@MOLECULE (9r)-8,8-dimethyl-2-oxo-9,10-dihydro-2h,8h-pyrano[2,3-f]chromen-9-yl (2z)-2-methyl-2-butenoate 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0592 2.5219 -0.0076 O.3 1 UNL1 -0.3471 2 O 2.3581 -0.2060 -0.2189 O.3 1 UNL1 -0.4241 3 O -2.5805 -1.5109 -0.1050 O.2 1 UNL1 -0.3662 4 O 3.3138 0.0202 1.8016 O.2 1 UNL1 -0.4962 5 O -3.6978 -3.3758 -0.1660 O.2 1 UNL1 -0.4179 6 C 1.1584 1.8599 -0.4150 C.3 1 UNL1 0.2721 7 C 1.1860 0.4602 0.2481 C.3 1 UNL1 0.0600 8 C -0.0063 -0.3893 -0.2143 C.3 1 UNL1 -0.2704 9 C -1.2519 0.4113 -0.0661 C.ar 1 UNL1 -0.2470 10 C -1.1929 1.8030 0.0311 C.ar 1 UNL1 0.3235 11 C 1.1771 1.8289 -1.9361 C.3 1 UNL1 -0.4888 12 C 2.2360 2.7699 0.1622 C.3 1 UNL1 -0.4783 13 C -2.5308 -0.1702 0.0041 C.ar 1 UNL1 0.3389 14 C -2.3432 2.6044 0.2245 C.ar 1 UNL1 -0.3009 15 C -3.6931 0.6010 0.1807 C.ar 1 UNL1 -0.2715 16 C -3.5747 1.9995 0.2984 C.ar 1 UNL1 -0.0122 17 C 3.3806 -0.3719 0.6660 C.2 1 UNL1 0.6071 18 C -4.9625 -0.0635 0.2458 C.ar 1 UNL1 0.0385 19 C -3.8197 -2.1905 -0.0485 C.ar 1 UNL1 0.6032 20 C -5.0214 -1.4062 0.1367 C.ar 1 UNL1 -0.3773 21 C 4.5216 -1.0507 0.0146 C.2 1 UNL1 -0.1198 22 C 5.7426 -0.2059 -0.0765 C.3 1 UNL1 -0.4322 23 C 4.4502 -2.3234 -0.3918 C.2 1 UNL1 -0.0677 24 C 3.2387 -3.1755 -0.2829 C.3 1 UNL1 -0.4550 25 H 1.1962 0.5611 1.3602 H 1 UNL1 0.1708 26 H -0.0657 -1.3352 0.3663 H 1 UNL1 0.1765 27 H 0.1288 -0.7197 -1.2698 H 1 UNL1 0.1739 28 H 2.0417 1.2601 -2.3039 H 1 UNL1 0.1696 29 H 0.2794 1.3494 -2.3465 H 1 UNL1 0.1647 30 H 1.2271 2.8412 -2.3566 H 1 UNL1 0.1597 31 H 2.1524 2.8545 1.2548 H 1 UNL1 0.1716 32 H 3.2307 2.3808 -0.0638 H 1 UNL1 0.1621 33 H 2.1683 3.7881 -0.2441 H 1 UNL1 0.1628 34 H -2.2230 3.6800 0.3055 H 1 UNL1 0.1801 35 H -4.4759 2.5962 0.4471 H 1 UNL1 0.1533 36 H -5.8589 0.5463 0.3985 H 1 UNL1 0.1568 37 H -5.9451 -1.9708 0.1806 H 1 UNL1 0.1907 38 H 6.6119 -0.7606 -0.4566 H 1 UNL1 0.1574 39 H 5.5902 0.6538 -0.7456 H 1 UNL1 0.1593 40 H 6.0266 0.1944 0.9120 H 1 UNL1 0.1713 41 H 5.3169 -2.8185 -0.8367 H 1 UNL1 0.1496 42 H 2.9236 -3.5457 -1.2715 H 1 UNL1 0.1665 43 H 2.3683 -2.6507 0.1458 H 1 UNL1 0.1693 44 H 3.4255 -4.0574 0.3486 H 1 UNL1 0.1633 @BOND 1 30 11 1 2 29 11 1 3 28 11 1 4 11 6 1 5 42 24 1 6 27 8 1 7 41 23 1 8 39 22 1 9 38 22 1 10 6 1 1 11 6 12 1 12 6 7 1 13 23 24 1 14 23 21 2 15 24 43 1 16 24 44 1 17 33 12 1 18 2 7 1 19 2 17 1 20 8 9 1 21 8 7 1 22 8 26 1 23 5 19 2 24 3 19 ar 25 3 13 ar 26 22 21 1 27 22 40 1 28 9 13 ar 29 9 10 ar 30 32 12 1 31 19 20 ar 32 1 10 1 33 13 15 ar 34 21 17 1 35 10 14 ar 36 20 37 1 37 20 18 ar 38 12 31 1 39 15 18 ar 40 15 16 ar 41 14 16 ar 42 14 34 1 43 18 36 1 44 7 25 1 45 16 35 1 46 17 4 2