@MOLECULE 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl 6-deoxy-3-o-beta-l-glucopyranosyl-alpha-l-mannopyranoside 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6856 -1.3947 -1.0598 O.3 1 UNL1 -0.4055 2 O -0.8754 -2.1574 0.0022 O.3 1 UNL1 -0.4964 3 O -4.8886 1.0396 1.4113 O.3 1 UNL1 -0.3618 4 O -3.3134 -2.2088 1.6583 O.3 1 UNL1 -0.5631 5 O -4.7165 0.4794 -1.3622 O.3 1 UNL1 -0.5207 6 O -2.9007 2.0696 1.3478 O.3 1 UNL1 -0.3909 7 O -1.5770 -2.3462 -3.5783 O.3 1 UNL1 -0.5209 8 O 0.1102 -4.6734 -2.9673 O.3 1 UNL1 -0.5556 9 O 2.0552 -3.9772 -0.9290 O.3 1 UNL1 -0.5491 10 O 0.5467 -1.7537 2.3038 O.3 1 UNL1 -0.5607 11 O -0.6567 0.9172 2.0876 O.3 1 UNL1 -0.4282 12 O 1.7033 1.5030 0.8280 O.2 1 UNL1 -0.2498 13 O -0.6682 4.6895 -1.9109 O.3 1 UNL1 -0.4501 14 O 1.9490 4.2052 -2.2195 O.2 1 UNL1 -0.5383 15 O 4.1525 2.6919 -1.5570 O.3 1 UNL1 -0.4290 16 O 6.7083 -1.9705 1.8753 O.3 1 UNL1 -0.4663 17 C -2.9371 -0.4798 0.0055 C.3 1 UNL1 -0.0213 18 C -3.9433 -1.1671 0.9417 C.3 1 UNL1 0.0785 19 C -3.5580 0.7754 -0.6182 C.3 1 UNL1 0.0120 20 C -1.3255 -1.6681 -1.2532 C.3 1 UNL1 0.2758 21 C -1.2598 -2.8043 -2.2917 C.3 1 UNL1 0.0233 22 C 0.1513 -3.4252 -2.3096 C.3 1 UNL1 0.0370 23 C -4.3908 -0.1563 2.0250 C.3 1 UNL1 0.1086 24 C 0.6621 -3.7631 -0.8935 C.3 1 UNL1 0.0753 25 C 0.4840 -2.5473 0.0358 C.3 1 UNL1 0.0584 26 C -4.0447 1.6866 0.5358 C.3 1 UNL1 0.3021 27 C -5.5852 -0.6747 2.8090 C.3 1 UNL1 -0.4592 28 C 0.7128 -2.9080 1.5120 C.3 1 UNL1 -0.0039 29 C -1.7906 2.4645 0.6944 C.ar 1 UNL1 0.3248 30 C -0.5819 1.8457 1.0947 C.ar 1 UNL1 0.0072 31 C -1.8077 3.4269 -0.3136 C.ar 1 UNL1 -0.4101 32 C 0.5936 2.1806 0.4238 C.ar 1 UNL1 0.2203 33 C -0.6087 3.7625 -0.9514 C.ar 1 UNL1 0.4243 34 C 0.6031 3.1212 -0.6166 C.ar 1 UNL1 -0.4271 35 C 1.8378 3.3864 -1.3164 C.ar 1 UNL1 0.4886 36 C 2.8742 1.6569 0.1129 C.ar 1 UNL1 0.1984 37 C 2.9727 2.5606 -0.8936 C.ar 1 UNL1 -0.0302 38 C 3.8626 0.7203 0.6128 C.ar 1 UNL1 -0.1395 39 C 5.2313 0.9781 0.4377 C.ar 1 UNL1 -0.0259 40 C 3.4447 -0.4539 1.2554 C.ar 1 UNL1 -0.0316 41 C 6.1772 0.0620 0.8729 C.ar 1 UNL1 -0.2694 42 C 4.3767 -1.3826 1.6989 C.ar 1 UNL1 -0.3217 43 C 5.7324 -1.1131 1.4905 C.ar 1 UNL1 0.3242 44 H -2.0041 -0.2314 0.5693 H 1 UNL1 0.1824 45 H -4.7975 -1.6068 0.3842 H 1 UNL1 0.1532 46 H -2.8513 1.2942 -1.3036 H 1 UNL1 0.1493 47 H -0.7644 -0.7512 -1.5254 H 1 UNL1 0.1221 48 H -2.0496 -3.5730 -2.1018 H 1 UNL1 0.1905 49 H 0.8770 -2.7779 -2.8532 H 1 UNL1 0.1434 50 H -3.5366 0.1161 2.6859 H 1 UNL1 0.1580 51 H 0.1660 -4.6797 -0.5035 H 1 UNL1 0.1523 52 H 1.1307 -1.6962 -0.2747 H 1 UNL1 0.1525 53 H -4.6011 2.5928 0.2233 H 1 UNL1 0.1645 54 H -6.4757 -0.7702 2.1737 H 1 UNL1 0.1613 55 H -5.8451 0.0010 3.6334 H 1 UNL1 0.1595 56 H -5.3624 -1.6647 3.2324 H 1 UNL1 0.1712 57 H 1.7615 -3.2172 1.6891 H 1 UNL1 0.1597 58 H 0.0215 -3.6952 1.8617 H 1 UNL1 0.1330 59 H -2.6244 -2.6323 1.0990 H 1 UNL1 0.3386 60 H -4.5493 -0.3221 -1.9125 H 1 UNL1 0.3349 61 H -1.0589 -1.5508 -3.8239 H 1 UNL1 0.3149 62 H -0.3985 -4.5984 -3.8071 H 1 UNL1 0.3403 63 H 2.2694 -4.6569 -1.6089 H 1 UNL1 0.3408 64 H -0.3860 -1.4353 2.2395 H 1 UNL1 0.3408 65 H -2.7284 3.9312 -0.5975 H 1 UNL1 0.2019 66 H 0.2555 0.5989 2.3385 H 1 UNL1 0.3392 67 H 0.2509 4.8466 -2.3222 H 1 UNL1 0.3805 68 H 5.5578 1.9057 -0.0429 H 1 UNL1 0.1780 69 H 2.3784 -0.6488 1.4145 H 1 UNL1 0.1777 70 H 4.0517 3.3887 -2.2714 H 1 UNL1 0.3478 71 H 7.2426 0.2366 0.7427 H 1 UNL1 0.1812 72 H 4.0563 -2.2943 2.1924 H 1 UNL1 0.1677 73 H 6.3455 -2.7953 2.2825 H 1 UNL1 0.3306 @BOND 1 61 7 1 2 62 8 1 3 7 21 1 4 8 22 1 5 49 22 1 6 67 13 1 7 22 21 1 8 22 24 1 9 21 48 1 10 21 20 1 11 70 15 1 12 14 35 2 13 60 5 1 14 13 33 1 15 63 9 1 16 15 37 1 17 47 20 1 18 5 19 1 19 35 37 ar 20 35 34 ar 21 46 19 1 22 20 1 1 23 20 2 1 24 1 17 1 25 33 34 ar 26 33 31 ar 27 9 24 1 28 37 36 ar 29 24 51 1 30 24 25 1 31 19 17 1 32 19 26 1 33 34 32 ar 34 65 31 1 35 31 29 ar 36 52 25 1 37 68 39 1 38 2 25 1 39 17 44 1 40 17 18 1 41 25 28 1 42 36 38 1 43 36 12 ar 44 53 26 1 45 45 18 1 46 32 12 ar 47 32 30 ar 48 39 38 ar 49 39 41 ar 50 26 6 1 51 26 3 1 52 38 40 ar 53 29 30 ar 54 29 6 1 55 71 41 1 56 41 43 ar 57 18 4 1 58 18 23 1 59 30 11 1 60 59 4 1 61 40 69 1 62 40 42 ar 63 3 23 1 64 43 42 ar 65 43 16 1 66 28 57 1 67 28 58 1 68 28 10 1 69 42 72 1 70 16 73 1 71 23 50 1 72 23 27 1 73 11 66 1 74 54 27 1 75 64 10 1 76 27 56 1 77 27 55 1