@MOLECULE 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 4-o-acetyl-6-deoxy-alpha-l-erythro-hexopyranoside 36 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.4755 0.9178 0.2991 C.2 1 UNL1 0.2156 2 C 2.8325 -0.4131 0.0100 C.2 1 UNL1 -0.0434 3 O 1.5421 -0.1834 0.4328 O.2 1 UNL1 -0.2402 4 C 0.5487 -1.0877 0.0013 C.3 1 UNL1 -0.0479 5 O 0.0731 -3.3833 0.3119 O.3 1 UNL1 0.6378 6 C -0.7435 -0.7512 0.6243 C.3 1 UNL1 0.0859 7 C -1.2348 0.2374 -0.5562 C.3 1 UNL1 -0.2633 8 O -3.4013 1.8611 -1.6393 O.2 1 UNL1 -0.6295 9 C -1.2618 1.6923 -0.5474 C.2 1 UNL1 -0.3719 10 C -2.4448 2.4842 -1.0322 C.2 1 UNL1 0.5198 11 C -0.2616 5.1278 0.2164 C.1 1 UNL1 0.6099 12 O -0.4928 6.2560 0.1743 O.2 1 UNL1 -0.1800 13 C 0.0085 3.8480 0.2552 C.2 1 UNL1 -0.4832 14 C 0.8852 2.7978 0.6548 C.2 1 UNL1 -0.1703 15 O 2.6562 3.4150 1.7338 O.3 1 UNL1 -0.5044 16 C -0.3230 2.4762 -0.0224 C.2 1 UNL1 0.2441 17 C -0.0906 -0.3714 -1.4036 C.3 1 UNL1 0.5339 18 O 1.9945 2.4933 1.2460 O.2 1 UNL1 0.6748 19 C -2.5564 -0.3938 -0.2610 C.2 1 UNL1 -0.1543 20 C -1.9791 -1.2385 0.8478 C.3 1 UNL1 -0.2268 21 C -3.0603 -2.0020 1.4503 C.2 1 UNL1 0.3712 22 O -3.0674 -2.7740 2.3560 O.2 1 UNL1 -0.2677 23 C -4.3509 -1.5598 0.6362 C.2 1 UNL1 0.3208 24 O -5.4533 -1.9575 0.8157 O.2 1 UNL1 -0.2537 25 C -3.8750 -0.5414 -0.3858 C.2 1 UNL1 0.1371 26 O -4.6857 0.0300 -1.2765 O.2 1 UNL1 -0.4239 27 C -4.4024 1.1201 -1.9947 C.3 1 UNL1 0.6652 28 C 0.9574 -2.4811 -0.0752 C.3 1 UNL1 -0.3942 29 O 0.3197 -4.5588 0.2486 O.3 1 UNL1 -0.3474 30 C 2.2978 -2.7951 -0.5538 C.2 1 UNL1 0.4369 31 O 2.6379 -3.8765 -0.9510 O.2 1 UNL1 -0.2901 32 C 3.2188 -1.6252 -0.4646 C.3 1 UNL1 -0.0301 33 O 4.4867 -2.0518 -0.9312 O.2 1 UNL1 -0.0368 34 C 5.2558 -0.9815 -0.7691 C.2 1 UNL1 0.0111 35 C 5.3654 0.1801 -0.4232 C.2 1 UNL1 -0.1326 36 O 4.6956 1.2467 0.1018 O.2 1 UNL1 0.0278 @BOND 1 27 8 1 2 27 26 1 3 8 10 1 4 17 7 1 5 17 4 1 6 26 25 1 7 10 9 2 8 31 30 2 9 33 34 1 10 33 32 1 11 34 35 2 12 7 9 1 13 7 19 1 14 7 6 1 15 30 32 1 16 30 28 1 17 9 16 1 18 32 2 1 19 35 36 1 20 25 19 2 21 25 23 1 22 19 20 1 23 28 4 1 24 28 5 1 25 16 13 1 26 16 14 2 27 4 3 1 28 4 6 1 29 2 1 2 30 2 3 1 31 36 1 1 32 12 11 2 33 11 13 2 34 29 5 1 35 13 14 1 36 6 20 1 37 23 24 2 38 23 21 1 39 14 18 1 40 20 21 1 41 18 15 1 42 21 22 2