@MOLECULE n-{(2r)-6-[(2,3-dihydroxybenzoyl)amino]-1-hydroxy-2-hexanyl}-2,3-dihydroxybenzamide 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9654 -1.8035 -1.2057 O.3 1 UNK1111111111 -0.5246 2 O -1.5686 -0.2856 -1.6040 O.2 0 UNK0 -0.5080 3 O 0.2597 2.6236 -1.7425 O.2 1 UNK1 -0.5439 4 O 0.0103 -0.6025 1.7920 O.3 0 UNK0 -0.4719 5 O 2.1495 -2.1289 2.3924 O.3 0 UNK0 -0.4954 6 O 1.9068 0.4838 -2.1801 O.3 1 UNK1 -0.4123 7 O 4.1362 -0.6685 -1.4637 O.3 1 UNK1 -0.4190 8 N -2.5350 -1.0181 0.3254 N.am 1 UNK1 -0.5918 9 N -0.2147 2.9413 0.4715 N.am 1 UNK1 -0.5783 10 C -4.0000 0.7544 1.2495 C.3 1 UNK1 -0.3215 11 C -3.7764 -0.2717 0.1178 C.3 1 UNK1 0.0845 12 C -2.8420 1.7514 1.3764 C.3 1 UNK1 -0.2591 13 C -2.6543 2.5598 0.0907 C.3 1 UNK1 -0.3180 14 C -4.9785 -1.2502 0.1000 C.3 1 UNK1 -0.0475 15 C -1.5068 3.5776 0.1983 C.3 1 UNK1 -0.0637 16 C -1.4974 -0.9354 -0.5824 C.2 0 UNK0 0.6069 17 C -0.3160 -1.7758 -0.2351 C.ar 0 UNK0 -0.1763 18 C 0.5644 2.4649 -0.5728 C.2 1 UNK1 0.6086 19 C 1.8372 1.8231 -0.1701 C.ar 1 UNK1 -0.2747 20 C 0.4096 -1.5775 0.9339 C.ar 0 UNK0 0.2150 21 C 0.0858 -2.7757 -1.1258 C.ar 0 UNK0 -0.0812 22 C 1.5245 -2.3931 1.2074 C.ar 0 UNK0 0.1381 23 C 2.4172 0.8742 -1.0078 C.ar 1 UNK1 0.2915 24 C 1.1890 -3.5764 -0.8466 C.ar 0 UNK0 -0.1438 25 C 2.4825 2.1942 1.0214 C.ar 1 UNK1 -0.1100 26 C 1.9216 -3.3871 0.3289 C.ar 0 UNK0 -0.2110 27 C 3.6388 0.2591 -0.6046 C.ar 1 UNK1 0.1630 28 C 3.6609 1.5846 1.4030 C.ar 1 UNK1 -0.1744 29 C 4.2460 0.6020 0.5878 C.ar 1 UNK1 -0.2321 30 H -4.9424 1.2996 1.0548 H 1 UNK1 0.1454 31 H -4.1358 0.2347 2.2163 H 1 UNK1 0.1369 32 H -3.7276 0.2418 -0.8880 H 1 UNK1 0.1945 33 H -3.0301 2.4312 2.2285 H 1 UNK1 0.1289 34 H -1.9127 1.1972 1.6224 H 1 UNK1 0.1496 35 H -2.4356 1.8737 -0.7609 H 1 UNK1 0.1860 36 H -3.5862 3.0850 -0.1755 H 1 UNK1 0.1402 37 H -4.8761 -2.0553 0.8446 H 1 UNK1 0.1163 38 H -5.9307 -0.7128 0.2497 H 1 UNK1 0.1149 39 H -1.7037 4.3176 1.0066 H 1 UNK1 0.1303 40 H -1.4317 4.1513 -0.7566 H 1 UNK1 0.1657 41 H -2.3998 -1.4664 1.2161 H 1 UNK1 0.3113 42 H -0.1228 2.4936 1.3726 H 1 UNK1 0.3045 43 H -5.6854 -2.4516 -1.3099 H 1 UNK1 0.3033 44 H -0.4887 -2.9230 -2.0434 H 0 UNK0 0.1767 45 H 1.4943 -4.3468 -1.5530 H 0 UNK0 0.1590 46 H 2.0602 2.9870 1.6375 H 1 UNK1 0.1567 47 H 2.7950 -4.0006 0.5422 H 0 UNK0 0.1559 48 H 4.1460 1.8600 2.3360 H 1 UNK1 0.1514 49 H 5.1714 0.1285 0.8998 H 1 UNK1 0.1527 50 H 0.6773 -0.5067 2.5269 H 0 UNK0 0.3508 51 H 2.9578 -2.6809 2.5080 H 0 UNK0 0.3375 52 H 1.0465 0.9768 -2.3904 H 1 UNK1 0.3745 53 H 4.9881 -1.0400 -1.1279 H 1 UNK1 0.3082 @BOND 1 1 14 1 2 1 43 1 3 2 16 2 4 3 18 2 5 4 20 1 6 4 50 1 7 5 22 1 8 5 51 1 9 6 23 1 10 6 52 1 11 7 27 1 12 7 53 1 13 8 11 1 14 8 16 am 15 8 41 1 16 9 15 1 17 9 18 am 18 9 42 1 19 10 11 1 20 10 12 1 21 10 30 1 22 10 31 1 23 11 14 1 24 11 32 1 25 12 13 1 26 12 33 1 27 12 34 1 28 13 15 1 29 13 35 1 30 13 36 1 31 14 37 1 32 14 38 1 33 15 39 1 34 15 40 1 35 16 17 1 36 17 20 ar 37 17 21 ar 38 18 19 1 39 19 23 ar 40 19 25 ar 41 20 22 ar 42 21 24 ar 43 21 44 1 44 22 26 ar 45 23 27 ar 46 24 26 ar 47 24 45 1 48 25 28 ar 49 25 46 1 50 26 47 1 51 27 29 ar 52 28 29 ar 53 28 48 1 54 29 49 1