@MOLECULE 6'-hydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-3'-yl beta-d-glucopyranoside 58 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.7417 -0.1944 0.4984 O.3 1 UNL1 -0.4510 2 O -2.6726 -1.2283 1.3782 O.3 1 UNL1 -0.3846 3 O 2.6352 1.2670 -0.8275 O.3 1 UNL1 -0.3742 4 O -1.7919 2.3699 -0.1998 O.3 1 UNL1 -0.2727 5 O 7.2862 1.5539 -0.3508 O.3 1 UNL1 -0.5595 6 O 7.2036 -1.0525 0.8854 O.3 1 UNL1 -0.5462 7 O 5.0997 1.7002 -2.2870 O.3 1 UNL1 -0.5546 8 O 3.5215 -2.5394 2.0469 O.3 1 UNL1 -0.5324 9 O -3.3049 -3.2940 1.9544 O.2 1 UNL1 -0.4158 10 O -6.0133 4.0064 1.1295 O.3 1 UNL1 -0.4626 11 C -2.6429 -0.3861 0.1896 C.3 1 UNL1 0.2927 12 C 6.2592 0.6121 -0.5801 C.3 1 UNL1 0.0692 13 C 6.1328 -0.1438 0.7582 C.3 1 UNL1 0.0719 14 C 4.9542 1.3483 -0.9286 C.3 1 UNL1 0.0292 15 C 4.8670 -1.0231 0.7536 C.3 1 UNL1 0.0459 16 C 3.7483 0.3930 -0.7849 C.3 1 UNL1 0.2685 17 C -1.2229 0.0011 -0.0475 C.ar 1 UNL1 -0.2315 18 C -3.1799 -1.2792 -0.9143 C.ar 1 UNL1 -0.0253 19 C -3.5260 0.7849 0.4544 C.ar 1 UNL1 -0.2487 20 C -0.8844 1.3437 -0.2330 C.ar 1 UNL1 0.2940 21 C 4.5723 -1.6071 2.1432 C.3 1 UNL1 -0.0102 22 C -3.5059 -2.5259 -0.3566 C.ar 1 UNL1 -0.1900 23 C -3.0556 2.0804 0.2419 C.ar 1 UNL1 0.3111 24 C 1.4024 0.7644 -0.5427 C.ar 1 UNL1 0.3376 25 C -0.2080 -0.9570 -0.0918 C.ar 1 UNL1 0.0002 26 C 0.4197 1.7581 -0.4929 C.ar 1 UNL1 -0.3379 27 C -3.1893 -2.4792 1.0865 C.2 1 UNL1 0.5769 28 C -3.3559 -1.0291 -2.2588 C.ar 1 UNL1 -0.1509 29 C 1.1084 -0.5887 -0.3426 C.ar 1 UNL1 -0.3284 30 C -4.8335 0.6142 0.9275 C.ar 1 UNL1 0.0066 31 C -4.0227 -3.5467 -1.1286 C.ar 1 UNL1 -0.0598 32 C -3.8490 3.2128 0.4432 C.ar 1 UNL1 -0.4011 33 C -3.8743 -2.0644 -3.0497 C.ar 1 UNL1 -0.0993 34 C -5.6545 1.7072 1.1517 C.ar 1 UNL1 -0.2958 35 C -5.1480 2.9926 0.8979 C.ar 1 UNL1 0.3573 36 C -4.2041 -3.2998 -2.4961 C.ar 1 UNL1 -0.1757 37 H 7.3966 2.1272 -1.1422 H 1 UNL1 0.3383 38 H 8.0570 -0.5684 0.7987 H 1 UNL1 0.3384 39 H 4.3295 2.2320 -2.5867 H 1 UNL1 0.3362 40 H 2.6864 -2.0807 1.8034 H 1 UNL1 0.3235 41 H -5.6143 4.8947 0.9557 H 1 UNL1 0.3320 42 H 6.5785 -0.0622 -1.4086 H 1 UNL1 0.1548 43 H 6.1557 0.5642 1.6171 H 1 UNL1 0.1529 44 H 4.8219 2.2672 -0.3134 H 1 UNL1 0.1647 45 H 4.9276 -1.8295 -0.0106 H 1 UNL1 0.1537 46 H 3.6658 -0.3757 -1.5787 H 1 UNL1 0.1372 47 H 5.4315 -2.2063 2.5075 H 1 UNL1 0.1651 48 H 4.3134 -0.8224 2.8764 H 1 UNL1 0.1333 49 H -0.4578 -2.0082 0.0775 H 1 UNL1 0.1665 50 H 0.6643 2.8062 -0.6354 H 1 UNL1 0.1940 51 H -3.1025 -0.0655 -2.6946 H 1 UNL1 0.1674 52 H 1.8889 -1.3440 -0.3666 H 1 UNL1 0.1812 53 H -5.2022 -0.3964 1.1236 H 1 UNL1 0.1653 54 H -4.2804 -4.5110 -0.6910 H 1 UNL1 0.1672 55 H -3.4539 4.2043 0.2600 H 1 UNL1 0.1840 56 H -4.0210 -1.8952 -4.1167 H 1 UNL1 0.1517 57 H -6.6712 1.5929 1.5190 H 1 UNL1 0.1844 58 H -4.6074 -4.0860 -3.1322 H 1 UNL1 0.1552 @BOND 1 56 33 1 2 58 36 1 3 33 36 ar 4 33 28 ar 5 51 28 1 6 39 7 1 7 36 31 ar 8 7 14 1 9 28 18 ar 10 46 16 1 11 42 12 1 12 37 5 1 13 31 54 1 14 31 22 ar 15 14 16 1 16 14 12 1 17 14 44 1 18 18 22 ar 19 18 11 1 20 3 16 1 21 3 24 1 22 16 1 1 23 50 26 1 24 12 5 1 25 12 13 1 26 24 26 ar 27 24 29 ar 28 26 20 ar 29 52 29 1 30 22 27 1 31 29 25 ar 32 20 4 1 33 20 17 ar 34 4 23 1 35 25 17 ar 36 25 49 1 37 17 11 1 38 45 15 1 39 11 19 1 40 11 2 1 41 23 32 ar 42 23 19 ar 43 55 32 1 44 32 35 ar 45 19 30 ar 46 1 15 1 47 15 13 1 48 15 21 1 49 13 6 1 50 13 43 1 51 38 6 1 52 35 10 1 53 35 34 ar 54 30 53 1 55 30 34 ar 56 41 10 1 57 27 2 1 58 27 9 2 59 34 57 1 60 40 8 1 61 8 21 1 62 21 47 1 63 21 48 1