@MOLECULE 3,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl 6-deoxy-alpha-d-mannopyranoside 48 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.3888 -1.2125 -0.5167 O.3 1 UNL1 -0.4094 2 O -2.4358 0.8733 -0.2122 O.3 1 UNL1 -0.4392 3 O -6.6361 1.2170 0.0691 O.3 1 UNL1 -0.5665 4 O -5.9628 -0.7288 2.0190 O.3 1 UNL1 -0.5615 5 O -5.3389 0.3157 -2.0948 O.3 1 UNL1 -0.5350 6 O 1.8759 2.6498 0.2304 O.2 1 UNL1 -0.2978 7 O 2.8191 -2.2955 -0.2296 O.2 1 UNL1 -0.3775 8 O -0.7746 2.9723 0.0813 O.3 1 UNL1 -0.3822 9 O 5.5941 -2.5701 -0.1598 O.3 1 UNL1 -0.4550 10 O 0.8797 -3.2466 -0.4383 O.2 1 UNL1 -0.3978 11 O 3.8226 3.5886 0.4499 O.2 1 UNL1 -0.3873 12 O 7.1510 -0.3400 0.1816 O.3 1 UNL1 -0.4269 13 C -5.3348 0.7224 0.3123 C.3 1 UNL1 0.0747 14 C -5.3978 -0.7591 0.7240 C.3 1 UNL1 0.0391 15 C -4.6015 0.8754 -1.0323 C.3 1 UNL1 0.0551 16 C -3.9651 -1.3273 0.7840 C.3 1 UNL1 0.0881 17 C -3.2830 0.0648 -1.0360 C.3 1 UNL1 0.3052 18 C -3.9375 -2.8217 1.0630 C.3 1 UNL1 -0.4721 19 C -1.1036 0.5827 -0.2086 C.ar 1 UNL1 0.1206 20 C 1.6353 0.2596 -0.0441 C.ar 1 UNL1 -0.0370 21 C 3.0559 0.0965 0.0251 C.ar 1 UNL1 -0.0858 22 C 0.8117 -0.8582 -0.2207 C.ar 1 UNL1 -0.1656 23 C 1.1043 1.5463 0.0583 C.ar 1 UNL1 0.1375 24 C -0.2878 1.7209 -0.0251 C.ar 1 UNL1 0.1859 25 C -0.5703 -0.6997 -0.3034 C.ar 1 UNL1 -0.1411 26 C 3.8889 1.2084 0.1872 C.ar 1 UNL1 -0.1107 27 C 3.5897 -1.1887 -0.0844 C.ar 1 UNL1 0.1588 28 C 1.4188 -2.1849 -0.3088 C.ar 1 UNL1 0.6085 29 C 3.2697 2.5356 0.2991 C.ar 1 UNL1 0.5749 30 C 4.9759 -1.3697 -0.0421 C.ar 1 UNL1 0.0933 31 C 5.2693 1.0474 0.2387 C.ar 1 UNL1 -0.1610 32 C 5.8048 -0.2423 0.1240 C.ar 1 UNL1 0.2269 33 H -4.8696 1.3430 1.1130 H 1 UNL1 0.1535 34 H -6.0537 -1.3442 0.0445 H 1 UNL1 0.1505 35 H -4.4245 1.9490 -1.2724 H 1 UNL1 0.1546 36 H -3.3363 -0.7587 1.5064 H 1 UNL1 0.1493 37 H -2.8512 -0.0973 -2.0484 H 1 UNL1 0.1688 38 H -4.5560 -3.3827 0.3497 H 1 UNL1 0.1645 39 H -2.9141 -3.2174 0.9621 H 1 UNL1 0.1752 40 H -4.2774 -3.0491 2.0788 H 1 UNL1 0.1533 41 H -7.2192 1.0020 0.8328 H 1 UNL1 0.3465 42 H -6.0966 -1.6347 2.3632 H 1 UNL1 0.3270 43 H -6.2987 0.5151 -1.9628 H 1 UNL1 0.3474 44 H -1.2170 -1.5745 -0.4375 H 1 UNL1 0.2074 45 H 5.9392 1.9030 0.3653 H 1 UNL1 0.2023 46 H -1.7722 2.9633 0.0003 H 1 UNL1 0.3354 47 H 4.9236 -3.3070 -0.2308 H 1 UNL1 0.3591 48 H 7.4479 -1.2893 0.1010 H 1 UNL1 0.3463 @BOND 1 5 43 1 2 5 15 1 3 37 17 1 4 35 15 1 5 17 15 1 6 17 1 1 7 17 2 1 8 15 13 1 9 1 16 1 10 10 28 2 11 44 25 1 12 28 7 ar 13 28 22 ar 14 25 22 ar 15 25 19 ar 16 47 9 1 17 7 27 ar 18 22 20 ar 19 2 19 1 20 19 24 ar 21 9 30 1 22 27 30 ar 23 27 21 ar 24 20 21 ar 25 20 23 ar 26 30 32 ar 27 24 23 ar 28 24 8 1 29 46 8 1 30 21 26 ar 31 34 14 1 32 23 6 ar 33 3 13 1 34 3 41 1 35 48 12 1 36 32 12 1 37 32 31 ar 38 26 31 ar 39 26 29 ar 40 6 29 ar 41 31 45 1 42 29 11 2 43 13 14 1 44 13 33 1 45 38 18 1 46 14 16 1 47 14 4 1 48 16 18 1 49 16 36 1 50 39 18 1 51 18 40 1 52 4 42 1