@MOLECULE 2-[(8s)-2-oxo-8,9-dihydro-2h-furo[2,3-h]chromen-8-yl]-2-propanyl beta-d-glucopyranoside 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0341 0.2009 0.5229 O.3 1 UNL1 -0.3800 2 O 3.2470 0.6580 0.4626 O.3 1 UNL1 -0.4379 3 O -1.0503 1.9210 -0.3941 O.3 1 UNL1 -0.3005 4 O 1.4895 -2.5261 0.2440 O.3 1 UNL1 -0.4987 5 O 3.8602 -2.9189 -1.3996 O.3 1 UNL1 -0.5202 6 O 6.1347 -1.3384 -0.5130 O.3 1 UNL1 -0.5521 7 O 5.5282 1.6611 -1.3042 O.3 1 UNL1 -0.5179 8 O -4.5093 -0.8986 0.8001 O.2 1 UNL1 -0.3596 9 O -6.2080 -1.9589 1.6573 O.2 1 UNL1 -0.4207 10 C 0.6709 1.3864 1.2184 C.3 1 UNL1 0.2872 11 C -0.8501 1.4922 0.9916 C.3 1 UNL1 0.0588 12 C 2.2909 -0.3489 0.7823 C.3 1 UNL1 0.2602 13 C 2.3817 -1.5431 -0.2044 C.3 1 UNL1 0.0673 14 C 3.8339 -2.0473 -0.2893 C.3 1 UNL1 0.0270 15 C 4.8031 -0.8813 -0.5457 C.3 1 UNL1 0.0401 16 C 4.5959 0.2452 0.4750 C.3 1 UNL1 0.0140 17 C -1.7059 0.2147 1.1818 C.3 1 UNL1 -0.2686 18 C 0.9192 1.2881 2.7271 C.3 1 UNL1 -0.5117 19 C 1.3797 2.5857 0.5973 C.3 1 UNL1 -0.4888 20 C -2.7023 0.3872 0.0832 C.ar 1 UNL1 -0.2397 21 C -2.1904 1.3293 -0.8270 C.ar 1 UNL1 0.3133 22 C 5.3858 1.5156 0.0859 C.3 1 UNL1 -0.0138 23 C -3.9791 -0.1010 -0.1464 C.ar 1 UNL1 0.3343 24 C -2.8255 1.6879 -2.0176 C.ar 1 UNL1 -0.3082 25 C -4.6922 0.2948 -1.3036 C.ar 1 UNL1 -0.2678 26 C -4.0834 1.1503 -2.2405 C.ar 1 UNL1 -0.0046 27 C -6.0383 -0.1831 -1.4459 C.ar 1 UNL1 0.0350 28 C -5.8490 -1.3254 0.7036 C.ar 1 UNL1 0.6012 29 C -6.5905 -0.9526 -0.4842 C.ar 1 UNL1 -0.3760 30 H -1.2583 2.3316 1.5994 H 1 UNL1 0.1394 31 H 2.4031 -0.6368 1.8448 H 1 UNL1 0.1084 32 H 1.9742 -1.2696 -1.2107 H 1 UNL1 0.1977 33 H 4.1204 -2.6378 0.6102 H 1 UNL1 0.1214 34 H 4.6876 -0.5137 -1.5985 H 1 UNL1 0.1913 35 H 4.8641 -0.0808 1.5039 H 1 UNL1 0.1161 36 H -2.1605 0.1545 2.1839 H 1 UNL1 0.1646 37 H -1.1096 -0.7140 1.0408 H 1 UNL1 0.1919 38 H 1.9870 1.3176 2.9642 H 1 UNL1 0.1579 39 H 0.4568 2.1266 3.2610 H 1 UNL1 0.1579 40 H 0.5064 0.3580 3.1379 H 1 UNL1 0.1621 41 H 1.3853 2.5005 -0.5022 H 1 UNL1 0.1836 42 H 2.4314 2.6380 0.9041 H 1 UNL1 0.1645 43 H 0.9043 3.5353 0.8562 H 1 UNL1 0.1481 44 H 6.3818 1.5272 0.5616 H 1 UNL1 0.1189 45 H 4.8153 2.4243 0.3710 H 1 UNL1 0.1623 46 H 1.9198 -3.1607 0.8566 H 1 UNL1 0.3047 47 H 4.7879 -3.0412 -1.7080 H 1 UNL1 0.3249 48 H 6.3856 -1.6753 0.3719 H 1 UNL1 0.3169 49 H -2.3544 2.3712 -2.7151 H 1 UNL1 0.1804 50 H -4.6277 1.4112 -3.1495 H 1 UNL1 0.1525 51 H 6.1676 0.9942 -1.6558 H 1 UNL1 0.3169 52 H -6.5945 0.1012 -2.3424 H 1 UNL1 0.1555 53 H -7.6079 -1.3375 -0.5404 H 1 UNL1 0.1903 @BOND 1 50 26 1 2 49 24 1 3 52 27 1 4 26 24 ar 5 26 25 ar 6 24 21 ar 7 47 5 1 8 51 7 1 9 34 15 1 10 27 25 ar 11 27 29 ar 12 5 14 1 13 7 22 1 14 25 23 ar 15 32 13 1 16 21 3 1 17 21 20 ar 18 15 6 1 19 15 14 1 20 15 16 1 21 53 29 1 22 6 48 1 23 41 19 1 24 29 28 ar 25 3 11 1 26 14 13 1 27 14 33 1 28 13 4 1 29 13 12 1 30 23 20 ar 31 23 8 ar 32 20 17 1 33 22 45 1 34 22 16 1 35 22 44 1 36 4 46 1 37 2 16 1 38 2 12 1 39 16 35 1 40 1 12 1 41 1 10 1 42 19 43 1 43 19 42 1 44 19 10 1 45 28 8 ar 46 28 9 2 47 12 31 1 48 11 17 1 49 11 10 1 50 11 30 1 51 37 17 1 52 17 36 1 53 10 18 1 54 18 38 1 55 18 40 1 56 18 39 1