@MOLECULE (6r)-3,5-dideoxy-5-(propionylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosonic acid 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.2509 2.0991 0.8719 C.2 1 UNL1111111111 0.5465 2 C -1.6048 1.8400 -0.5123 C.3 1 UNL1111111111 0.4615 3 C -0.3668 2.6582 -0.8345 C.3 1 UNL1111111111 -0.3907 4 C 0.8536 2.1347 -0.0731 C.3 1 UNL1111111111 0.1229 5 C 1.0206 0.6068 -0.2764 C.3 1 UNL1111111111 0.0149 6 C -0.3046 -0.1092 0.0832 C.3 1 UNL1111111111 0.0555 7 C -0.3151 -1.5715 -0.4138 C.3 1 UNL1111111111 0.1073 8 C -1.5425 -2.3078 0.1708 C.3 1 UNL1111111111 0.0887 9 C -1.6337 -3.7337 -0.3868 C.3 1 UNL1111111111 -0.0518 10 C 3.1723 -0.5599 0.0889 C.2 1 UNL1111111111 0.5951 11 C 4.2514 -0.9210 1.0887 C.3 1 UNL1111111111 -0.3385 12 N 2.0660 0.1011 0.6110 N.am 1 UNL1111111111 -0.6188 13 O -1.3036 2.2660 1.8243 O.3 1 UNL1111111111 -0.5708 14 O -3.4216 2.1375 1.1205 O.2 1 UNL1111111111 -0.4654 15 O -2.5491 2.1581 -1.4835 O.3 1 UNL1111111111 -0.5141 16 O 2.0292 2.6869 -0.6300 O.3 1 UNL1111111111 -0.5404 17 O -1.4096 0.4519 -0.6143 O.3 1 UNL1111111111 -0.4804 18 O -0.3739 -1.6499 -1.8149 O.3 1 UNL1111111111 -0.5345 19 O -1.2959 -2.3402 1.5650 O.3 1 UNL1111111111 -0.5753 20 O -2.8612 -4.2278 0.1320 O.3 1 UNL1111111111 -0.5700 21 C 5.6003 -0.4637 0.5409 C.3 1 UNL1111111111 -0.4228 22 O 3.2179 -0.8685 -1.0805 O.2 1 UNL1111111111 -0.5091 23 H -3.3795 1.6273 -1.3749 H 1 UNL1111111111 0.3506 24 H -0.1734 2.6032 -1.9332 H 1 UNL1111111111 0.2013 25 H -0.5399 3.7310 -0.6258 H 1 UNL1111111111 0.1719 26 H 0.8161 2.4084 1.0058 H 1 UNL1111111111 0.1362 27 H 2.0157 3.6626 -0.5792 H 1 UNL1111111111 0.3146 28 H 1.2977 0.3987 -1.3520 H 1 UNL1111111111 0.2113 29 H -0.5169 -0.0564 1.1771 H 1 UNL1111111111 0.1632 30 H 0.6395 -2.0870 -0.1527 H 1 UNL1111111111 0.1741 31 H -2.4905 -1.7496 0.0019 H 1 UNL1111111111 0.1482 32 H -0.9590 -0.9443 -2.1731 H 1 UNL1111111111 0.3331 33 H -1.6529 -3.7374 -1.4916 H 1 UNL1111111111 0.1424 34 H -0.8137 -4.3749 -0.0189 H 1 UNL1111111111 0.1311 35 H -1.9229 -2.9651 1.9903 H 1 UNL1111111111 0.3406 36 H -3.1038 -5.0671 -0.2993 H 1 UNL1111111111 0.3200 37 H 2.0624 0.4510 1.5541 H 1 UNL1111111111 0.3064 38 H 4.0721 -0.4902 2.0899 H 1 UNL1111111111 0.1485 39 H 4.2458 -2.0244 1.2241 H 1 UNL1111111111 0.1717 40 H 5.7684 -0.8596 -0.4733 H 1 UNL1111111111 0.1696 41 H 5.6615 0.6289 0.4696 H 1 UNL1111111111 0.1491 42 H 6.4273 -0.8052 1.1724 H 1 UNL1111111111 0.1447 43 H -1.6685 2.4047 2.7347 H 1 UNL1111111111 0.3616 @BOND 1 1 13 1 2 1 2 1 3 2 15 1 4 2 3 1 5 2 17 1 6 3 4 1 7 3 24 1 8 3 25 1 9 4 16 1 10 4 5 1 11 4 26 1 12 5 12 1 13 5 28 1 14 6 7 1 15 6 5 1 16 6 29 1 17 7 8 1 18 7 18 1 19 7 30 1 20 8 9 1 21 8 19 1 22 8 31 1 23 9 20 1 24 9 33 1 25 9 34 1 26 10 22 2 27 10 11 1 28 11 21 1 29 11 38 1 30 11 39 1 31 12 10 am 32 12 37 1 33 13 43 1 34 14 1 2 35 15 23 1 36 16 27 1 37 17 6 1 38 18 32 1 39 19 35 1 40 20 36 1 41 21 40 1 42 21 41 1 43 21 42 1