 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0665 0.0703 0.2810 O.3 1 UNL1111111111 -0.3401 2 O 1.7307 -2.9243 -0.3606 O.3 1 UNL1111111111 -0.5461 3 O -1.7978 -1.0227 -1.5566 O.3 1 UNL1111111111 -0.5833 4 O 0.8139 1.6561 1.6977 O.3 1 UNL1111111111 -0.5437 5 O -3.4033 -2.5369 0.1049 O.3 1 UNL1111111111 -0.5932 6 O -3.4833 -0.6505 1.3039 O.2 1 UNL1111111111 -0.4171 7 O -2.3044 4.1375 -0.8297 O.3 1 UNL1111111111 -0.5458 8 O 3.5324 0.0331 1.3024 O.2 1 UNL1111111111 -0.5534 9 N 2.4961 -0.1536 -0.6911 N.am 1 UNL1111111111 -0.6115 10 C 1.2459 -0.5581 -0.0534 C.3 1 UNL1111111111 -0.0423 11 C 0.1459 0.4976 -0.3324 C.3 1 UNL1111111111 0.0252 12 C 0.7707 -1.9309 -0.5946 C.3 1 UNL1111111111 0.1398 13 C -0.5570 -2.2941 0.0839 C.3 1 UNL1111111111 -0.4161 14 C -1.5448 -1.1574 -0.1791 C.3 1 UNL1111111111 0.4245 15 C 0.4557 1.8561 0.3521 C.3 1 UNL1111111111 0.1497 16 C -0.7800 2.7562 0.4258 C.3 1 UNL1111111111 -0.3532 17 C -2.8950 -1.3461 0.5341 C.2 1 UNL1111111111 0.5695 18 C -1.1964 3.2681 -0.9510 C.3 1 UNL1111111111 0.0027 19 C 3.6271 0.0378 0.0906 C.2 1 UNL1111111111 0.6176 20 C 4.9085 0.2767 -0.6478 C.3 1 UNL1111111111 -0.5282 21 H 1.3918 -0.6428 1.0645 H 1 UNL1111111111 0.1941 22 H -0.0277 0.6324 -1.4212 H 1 UNL1111111111 0.1471 23 H 0.6783 -1.9411 -1.7056 H 1 UNL1111111111 0.1554 24 H -0.9365 -3.2607 -0.3048 H 1 UNL1111111111 0.1868 25 H -0.4170 -2.4484 1.1721 H 1 UNL1111111111 0.1792 26 H 1.2996 2.3485 -0.1827 H 1 UNL1111111111 0.1193 27 H 2.5631 -0.2795 -1.6881 H 1 UNL1111111111 0.3134 28 H -1.6146 2.2105 0.9173 H 1 UNL1111111111 0.1814 29 H -0.5692 3.6096 1.1044 H 1 UNL1111111111 0.1756 30 H 2.0505 -2.9127 0.5660 H 1 UNL1111111111 0.3254 31 H -2.2811 -1.8007 -1.9115 H 1 UNL1111111111 0.3520 32 H -0.4284 3.9135 -1.4159 H 1 UNL1111111111 0.1340 33 H -1.4632 2.4480 -1.6423 H 1 UNL1111111111 0.1179 34 H 1.6931 1.2144 1.7649 H 1 UNL1111111111 0.3331 35 H 5.7000 0.5881 0.0566 H 1 UNL1111111111 0.1939 36 H 5.2651 -0.6382 -1.1432 H 1 UNL1111111111 0.1803 37 H 4.8219 1.0647 -1.4072 H 1 UNL1111111111 0.1756 38 H -4.2869 -2.7605 0.4854 H 1 UNL1111111111 0.3653 39 H -3.0487 3.6754 -0.3938 H 1 UNL1111111111 0.3151 @BOND 1 1 11 1 2 1 14 1 3 2 12 1 4 2 30 1 5 3 14 1 6 3 31 1 7 4 15 1 8 4 34 1 9 5 17 1 10 5 38 1 11 6 17 2 12 7 18 1 13 7 39 1 14 8 19 2 15 9 10 1 16 9 19 am 17 9 27 1 18 10 11 1 19 10 12 1 20 10 21 1 21 11 15 1 22 11 22 1 23 12 13 1 24 12 23 1 25 13 14 1 26 13 24 1 27 13 25 1 28 14 17 1 29 15 16 1 30 15 26 1 31 16 18 1 32 16 28 1 33 16 29 1 34 18 32 1 35 18 33 1 36 19 20 1 37 20 35 1 38 20 36 1 39 20 37 1