@MOLECULE n-[(2z,5s)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]acetamide 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.3419 0.1045 0.2569 C.2 1 UNL1111 0.2731 2 C -2.6391 -0.6699 0.0857 C.3 1 UNL1111 0.0041 3 C -3.5654 0.0912 -0.9124 C.3 1 UNL1111 0.0763 4 C -3.6467 1.5854 -0.5178 C.3 1 UNL1111 0.0313 5 C -2.2342 2.1700 -0.4933 C.3 1 UNL1111 0.0006 6 C -2.1706 3.6044 0.0494 C.3 1 UNL1111 -0.0115 7 C -2.8814 -3.0999 0.3579 C.2 1 UNL1111 0.6304 8 C -2.4939 -4.4547 -0.1550 C.3 1 UNL1111 -0.5236 9 N -2.3959 -2.0244 -0.3809 N.am 1 UNL1111 -0.5975 10 O -4.8437 -0.4671 -0.9066 O.3 1 UNL1111 -0.5032 11 O -4.2657 1.7030 0.7387 O.3 1 UNL1111 -0.5252 12 O -1.4527 1.4504 0.4719 O.2 1 UNL1111 -0.3987 13 O -0.8812 4.1302 -0.1708 O.3 1 UNL1111 -0.5305 14 O -3.5816 -2.9090 1.3291 O.2 1 UNL1111 -0.5347 15 N 3.0982 0.2137 0.6577 N.am 1 UNL1111 -0.5592 16 C 2.0038 -0.1471 -0.1066 C.2 1 UNL1111 0.6866 17 O 0.8747 0.3639 0.5744 O.3 1 UNL1111 -0.2139 18 O 1.9661 -0.6934 -1.1731 O.2 1 UNL1111 -0.4570 19 C 4.4431 -0.0096 0.2734 C.ar 1 UNL1111 0.2304 20 C 4.8020 -0.5059 -0.9846 C.ar 1 UNL1111 -0.2266 21 C 6.1495 -0.6878 -1.2841 C.ar 1 UNL1111 -0.0913 22 C 7.1348 -0.3801 -0.3485 C.ar 1 UNL1111 -0.1992 23 C 6.7706 0.1133 0.9040 C.ar 1 UNL1111 -0.0900 24 C 5.4314 0.3000 1.2251 C.ar 1 UNL1111 -0.2511 25 N -0.1978 -0.4837 0.3300 N.2 1 UNL1111 -0.2191 26 H -3.1616 -0.7150 1.0943 H 1 UNL1111 0.2072 27 H -3.2332 -0.0488 -1.9659 H 1 UNL1111 0.1613 28 H -4.3400 2.1403 -1.1921 H 1 UNL1111 0.1766 29 H -1.7262 2.0941 -1.4813 H 1 UNL1111 0.1595 30 H -2.8420 4.2883 -0.5037 H 1 UNL1111 0.1579 31 H -2.4018 3.6494 1.1307 H 1 UNL1111 0.1436 32 H -1.4206 -4.6472 -0.0119 H 1 UNL1111 0.1819 33 H -3.0413 -5.2373 0.3957 H 1 UNL1111 0.1873 34 H -2.7256 -4.5820 -1.2206 H 1 UNL1111 0.1753 35 H -1.7013 -2.1427 -1.1033 H 1 UNL1111 0.3252 36 H -5.2931 -0.3019 -0.0417 H 1 UNL1111 0.3339 37 H -3.6366 1.4639 1.4579 H 1 UNL1111 0.3256 38 H -0.2066 3.4835 0.1344 H 1 UNL1111 0.3263 39 H 2.9402 0.6307 1.5741 H 1 UNL1111 0.3309 40 H 4.0460 -0.7535 -1.7319 H 1 UNL1111 0.1930 41 H 6.4323 -1.0752 -2.2633 H 1 UNL1111 0.1520 42 H 8.1840 -0.5242 -0.5929 H 1 UNL1111 0.1535 43 H 7.5401 0.3540 1.6370 H 1 UNL1111 0.1497 44 H 5.1583 0.6807 2.2054 H 1 UNL1111 0.1589 @BOND 1 1 2 1 2 1 12 1 3 1 25 2 4 2 3 1 5 2 9 1 6 2 26 1 7 3 4 1 8 3 10 1 9 3 27 1 10 4 5 1 11 4 11 1 12 4 28 1 13 5 6 1 14 5 12 1 15 5 29 1 16 6 13 1 17 6 30 1 18 6 31 1 19 7 8 1 20 7 9 am 21 7 14 2 22 8 32 1 23 8 33 1 24 8 34 1 25 9 35 1 26 10 36 1 27 11 37 1 28 13 38 1 29 15 16 am 30 15 19 1 31 15 39 1 32 16 17 1 33 16 18 2 34 17 25 1 35 19 20 ar 36 19 24 ar 37 20 21 ar 38 20 40 1 39 21 22 ar 40 21 41 1 41 22 23 ar 42 22 42 1 43 23 24 ar 44 23 43 1 45 24 44 1