@MOLECULE 5-hydroxy-8-methoxy-2,9-dimethyl-4-oxo-4h-benzo[g]chromen-6-yl beta-d-glucopyranoside 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.0018 -0.3170 0.5911 O.3 1 UNL1 -0.4638 2 O -1.1773 0.3990 -1.3280 O.3 1 UNL1 -0.3823 3 O -5.0837 -2.0591 -1.3658 O.3 1 UNL1 -0.5526 4 O -5.0230 -2.0896 1.5635 O.3 1 UNL1 -0.5340 5 O -3.9314 0.4528 -2.3211 O.3 1 UNL1 -0.5468 6 O -1.9617 -0.2288 3.5516 O.3 1 UNL1 -0.5383 7 O 4.8947 -0.6994 0.3736 O.2 1 UNL1 -0.2429 8 O 0.3802 4.7144 0.1248 O.3 1 UNL1 -0.3007 9 O 0.4283 -1.6501 -0.9399 O.3 1 UNL1 -0.3798 10 O 2.2340 -3.5019 -1.0279 O.2 1 UNL1 -0.4279 11 C -4.4956 -1.0675 -0.5541 C.3 1 UNL1 0.0360 12 C -3.9548 -1.6855 0.7479 C.3 1 UNL1 0.0338 13 C -3.3663 -0.4864 -1.4347 C.3 1 UNL1 0.0656 14 C -3.0601 -0.6591 1.4626 C.3 1 UNL1 0.0248 15 C -2.3896 0.3582 -0.5921 C.3 1 UNL1 0.2945 16 C -2.3468 -1.2654 2.6809 C.3 1 UNL1 -0.0125 17 C -0.2088 1.2163 -0.7633 C.ar 1 UNL1 0.3441 18 C 1.0445 0.6380 -0.4497 C.ar 1 UNL1 -0.3207 19 C 2.0669 1.5147 0.0273 C.ar 1 UNL1 0.2089 20 C -0.4828 2.5547 -0.6169 C.ar 1 UNL1 -0.4128 21 C 1.7920 2.8937 0.2258 C.ar 1 UNL1 -0.1566 22 C 1.3498 -0.7542 -0.5955 C.ar 1 UNL1 0.4588 23 C 0.5348 3.3863 -0.1020 C.ar 1 UNL1 0.2921 24 C 2.6301 -1.2581 -0.3703 C.ar 1 UNL1 -0.4255 25 C 3.3532 0.9894 0.3037 C.ar 1 UNL1 -0.3966 26 C 3.6063 -0.3465 0.0875 C.ar 1 UNL1 0.3550 27 C 2.8357 3.8053 0.7726 C.3 1 UNL1 -0.4117 28 C 2.9855 -2.6552 -0.5973 C.ar 1 UNL1 0.5043 29 C 5.2516 -2.0235 0.1956 C.ar 1 UNL1 -0.1830 30 C 4.3757 -2.9951 -0.2698 C.ar 1 UNL1 -0.3126 31 C -0.8706 5.3013 -0.2094 C.3 1 UNL1 -0.2049 32 C 6.5517 -2.3300 0.5135 C.3 1 UNL1 0.3809 33 H -5.2721 -0.2944 -0.3512 H 1 UNL1 0.1403 34 H -3.4196 -2.6468 0.5501 H 1 UNL1 0.1832 35 H -2.8521 -1.2861 -2.0164 H 1 UNL1 0.1700 36 H -3.6190 0.2590 1.7525 H 1 UNL1 0.1404 37 H -2.7662 1.3760 -0.3585 H 1 UNL1 0.1432 38 H -1.4670 -1.8669 2.3849 H 1 UNL1 0.1481 39 H -3.0389 -1.8805 3.2895 H 1 UNL1 0.1604 40 H -5.6040 -2.6855 -0.8155 H 1 UNL1 0.3394 41 H -5.5261 -1.3238 1.9172 H 1 UNL1 0.3187 42 H -4.5705 0.0091 -2.9294 H 1 UNL1 0.3420 43 H -1.4419 2.9631 -0.9150 H 1 UNL1 0.1826 44 H -1.2219 0.2863 3.1608 H 1 UNL1 0.3261 45 H 4.1403 1.6400 0.6729 H 1 UNL1 0.1882 46 H 2.4849 4.8413 0.8813 H 1 UNL1 0.1576 47 H 3.1687 3.4792 1.7703 H 1 UNL1 0.1566 48 H 3.7198 3.8400 0.1175 H 1 UNL1 0.1571 49 H 4.6742 -4.0277 -0.4107 H 1 UNL1 0.1794 50 H -0.4769 -1.2247 -1.0365 H 1 UNL1 0.3477 51 H -1.0725 5.2153 -1.2817 H 1 UNL1 0.1399 52 H -0.7108 6.3529 0.0686 H 1 UNL1 0.1523 53 H -1.6771 4.8722 0.3927 H 1 UNL1 0.1346 @BOND 1 42 5 1 2 5 13 1 3 35 13 1 4 13 15 1 5 13 11 1 6 3 40 1 7 3 11 1 8 2 17 1 9 2 15 1 10 51 31 1 11 50 9 1 12 10 28 2 13 9 22 1 14 43 20 1 15 17 20 ar 16 17 18 ar 17 20 23 ar 18 28 24 ar 19 28 30 ar 20 22 18 ar 21 22 24 ar 22 15 37 1 23 15 1 1 24 11 33 1 25 11 12 1 26 18 19 ar 27 49 30 1 28 24 26 ar 29 30 29 ar 30 31 52 1 31 31 8 1 32 31 53 1 33 23 8 1 34 23 21 ar 35 19 21 ar 36 19 25 ar 37 26 25 ar 38 26 7 ar 39 48 27 1 40 29 7 ar 41 29 32 1 42 21 27 1 43 25 45 1 44 34 12 1 45 1 14 1 46 12 14 1 47 12 4 1 48 27 46 1 49 27 47 1 50 14 36 1 51 14 16 1 52 4 41 1 53 38 16 1 54 16 39 1 55 16 6 1 56 44 6 1