@MOLECULE 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-galactopyranoside 72 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.1037 0.5479 1.1574 C.3 1 UNL1 0.0076 2 C 0.6090 0.2010 1.3368 C.3 1 UNL1 0.2828 3 C 3.9259 -0.8265 0.4665 C.3 1 UNL1 0.2674 4 C 4.2028 -2.3467 0.4850 C.3 1 UNL1 0.0323 5 C 2.6499 1.3450 2.3573 C.3 1 UNL1 0.0600 6 C 3.2347 -3.0761 -0.4644 C.3 1 UNL1 0.0626 7 C 1.6826 2.4906 2.7297 C.3 1 UNL1 0.0356 8 C 3.2853 -2.4129 -1.8545 C.3 1 UNL1 0.0477 9 C 0.2681 1.9312 2.9410 C.3 1 UNL1 0.0161 10 C 2.9177 -0.9212 -1.7113 C.3 1 UNL1 0.1203 11 C -5.2037 -0.8533 -0.8437 C.ar 1 UNL1 -0.4177 12 C -5.2649 -2.9206 0.4958 C.ar 1 UNL1 -0.4925 13 C -0.1669 1.7532 -2.1004 C.ar 1 UNL1 -0.0174 14 C -2.2215 2.9067 -1.4828 C.ar 1 UNL1 -0.0348 15 C -1.7614 4.0677 -2.0814 C.ar 1 UNL1 -0.2673 16 C 0.3151 2.9097 -2.7038 C.ar 1 UNL1 -0.3321 17 C -0.7771 3.0375 3.1615 C.3 1 UNL1 -0.0097 18 C 3.0816 -0.1531 -3.0127 C.3 1 UNL1 -0.4588 19 H 6.0002 -1.7967 -0.2098 H 1 UNL1 0.3334 20 H 3.8096 2.6937 1.4954 H 1 UNL1 0.3361 21 H 4.5431 -4.5403 -0.6878 H 1 UNL1 0.3353 22 H -2.3570 -3.4058 1.7709 H 1 UNL1 0.3883 23 H 1.1474 3.1188 0.9261 H 1 UNL1 0.3357 24 H 2.2177 -3.9290 -2.5214 H 1 UNL1 0.3363 25 H -7.6183 -2.8615 -0.2722 H 1 UNL1 0.3379 26 H 0.7717 5.1719 -3.6713 H 1 UNL1 0.3317 27 H -2.2713 1.7789 2.9000 H 1 UNL1 0.3251 28 C -3.9121 -2.7448 0.8029 C.ar 1 UNL1 0.4824 29 C -1.4255 1.7512 -1.4879 C.ar 1 UNL1 -0.1396 30 C -5.8798 -1.9654 -0.3186 C.ar 1 UNL1 0.4357 31 C -0.4950 4.0490 -2.6830 C.ar 1 UNL1 0.3271 32 O -1.1545 -2.1929 1.3535 O.2 1 UNL1 -0.5279 33 O 5.5131 -2.6265 0.0402 O.3 1 UNL1 -0.5586 34 O 3.9116 1.8653 2.0225 O.3 1 UNL1 -0.5400 35 O 3.5685 -4.4351 -0.5823 O.3 1 UNL1 -0.5464 36 O -3.3453 -3.6379 1.6115 O.3 1 UNL1 -0.4563 37 O 1.6985 3.4337 1.6826 O.3 1 UNL1 -0.5453 38 O 2.2972 -2.9637 -2.6981 O.3 1 UNL1 -0.5528 39 O -7.1856 -2.0462 -0.6412 O.3 1 UNL1 -0.4510 40 O -0.1154 5.2233 -3.2387 O.3 1 UNL1 -0.4653 41 O -2.0005 2.4587 3.5577 O.3 1 UNL1 -0.5347 42 O 0.1764 -0.0876 0.0171 O.3 1 UNL1 -0.3058 43 O 2.7009 -0.7321 1.1563 O.3 1 UNL1 -0.4424 44 C -1.1724 -0.3043 -0.0703 C.ar 1 UNL1 -0.0783 45 C -1.7704 -1.4610 0.5910 C.ar 1 UNL1 0.5192 46 C -1.9045 0.5497 -0.8250 C.ar 1 UNL1 0.2391 47 C -3.1740 -1.6510 0.2856 C.ar 1 UNL1 -0.4905 48 C -3.8555 -0.7352 -0.5305 C.ar 1 UNL1 0.3709 49 O -3.2444 0.3671 -1.0591 O.2 1 UNL1 -0.2416 50 O -0.1448 1.3406 1.7195 O.3 1 UNL1 -0.4792 51 O 3.8585 -0.3105 -0.8253 O.3 1 UNL1 -0.4596 52 H 2.2929 1.0831 0.1990 H 1 UNL1 0.1682 53 H 0.4065 -0.6504 2.0208 H 1 UNL1 0.1694 54 H 4.7030 -0.1875 0.9458 H 1 UNL1 0.1611 55 H 4.1527 -2.7695 1.5145 H 1 UNL1 0.1681 56 H 2.8718 0.6782 3.2202 H 1 UNL1 0.1655 57 H 2.1939 -3.0987 -0.0557 H 1 UNL1 0.1790 58 H 2.0543 3.0682 3.6055 H 1 UNL1 0.1654 59 H 4.2716 -2.5561 -2.3449 H 1 UNL1 0.1401 60 H 0.2258 1.1749 3.7565 H 1 UNL1 0.1509 61 H 1.8940 -0.8127 -1.2849 H 1 UNL1 0.1537 62 H -5.7202 -0.1250 -1.4608 H 1 UNL1 0.2043 63 H -5.8031 -3.7715 0.8945 H 1 UNL1 0.1926 64 H 0.4391 0.8408 -2.1135 H 1 UNL1 0.1760 65 H -3.2045 2.8874 -1.0072 H 1 UNL1 0.1661 66 H -2.3550 4.9783 -2.0970 H 1 UNL1 0.1822 67 H 1.2910 2.9234 -3.1769 H 1 UNL1 0.1681 68 H -0.5120 3.7063 4.0007 H 1 UNL1 0.1516 69 H -0.9357 3.6345 2.2434 H 1 UNL1 0.1398 70 H 2.4821 -0.6243 -3.8074 H 1 UNL1 0.1735 71 H 2.7653 0.8906 -2.9097 H 1 UNL1 0.1464 72 H 4.1289 -0.1430 -3.3423 H 1 UNL1 0.1570 @BOND 1 70 18 1 2 26 40 1 3 72 18 1 4 40 31 1 5 67 16 1 6 18 71 1 7 18 10 1 8 16 31 ar 9 16 13 ar 10 38 24 1 11 38 8 1 12 31 15 ar 13 59 8 1 14 64 13 1 15 13 29 ar 16 66 15 1 17 15 14 ar 18 8 10 1 19 8 6 1 20 10 61 1 21 10 51 1 22 29 14 ar 23 29 46 1 24 14 65 1 25 62 11 1 26 49 46 ar 27 49 48 ar 28 11 48 ar 29 11 30 ar 30 51 3 1 31 46 44 ar 32 21 35 1 33 39 30 1 34 39 25 1 35 35 6 1 36 48 47 ar 37 6 57 1 38 6 4 1 39 30 12 ar 40 19 33 1 41 44 42 1 42 44 45 ar 43 42 2 1 44 33 4 1 45 52 1 1 46 47 45 ar 47 47 28 ar 48 3 4 1 49 3 54 1 50 3 43 1 51 4 55 1 52 12 28 ar 53 12 63 1 54 45 32 2 55 28 36 1 56 23 37 1 57 43 1 1 58 1 2 1 59 1 5 1 60 2 50 1 61 2 53 1 62 20 34 1 63 36 22 1 64 37 7 1 65 50 9 1 66 34 5 1 67 69 17 1 68 5 7 1 69 5 56 1 70 7 9 1 71 7 58 1 72 27 41 1 73 9 17 1 74 9 60 1 75 17 41 1 76 17 68 1