@MOLECULE (5r,7s,8r)-5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-2h,5h-pyrano[4,3-b]pyran-2-one 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.0849 1.0350 0.3311 O.3 1 UNL1 -0.4668 2 O 0.6784 -1.8802 -0.1946 O.2 1 UNL1 -0.3833 3 O -0.8159 2.0610 -1.2766 O.3 1 UNL1 -0.5711 4 O 2.0399 2.0156 -0.0637 O.3 1 UNL1 -0.3436 5 O 2.6960 -2.6904 -0.3659 O.2 1 UNL1 -0.4037 6 C -1.6022 -1.3082 -0.0084 C.3 1 UNL1 -0.1846 7 C -2.4785 -0.1000 -0.4341 C.3 1 UNL1 0.1500 8 C -0.1709 -0.8677 -0.0817 C.ar 1 UNL1 0.3835 9 C 0.2301 0.4367 -0.0049 C.ar 1 UNL1 -0.4108 10 C -0.7988 1.5195 0.0248 C.3 1 UNL1 0.4087 11 C -1.8744 -1.7623 1.4263 C.3 1 UNL1 -0.4295 12 C -3.9593 -0.2759 -0.1334 C.3 1 UNL1 -0.4669 13 C 1.6265 0.7081 -0.0603 C.ar 1 UNL1 0.4192 14 C 2.5343 -0.2991 -0.1910 C.ar 1 UNL1 -0.4911 15 C 2.1004 -1.6590 -0.2643 C.ar 1 UNL1 0.6155 16 C 2.2677 2.5239 1.2484 C.3 1 UNL1 -0.1848 17 H -1.7870 -2.1590 -0.7112 H 1 UNL1 0.1773 18 H -2.3129 0.1235 -1.5158 H 1 UNL1 0.1399 19 H -0.6398 2.3171 0.7810 H 1 UNL1 0.1320 20 H -1.8253 -0.9179 2.1274 H 1 UNL1 0.1616 21 H -2.8710 -2.2112 1.5208 H 1 UNL1 0.1538 22 H -1.1456 -2.5163 1.7549 H 1 UNL1 0.1594 23 H -4.3436 -1.2179 -0.5369 H 1 UNL1 0.1544 24 H -4.1554 -0.2601 0.9474 H 1 UNL1 0.1649 25 H -4.5434 0.5445 -0.5703 H 1 UNL1 0.1579 26 H 3.6043 -0.1139 -0.2619 H 1 UNL1 0.2109 27 H -1.5405 2.7102 -1.3822 H 1 UNL1 0.3259 28 H 2.2859 3.6092 1.0793 H 1 UNL1 0.1540 29 H 3.2364 2.1661 1.6142 H 1 UNL1 0.1373 30 H 1.4646 2.2577 1.9412 H 1 UNL1 0.1299 @BOND 1 18 7 1 2 27 3 1 3 3 10 1 4 17 6 1 5 25 12 1 6 23 12 1 7 7 12 1 8 7 6 1 9 7 1 1 10 5 15 2 11 15 2 ar 12 15 14 ar 13 26 14 1 14 2 8 ar 15 14 13 ar 16 12 24 1 17 8 6 1 18 8 9 ar 19 4 13 1 20 4 16 1 21 13 9 ar 22 6 11 1 23 9 10 1 24 10 1 1 25 10 19 1 26 28 16 1 27 16 29 1 28 16 30 1 29 11 21 1 30 11 22 1 31 11 20 1