@MOLECULE (9r)-6,10,11,13-tetrahydroxy-9-isopropenyl-3,3-dimethyl-8,9-dihydro-3h,7h-benzo[c]pyrano[3,2-h]xanthen-7-one 54 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.3748 -0.4577 0.1846 O.2 1 UNL1 -0.2165 2 O -5.0765 -0.2075 -0.2577 O.3 1 UNL1 -0.3494 3 O 5.5953 -0.5360 -0.0367 O.3 1 UNL1 -0.4380 4 O -0.1264 3.5790 0.7875 O.2 1 UNL1 -0.5543 5 O 0.5935 -2.6538 0.7407 O.3 1 UNL1 -0.4320 6 O -2.7499 3.7148 0.5448 O.3 1 UNL1 -0.4566 7 O 5.3193 -3.1607 0.1024 O.3 1 UNL1 -0.4029 8 C 3.4204 1.2874 0.1291 C.3 1 UNL1 -0.1443 9 C 2.3093 2.0671 0.8689 C.3 1 UNL1 -0.2226 10 C 3.2222 -0.2024 0.2156 C.ar 1 UNL1 0.0646 11 C 0.9606 1.4899 0.6277 C.ar 1 UNL1 -0.2771 12 C 0.8223 0.1585 0.4256 C.ar 1 UNL1 0.3000 13 C 1.9397 -0.7651 0.3922 C.ar 1 UNL1 -0.2316 14 C 3.4985 1.7379 -1.3113 C.2 1 UNL1 0.0491 15 C -0.2013 2.3679 0.6170 C.ar 1 UNL1 0.5496 16 C -1.4992 0.3132 0.1827 C.ar 1 UNL1 0.3708 17 C -1.4669 1.6955 0.3883 C.ar 1 UNL1 -0.4888 18 C 4.3302 -1.0340 0.1039 C.ar 1 UNL1 0.0427 19 C -2.6826 -0.3920 -0.0453 C.ar 1 UNL1 -0.3436 20 C 1.8302 -2.1563 0.5259 C.ar 1 UNL1 0.3739 21 C -5.2137 -1.6424 -0.4624 C.3 1 UNL1 0.3320 22 C -3.8848 0.3518 -0.0565 C.ar 1 UNL1 0.4232 23 C -2.7024 2.3962 0.3606 C.ar 1 UNL1 0.4773 24 C 4.1917 -2.4344 0.2230 C.ar 1 UNL1 0.3233 25 C -2.7461 -1.8149 -0.2675 C.2 1 UNL1 -0.0359 26 C 4.3497 2.9433 -1.5383 C.3 1 UNL1 -0.4628 27 C -3.9311 -2.4066 -0.4677 C.2 1 UNL1 -0.3057 28 C -3.9116 1.7387 0.1409 C.ar 1 UNL1 -0.4543 29 C 2.9419 -3.0051 0.4498 C.ar 1 UNL1 -0.4722 30 C -6.1102 -2.0749 0.7000 C.3 1 UNL1 -0.4871 31 C -5.9189 -1.7267 -1.8178 C.3 1 UNL1 -0.4859 32 C 2.8480 1.1305 -2.3049 C.2 1 UNL1 -0.3576 33 H 4.3921 1.5363 0.6439 H 1 UNL1 0.1703 34 H 2.3298 3.1384 0.5642 H 1 UNL1 0.1761 35 H 2.5197 2.0721 1.9613 H 1 UNL1 0.1573 36 H -1.8043 -2.3677 -0.2640 H 1 UNL1 0.1636 37 H -4.0345 -3.4714 -0.6424 H 1 UNL1 0.1598 38 H -4.8482 2.2870 0.1222 H 1 UNL1 0.2040 39 H 3.9573 3.8139 -0.9892 H 1 UNL1 0.1657 40 H 5.3842 2.7879 -1.2061 H 1 UNL1 0.1513 41 H 4.3903 3.2354 -2.5968 H 1 UNL1 0.1575 42 H 2.8297 -4.0756 0.5591 H 1 UNL1 0.1747 43 H -5.2592 -1.3812 -2.6245 H 1 UNL1 0.1650 44 H -6.2246 -2.7517 -2.0470 H 1 UNL1 0.1547 45 H -6.9945 -1.4293 0.7783 H 1 UNL1 0.1648 46 H -5.5745 -2.0063 1.6557 H 1 UNL1 0.1646 47 H -6.4531 -3.1065 0.5779 H 1 UNL1 0.1546 48 H -6.8143 -1.0920 -1.8384 H 1 UNL1 0.1642 49 H 2.8869 1.4568 -3.3314 H 1 UNL1 0.1508 50 H 2.2116 0.2692 -2.1727 H 1 UNL1 0.1568 51 H 5.6277 0.0692 -0.8235 H 1 UNL1 0.3214 52 H 0.5988 -3.6382 0.8592 H 1 UNL1 0.3279 53 H -1.8052 4.0932 0.6917 H 1 UNL1 0.3871 54 H 5.1480 -4.1322 0.2211 H 1 UNL1 0.3208 @BOND 1 49 32 1 2 43 31 1 3 41 26 1 4 32 50 1 5 32 14 2 6 44 31 1 7 48 31 1 8 31 21 1 9 26 14 1 10 26 40 1 11 26 39 1 12 14 8 1 13 51 3 1 14 37 27 1 15 27 21 1 16 27 25 2 17 21 2 1 18 21 30 1 19 25 36 1 20 25 19 1 21 2 22 1 22 22 19 ar 23 22 28 ar 24 19 16 ar 25 3 18 1 26 7 54 1 27 7 24 1 28 18 10 ar 29 18 24 ar 30 38 28 1 31 8 10 1 32 8 33 1 33 8 9 1 34 28 23 ar 35 16 1 ar 36 16 17 ar 37 1 12 ar 38 10 13 ar 39 24 29 ar 40 23 17 ar 41 23 6 1 42 17 15 ar 43 13 12 1 44 13 20 ar 45 12 11 ar 46 29 20 ar 47 29 42 1 48 20 5 1 49 6 53 1 50 34 9 1 51 47 30 1 52 15 11 ar 53 15 4 2 54 11 9 1 55 30 45 1 56 30 46 1 57 5 52 1 58 9 35 1