@MOLECULE (9r,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydro-2h,8h-pyrano[2,3-f]chromen-10-yl acetate 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.0300 -1.8792 0.1350 O.3 1 UNL1 -0.3553 2 O -0.6074 1.5126 0.6057 O.3 1 UNL1 -0.4463 3 O -2.4378 -0.0304 -2.0868 O.3 1 UNL1 -0.5180 4 O 1.9984 0.5527 -0.3776 O.2 1 UNL1 -0.3582 5 O -0.8862 3.3430 -0.6721 O.2 1 UNL1 -0.4929 6 O 3.7963 1.7623 -0.5663 O.2 1 UNL1 -0.4081 7 C -2.8162 -0.6630 0.2181 C.3 1 UNL1 0.2572 8 C -2.2567 0.3912 -0.7590 C.3 1 UNL1 0.0473 9 C -0.7514 0.6563 -0.5307 C.3 1 UNL1 0.1205 10 C -0.0189 -0.5857 -0.1662 C.ar 1 UNL1 -0.3186 11 C -0.6932 -1.7657 0.1429 C.ar 1 UNL1 0.3471 12 C -2.7909 -0.1870 1.6624 C.3 1 UNL1 -0.5005 13 C -4.1958 -1.1521 -0.2067 C.3 1 UNL1 -0.4714 14 C 1.3850 -0.6116 -0.1109 C.ar 1 UNL1 0.3701 15 C -0.0057 -2.9681 0.4345 C.ar 1 UNL1 -0.3165 16 C 2.0964 -1.7849 0.1968 C.ar 1 UNL1 -0.2799 17 C 1.3711 -2.9647 0.4591 C.ar 1 UNL1 0.0088 18 C 3.5292 -1.7166 0.2280 C.ar 1 UNL1 0.0396 19 C -0.5939 2.8578 0.3872 C.2 1 UNL1 0.6325 20 C 3.4072 0.6527 -0.3360 C.ar 1 UNL1 0.5997 21 C 4.1546 -0.5479 -0.0285 C.ar 1 UNL1 -0.3750 22 C -0.1943 3.5506 1.6431 C.3 1 UNL1 -0.5076 23 H -2.8376 1.3419 -0.7127 H 1 UNL1 0.1777 24 H -0.3108 1.1540 -1.4346 H 1 UNL1 0.1855 25 H -3.4221 0.6963 1.8092 H 1 UNL1 0.1627 26 H -3.1448 -0.9702 2.3445 H 1 UNL1 0.1627 27 H -1.7736 0.0828 1.9857 H 1 UNL1 0.1797 28 H -4.9544 -0.3761 -0.0517 H 1 UNL1 0.1634 29 H -4.2203 -1.4238 -1.2724 H 1 UNL1 0.1738 30 H -4.4974 -2.0407 0.3626 H 1 UNL1 0.1614 31 H -0.5818 -3.8657 0.6438 H 1 UNL1 0.1819 32 H -2.0096 -0.9037 -2.2347 H 1 UNL1 0.3185 33 H 1.9176 -3.8817 0.6892 H 1 UNL1 0.1553 34 H 4.0856 -2.6281 0.4623 H 1 UNL1 0.1562 35 H 5.2375 -0.4374 -0.0200 H 1 UNL1 0.1915 36 H 0.8423 3.9233 1.5509 H 1 UNL1 0.1930 37 H -0.2241 2.8904 2.5229 H 1 UNL1 0.1818 38 H -0.8410 4.4190 1.8368 H 1 UNL1 0.1807 @BOND 1 32 3 1 2 3 8 1 3 24 9 1 4 29 13 1 5 8 23 1 6 8 9 1 7 8 7 1 8 5 19 2 9 6 20 2 10 9 10 1 11 9 2 1 12 4 20 ar 13 4 14 ar 14 20 21 ar 15 13 28 1 16 13 7 1 17 13 30 1 18 10 14 ar 19 10 11 ar 20 14 16 ar 21 21 35 1 22 21 18 ar 23 1 11 1 24 1 7 1 25 11 15 ar 26 16 18 ar 27 16 17 ar 28 7 12 1 29 18 34 1 30 19 2 1 31 19 22 1 32 15 17 ar 33 15 31 1 34 17 33 1 35 36 22 1 36 22 38 1 37 22 37 1 38 12 25 1 39 12 27 1 40 12 26 1