@MOLECULE (6ar,12ar)-6a,12a-dihydro-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl beta-d-glucopyranoside 54 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.5451 1.5548 0.3012 O.3 1 UNL1 -0.3019 2 O 4.8272 1.0090 -0.0086 O.3 1 UNL1 -0.3991 3 O -0.8762 -1.2147 -1.3568 O.3 1 UNL1 -0.3523 4 O 2.8247 0.7589 0.8643 O.3 1 UNL1 -0.2879 5 O 5.8707 -2.8555 0.9783 O.3 1 UNL1 -0.5595 6 O 7.5269 -1.3344 -0.7761 O.3 1 UNL1 -0.5655 7 O 4.5704 -0.7816 2.1481 O.3 1 UNL1 -0.4955 8 O -8.0192 -1.4932 -0.2453 O.3 1 UNL1 -0.3384 9 O -8.3104 0.6799 0.6228 O.3 1 UNL1 -0.3332 10 O 6.5570 2.7377 -1.4383 O.3 1 UNL1 -0.5328 11 C -3.0325 -0.6636 -0.4258 C.3 1 UNL1 -0.1984 12 C -2.5895 0.8346 -0.5204 C.3 1 UNL1 0.1100 13 C -4.5074 -0.4877 -0.3135 C.ar 1 UNL1 -0.1467 14 C -2.2984 -1.3683 -1.5414 C.3 1 UNL1 -0.0343 15 C 5.4428 -1.8040 0.1384 C.3 1 UNL1 0.0690 16 C -1.1742 0.8780 -0.1102 C.ar 1 UNL1 -0.2632 17 C 6.5397 -0.7273 0.0342 C.3 1 UNL1 0.0455 18 C 4.2154 -1.2039 0.8541 C.3 1 UNL1 0.0423 19 C 5.9867 0.5273 -0.6692 C.3 1 UNL1 0.0049 20 C 3.7761 0.0579 0.0761 C.3 1 UNL1 0.2634 21 C -4.7053 0.8220 0.1949 C.ar 1 UNL1 0.2222 22 C -0.3988 -0.1881 -0.6040 C.ar 1 UNL1 0.3164 23 C -5.5699 -1.3620 -0.5031 C.ar 1 UNL1 -0.1233 24 C -0.5844 1.8599 0.6779 C.ar 1 UNL1 -0.0045 25 C 1.5312 0.7393 0.4417 C.ar 1 UNL1 0.3009 26 C 6.9480 1.7226 -0.5431 C.3 1 UNL1 -0.0195 27 C 0.9719 -0.2704 -0.3412 C.ar 1 UNL1 -0.3965 28 C -5.9449 1.3435 0.5595 C.ar 1 UNL1 -0.2689 29 C -6.8059 -0.8477 -0.1568 C.ar 1 UNL1 0.0592 30 C 0.7738 1.8009 0.9619 C.ar 1 UNL1 -0.2980 31 C -6.9856 0.4541 0.3626 C.ar 1 UNL1 0.1796 32 C -8.9875 -0.5438 0.2470 C.3 1 UNL1 0.1575 33 H 6.7554 -3.1715 0.6849 H 1 UNL1 0.3411 34 H 8.3186 -0.7673 -0.8604 H 1 UNL1 0.3262 35 H 5.0096 -1.5332 2.6162 H 1 UNL1 0.3255 36 H 5.6356 3.0175 -1.2331 H 1 UNL1 0.3289 37 H -2.6814 -1.1059 0.5523 H 1 UNL1 0.1863 38 H -2.7328 1.2613 -1.5430 H 1 UNL1 0.1494 39 H -2.4199 -2.4672 -1.5323 H 1 UNL1 0.1532 40 H -2.5247 -0.9748 -2.5479 H 1 UNL1 0.1436 41 H 5.1965 -2.2352 -0.8569 H 1 UNL1 0.1439 42 H 6.9648 -0.4949 1.0351 H 1 UNL1 0.1536 43 H 3.3850 -1.9398 0.9389 H 1 UNL1 0.1497 44 H 5.7458 0.3195 -1.7360 H 1 UNL1 0.1514 45 H 3.4107 -0.1665 -0.9485 H 1 UNL1 0.1261 46 H -5.4440 -2.3692 -0.8844 H 1 UNL1 0.1768 47 H -1.1983 2.6741 1.0710 H 1 UNL1 0.1673 48 H 6.9578 2.1262 0.4884 H 1 UNL1 0.1428 49 H 7.9736 1.4705 -0.8650 H 1 UNL1 0.1389 50 H 1.5393 -1.1117 -0.7179 H 1 UNL1 0.1807 51 H -6.0735 2.3439 0.9533 H 1 UNL1 0.1962 52 H 1.2588 2.5536 1.5794 H 1 UNL1 0.1847 53 H -9.4423 -0.9645 1.1545 H 1 UNL1 0.1417 54 H -9.6748 -0.3043 -0.5758 H 1 UNL1 0.1407 @BOND 1 40 14 1 2 44 19 1 3 38 12 1 4 14 39 1 5 14 3 1 6 14 11 1 7 10 36 1 8 10 26 1 9 3 22 1 10 45 20 1 11 46 23 1 12 49 26 1 13 34 6 1 14 41 15 1 15 6 17 1 16 50 27 1 17 19 26 1 18 19 2 1 19 19 17 1 20 22 27 ar 21 22 16 ar 22 54 32 1 23 26 48 1 24 12 11 1 25 12 16 1 26 12 1 1 27 23 13 ar 28 23 29 ar 29 11 13 1 30 11 37 1 31 27 25 ar 32 13 21 ar 33 8 29 1 34 8 32 1 35 29 31 ar 36 16 24 ar 37 2 20 1 38 17 15 1 39 17 42 1 40 20 18 1 41 20 4 1 42 15 18 1 43 15 5 1 44 21 1 1 45 21 28 ar 46 32 9 1 47 32 53 1 48 31 28 ar 49 31 9 1 50 25 4 1 51 25 30 ar 52 28 51 1 53 24 30 ar 54 24 47 1 55 33 5 1 56 18 43 1 57 18 7 1 58 30 52 1 59 7 35 1