@MOLECULE 5-hydroxy-2,2-dimethyl-6-(2-methyl-3-buten-2-yl)-2h,8h-pyrano[2,3-f]chromen-8-one 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6783 -0.8786 -0.0934 O.3 1 UNL1 -0.3572 2 O 2.0054 -1.2271 0.0774 O.2 1 UNL1 -0.3422 3 O 0.0975 3.0325 0.0713 O.3 1 UNL1 -0.4323 4 O 3.0427 -3.1384 0.1406 O.2 1 UNL1 -0.4165 5 C 2.5029 1.4427 0.1070 C.3 1 UNL1 0.1493 6 C 1.0858 0.9125 0.0424 C.ar 1 UNL1 -0.2888 7 C -3.9317 -0.1423 -0.0344 C.3 1 UNL1 0.3305 8 C -1.3736 1.1484 -0.0291 C.ar 1 UNL1 -0.3896 9 C -1.5080 -0.2436 -0.0415 C.ar 1 UNL1 0.4147 10 C 0.8895 -0.4846 0.0342 C.ar 1 UNL1 0.3881 11 C -0.0695 1.6958 0.0270 C.ar 1 UNL1 0.4043 12 C -0.3804 -1.0932 -0.0115 C.ar 1 UNL1 -0.3710 13 C 2.6165 2.9434 -0.2190 C.3 1 UNL1 -0.4471 14 C 3.0222 1.2036 1.5371 C.3 1 UNL1 -0.4545 15 C -3.7799 1.3410 -0.1053 C.2 1 UNL1 -0.2773 16 C -2.5798 1.9372 -0.0933 C.2 1 UNL1 -0.0583 17 C 3.3282 0.7336 -0.9468 C.2 1 UNL1 -0.1266 18 C -4.6976 -0.6882 -1.2400 C.3 1 UNL1 -0.4845 19 C -4.5422 -0.5706 1.3008 C.3 1 UNL1 -0.4883 20 C -0.4728 -2.5202 -0.0230 C.ar 1 UNL1 0.0777 21 C 0.6523 -3.2667 0.0191 C.ar 1 UNL1 -0.3937 22 C 1.9533 -2.6430 0.0814 C.ar 1 UNL1 0.6016 23 C 4.5873 0.3298 -0.7896 C.2 1 UNL1 -0.3218 24 H 2.1819 3.5623 0.5742 H 1 UNL1 0.1541 25 H 3.6670 3.2384 -0.3212 H 1 UNL1 0.1439 26 H 2.1109 3.1912 -1.1584 H 1 UNL1 0.1504 27 H 2.3355 1.6229 2.2790 H 1 UNL1 0.1445 28 H 4.0015 1.6675 1.6892 H 1 UNL1 0.1453 29 H 3.1279 0.1312 1.7447 H 1 UNL1 0.1599 30 H -4.7119 1.8945 -0.1608 H 1 UNL1 0.1633 31 H -2.4870 3.0229 -0.1426 H 1 UNL1 0.1381 32 H 2.8020 0.5955 -1.8920 H 1 UNL1 0.1406 33 H -5.7399 -0.3537 -1.2365 H 1 UNL1 0.1583 34 H -4.2389 -0.3586 -2.1816 H 1 UNL1 0.1660 35 H -4.6953 -1.7860 -1.2475 H 1 UNL1 0.1654 36 H -3.9586 -0.1802 2.1450 H 1 UNL1 0.1661 37 H -5.5694 -0.2075 1.4065 H 1 UNL1 0.1582 38 H -4.5583 -1.6638 1.3973 H 1 UNL1 0.1647 39 H -1.4685 -2.9722 -0.0671 H 1 UNL1 0.1641 40 H 0.6472 -4.3541 0.0123 H 1 UNL1 0.1902 41 H -0.7641 3.5282 0.0750 H 1 UNL1 0.3234 42 H 5.1507 -0.1583 -1.5696 H 1 UNL1 0.1418 43 H 5.1495 0.4306 0.1240 H 1 UNL1 0.1452 @BOND 1 34 18 1 2 32 17 1 3 42 23 1 4 35 18 1 5 18 33 1 6 18 7 1 7 26 13 1 8 17 23 2 9 17 5 1 10 23 43 1 11 25 13 1 12 13 5 1 13 13 24 1 14 30 15 1 15 31 16 1 16 15 16 2 17 15 7 1 18 1 9 1 19 1 7 1 20 16 8 1 21 39 20 1 22 9 8 ar 23 9 12 ar 24 7 19 1 25 8 11 ar 26 20 12 ar 27 20 21 ar 28 12 10 ar 29 40 21 1 30 21 22 ar 31 11 6 ar 32 11 3 1 33 10 6 ar 34 10 2 ar 35 6 5 1 36 3 41 1 37 2 22 ar 38 22 4 2 39 5 14 1 40 19 38 1 41 19 37 1 42 19 36 1 43 14 28 1 44 14 29 1 45 14 27 1