@MOLECULE (2r,6e)-2,5-dihydroxy-6-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)-2-propen-1-ylidene]-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-4-cyclohexene-1,3-dione 75 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4206 0.1359 -1.9514 O.2 1 UNL1 -0.5116 2 C 1.4769 0.4986 -1.2760 C.2 1 UNL1 0.5309 3 C 1.5023 1.2271 -0.0371 C.2 1 UNL1 -0.4425 4 C 2.8259 1.6000 0.5554 C.3 1 UNL1 0.1234 5 O 3.7047 1.7247 -0.5437 O.3 1 UNL1 -0.3706 6 C 5.0455 2.0069 -0.1790 C.3 1 UNL1 0.0209 7 C 5.7200 2.3091 -1.5283 C.3 1 UNL1 -0.0060 8 O 5.1154 3.4421 -2.1103 O.3 1 UNL1 -0.5390 9 C 5.6136 0.7360 0.4702 C.3 1 UNL1 0.0548 10 O 6.9248 1.0759 0.8662 O.3 1 UNL1 -0.5490 11 C 4.7951 0.3492 1.7182 C.3 1 UNL1 0.0404 12 O 5.1028 -0.9832 2.0559 O.3 1 UNL1 -0.5655 13 C 3.2803 0.4765 1.5269 C.3 1 UNL1 0.0617 14 O 2.6323 0.8028 2.7523 O.3 1 UNL1 -0.6414 15 C 0.3390 1.4836 0.6361 C.2 1 UNL1 0.4957 16 O 0.3885 1.9852 1.8931 O.2 1 UNL1 -0.5681 17 C -0.9902 1.2747 0.1391 C.2 1 UNL1 -0.5221 18 C -2.1500 1.5051 0.8546 C.2 1 UNL1 0.5308 19 O -2.1567 1.8389 2.1441 O.2 1 UNL1 -0.4536 20 C -3.5083 1.4091 0.3477 C.2 1 UNL1 -0.2904 21 C -4.5273 0.9480 1.0952 C.2 1 UNL1 0.0016 22 C -5.8999 0.8386 0.6273 C.ar 1 UNL1 -0.1359 23 C -6.8709 0.3136 1.4925 C.ar 1 UNL1 -0.0429 24 C -8.1975 0.2033 1.0934 C.ar 1 UNL1 -0.3269 25 C -8.5403 0.6290 -0.1932 C.ar 1 UNL1 0.3184 26 O -9.8068 0.5672 -0.6674 O.3 1 UNL1 -0.4632 27 C -7.5938 1.1490 -1.0848 C.ar 1 UNL1 -0.2612 28 C -6.2772 1.2466 -0.6633 C.ar 1 UNL1 -0.0413 29 C -1.1108 0.7384 -1.2264 C.2 1 UNL1 0.5135 30 O -2.1014 0.8481 -1.8996 O.2 1 UNL1 -0.4139 31 C 0.0979 -0.0323 -1.7537 C.3 1 UNL1 0.0390 32 O 0.0223 0.0314 -3.1520 O.3 1 UNL1 -0.4870 33 C 0.1199 -1.5261 -1.3346 C.3 1 UNL1 0.0179 34 O 1.0485 -1.5517 -0.2529 O.3 1 UNL1 -0.4365 35 C 1.6382 -2.8129 -0.0184 C.3 1 UNL1 0.0249 36 C 2.9608 -2.8623 -0.8097 C.3 1 UNL1 -0.0117 37 O 3.7444 -1.7365 -0.4992 O.3 1 UNL1 -0.6188 38 C 0.6981 -3.9817 -0.3913 C.3 1 UNL1 0.0550 39 O 0.9934 -5.0426 0.4782 O.3 1 UNL1 -0.5362 40 C -0.8207 -3.6297 -0.3544 C.3 1 UNL1 0.0464 41 O -1.2983 -3.9487 0.9306 O.3 1 UNL1 -0.5548 42 C -1.1443 -2.1519 -0.7322 C.3 1 UNL1 0.0576 43 O -1.5087 -1.4632 0.4449 O.3 1 UNL1 -0.5443 44 H -3.6377 1.7288 -0.6948 H 1 UNL1 0.2129 45 H -4.3506 0.6168 2.1279 H 1 UNL1 0.1591 46 H 2.7869 2.5826 1.0889 H 1 UNL1 0.1442 47 H 5.0975 2.8850 0.4985 H 1 UNL1 0.1495 48 H 5.6456 1.4568 -2.2270 H 1 UNL1 0.1305 49 H 6.7780 2.6014 -1.3887 H 1 UNL1 0.1585 50 H 4.1544 3.2664 -2.2301 H 1 UNL1 0.3279 51 H 5.6597 -0.1127 -0.2519 H 1 UNL1 0.1537 52 H 7.3371 0.3161 1.3341 H 1 UNL1 0.3322 53 H 5.1525 0.9217 2.6086 H 1 UNL1 0.1611 54 H 4.7637 -1.5957 1.3535 H 1 UNL1 0.3491 55 H 2.8356 -0.5115 1.2393 H 1 UNL1 0.1785 56 H 3.2230 0.7621 3.5249 H 1 UNL1 0.3599 57 H 1.2375 1.7155 2.3816 H 1 UNL1 0.4112 58 H -1.2289 1.9574 2.5258 H 1 UNL1 0.3759 59 H -6.5858 -0.0156 2.4934 H 1 UNL1 0.1530 60 H -8.9465 -0.2039 1.7641 H 1 UNL1 0.1645 61 H -10.4426 0.1978 -0.0061 H 1 UNL1 0.3308 62 H -7.9015 1.4634 -2.0798 H 1 UNL1 0.1820 63 H -5.5255 1.6454 -1.3505 H 1 UNL1 0.1659 64 H 0.9351 -0.0503 -3.5368 H 1 UNL1 0.3331 65 H 0.4866 -2.1155 -2.2077 H 1 UNL1 0.1583 66 H 1.8322 -2.7853 1.0792 H 1 UNL1 0.1647 67 H 2.7966 -2.9028 -1.9002 H 1 UNL1 0.1239 68 H 3.5820 -3.7217 -0.4910 H 1 UNL1 0.1508 69 H 3.4122 -0.9226 -0.9538 H 1 UNL1 0.3735 70 H 0.9567 -4.3972 -1.3945 H 1 UNL1 0.1438 71 H 0.3617 -5.0464 1.2400 H 1 UNL1 0.3447 72 H -1.3719 -4.3336 -1.0211 H 1 UNL1 0.1495 73 H -1.5724 -3.1250 1.4081 H 1 UNL1 0.3471 74 H -2.0435 -2.0630 -1.3787 H 1 UNL1 0.1737 75 H -0.6948 -1.1402 0.9094 H 1 UNL1 0.3378 @BOND 1 64 32 1 2 32 31 1 3 50 8 1 4 48 7 1 5 65 33 1 6 8 7 1 7 62 27 1 8 1 2 2 9 67 36 1 10 30 29 2 11 31 33 1 12 31 2 1 13 31 29 1 14 7 49 1 15 7 6 1 16 70 38 1 17 74 42 1 18 63 28 1 19 33 42 1 20 33 34 1 21 2 3 1 22 29 17 1 23 27 28 ar 24 27 25 ar 25 72 40 1 26 69 37 1 27 36 37 1 28 36 68 1 29 36 35 1 30 42 40 1 31 42 43 1 32 44 20 1 33 26 25 1 34 26 61 1 35 28 22 ar 36 5 6 1 37 5 4 1 38 38 40 1 39 38 35 1 40 38 39 1 41 40 41 1 42 34 35 1 43 51 9 1 44 25 24 ar 45 6 9 1 46 6 47 1 47 3 4 1 48 3 15 2 49 35 66 1 50 17 15 1 51 17 18 2 52 20 18 1 53 20 21 2 54 43 75 1 55 9 10 1 56 9 11 1 57 39 71 1 58 4 46 1 59 4 13 1 60 22 21 1 61 22 23 ar 62 15 16 1 63 18 19 1 64 10 52 1 65 41 73 1 66 24 23 ar 67 24 60 1 68 21 45 1 69 55 13 1 70 54 12 1 71 23 59 1 72 13 11 1 73 13 14 1 74 11 12 1 75 11 53 1 76 16 57 1 77 19 58 1 78 14 56 1