@MOLECULE 5-hydroxy-6-methoxy-7-(3-methyl-but-2-enyloxy)-1-benzopyran-2-one 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7627 0.2395 0.6697 O.3 1 UNL1 -0.2787 2 O 2.7119 1.6517 0.0429 O.2 1 UNL1 -0.3645 3 O -1.0153 -2.3264 0.6207 O.3 1 UNL1 -0.2473 4 O 1.4676 -3.0055 -0.1103 O.3 1 UNL1 -0.4067 5 O 4.7460 2.4043 -0.1125 O.2 1 UNL1 -0.4147 6 C 2.2157 -0.7023 -0.0677 C.ar 1 UNL1 -0.3879 7 C 1.8273 0.6416 0.1023 C.ar 1 UNL1 0.4011 8 C -0.4585 0.0337 0.4539 C.ar 1 UNL1 0.3162 9 C -0.1101 -1.3409 0.3398 C.ar 1 UNL1 -0.0822 10 C 1.2077 -1.6911 0.0526 C.ar 1 UNL1 0.3369 11 C 0.5064 1.0310 0.3378 C.ar 1 UNL1 -0.4551 12 C 3.5882 -0.9711 -0.3648 C.ar 1 UNL1 0.0501 13 C -2.2655 1.5932 0.5523 C.3 1 UNL1 -0.0360 14 C -3.7307 1.3657 0.6855 C.2 1 UNL1 -0.2904 15 C 4.4874 0.0365 -0.4086 C.ar 1 UNL1 -0.3762 16 C -4.5455 0.9854 -0.3090 C.2 1 UNL1 0.1283 17 C 4.0855 1.4052 -0.1620 C.ar 1 UNL1 0.6035 18 C -5.9760 0.6539 -0.0287 C.3 1 UNL1 -0.4705 19 C -4.1527 0.8586 -1.7408 C.3 1 UNL1 -0.4701 20 C -2.0267 -2.4456 -0.3816 C.3 1 UNL1 -0.2262 21 H 0.2791 2.0864 0.4470 H 1 UNL1 0.1982 22 H 3.8924 -2.0026 -0.5667 H 1 UNL1 0.1420 23 H -1.8468 2.2049 1.3723 H 1 UNL1 0.1408 24 H -1.9543 2.0141 -0.4205 H 1 UNL1 0.1363 25 H -4.1026 1.4519 1.7057 H 1 UNL1 0.1613 26 H 5.5430 -0.1126 -0.6301 H 1 UNL1 0.1911 27 H 2.4396 -3.1725 -0.2622 H 1 UNL1 0.3187 28 H -6.6592 1.3278 -0.5634 H 1 UNL1 0.1603 29 H -6.2102 -0.3721 -0.3504 H 1 UNL1 0.1627 30 H -6.2282 0.7146 1.0399 H 1 UNL1 0.1595 31 H -4.5534 1.6980 -2.3310 H 1 UNL1 0.1633 32 H -3.0649 0.8481 -1.8883 H 1 UNL1 0.1629 33 H -4.5419 -0.0643 -2.1948 H 1 UNL1 0.1603 34 H -2.6868 -3.2141 0.0353 H 1 UNL1 0.1456 35 H -1.5852 -2.7721 -1.3272 H 1 UNL1 0.1294 36 H -2.5820 -1.5097 -0.5038 H 1 UNL1 0.1378 @BOND 1 31 19 1 2 33 19 1 3 32 19 1 4 19 16 1 5 35 20 1 6 26 15 1 7 22 12 1 8 28 18 1 9 36 20 1 10 24 13 1 11 15 12 ar 12 15 17 ar 13 20 34 1 14 20 3 1 15 12 6 ar 16 29 18 1 17 16 18 1 18 16 14 2 19 27 4 1 20 17 5 2 21 17 2 ar 22 4 10 1 23 6 10 ar 24 6 7 ar 25 18 30 1 26 2 7 ar 27 10 9 ar 28 7 11 ar 29 11 21 1 30 11 8 ar 31 9 8 ar 32 9 3 1 33 8 1 1 34 13 1 1 35 13 14 1 36 13 23 1 37 14 25 1