@MOLECULE xanthohumol 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1402 2.5602 -1.4914 O.3 1 UNL1111111111 -0.3552 2 O 2.2191 0.3427 2.2514 O.3 1 UNL1111111111 -0.4788 3 O 4.1378 0.2694 -2.0789 O.3 1 UNL1111111111 -0.4546 4 O -0.0579 1.7161 2.4769 O.2 1 UNL1111111111 -0.5252 5 O -6.7917 -1.7248 -1.2615 O.3 1 UNL1111111111 -0.4698 6 C 3.2107 0.2409 0.1484 C.ar 1 UNL1111111111 -0.2932 7 C 4.3158 -0.5838 0.7252 C.3 1 UNL1111111111 -0.2270 8 C 2.1484 0.6788 0.9524 C.ar 1 UNL1111111111 0.4165 9 C 1.0462 1.3930 0.4342 C.ar 1 UNL1111111111 -0.4755 10 C 3.1838 0.6227 -1.1978 C.ar 1 UNL1111111111 0.3949 11 C 1.1288 1.8165 -0.9031 C.ar 1 UNL1111111111 0.3744 12 C 2.1759 1.4433 -1.7314 C.ar 1 UNL1111111111 -0.4008 13 C 4.4790 -1.9064 0.0414 C.2 1 UNL1111111111 -0.2887 14 C -0.1465 1.5297 1.2730 C.2 1 UNL1111111111 0.5395 15 C 3.5100 -2.8257 -0.0816 C.2 1 UNL1111111111 0.1051 16 C -1.4440 1.2339 0.6399 C.2 1 UNL1111111111 -0.2975 17 C 2.1244 -2.6457 0.4365 C.3 1 UNL1111111111 -0.4645 18 C 3.7622 -4.1232 -0.7790 C.3 1 UNL1111111111 -0.4685 19 C -2.2871 0.3908 1.2527 C.2 1 UNL1111111111 -0.0514 20 C -3.4891 -0.1466 0.6248 C.ar 1 UNL1111111111 -0.1071 21 C -0.0286 3.8543 -0.9150 C.3 1 UNL1111111111 -0.1858 22 C -4.3441 0.6609 -0.1369 C.ar 1 UNL1111111111 -0.0660 23 C -3.7616 -1.5118 0.7711 C.ar 1 UNL1111111111 -0.0629 24 C -5.4578 0.1152 -0.7592 C.ar 1 UNL1111111111 -0.2507 25 C -4.8650 -2.0832 0.1469 C.ar 1 UNL1111111111 -0.3139 26 C -5.6955 -1.2566 -0.6131 C.ar 1 UNL1111111111 0.3002 27 H 5.2652 -0.0046 0.6993 H 1 UNL1111111111 0.1442 28 H 4.1403 -0.7626 1.8158 H 1 UNL1111111111 0.1786 29 H 2.2206 1.7640 -2.7686 H 1 UNL1111111111 0.2010 30 H 5.4815 -2.1031 -0.3300 H 1 UNL1111111111 0.1411 31 H -1.6194 1.6397 -0.3556 H 1 UNL1111111111 0.1901 32 H 1.5163 -2.0620 -0.2730 H 1 UNL1111111111 0.1677 33 H 1.6067 -3.5971 0.6056 H 1 UNL1111111111 0.1491 34 H 2.1124 -2.0928 1.3902 H 1 UNL1111111111 0.1717 35 H 4.7615 -4.1835 -1.2282 H 1 UNL1111111111 0.1513 36 H 3.6710 -4.9690 -0.0820 H 1 UNL1111111111 0.1593 37 H 3.0337 -4.2870 -1.5864 H 1 UNL1111111111 0.1599 38 H 1.4961 0.7984 2.7921 H 1 UNL1111111111 0.3763 39 H 4.7875 -0.3837 -1.6993 H 1 UNL1111111111 0.3461 40 H -2.0747 0.0160 2.2631 H 1 UNL1111111111 0.1650 41 H 0.8851 4.4448 -1.0428 H 1 UNL1111111111 0.1363 42 H -0.3078 3.7950 0.1414 H 1 UNL1111111111 0.1369 43 H -0.8477 4.2724 -1.5140 H 1 UNL1111111111 0.1507 44 H -4.1326 1.7268 -0.2373 H 1 UNL1111111111 0.1585 45 H -3.0980 -2.1370 1.3705 H 1 UNL1111111111 0.1550 46 H -6.1373 0.7218 -1.3526 H 1 UNL1111111111 0.1772 47 H -5.0727 -3.1426 0.2477 H 1 UNL1111111111 0.1618 48 H -6.9157 -2.6966 -1.1378 H 1 UNL1111111111 0.3285 @BOND 1 1 11 1 2 1 21 1 3 2 8 1 4 2 38 1 5 3 10 1 6 3 39 1 7 4 14 2 8 5 26 1 9 5 48 1 10 6 7 1 11 6 8 ar 12 6 10 ar 13 7 13 1 14 7 27 1 15 7 28 1 16 8 9 ar 17 9 11 ar 18 9 14 1 19 10 12 ar 20 11 12 ar 21 12 29 1 22 13 15 2 23 13 30 1 24 14 16 1 25 15 17 1 26 15 18 1 27 16 19 2 28 16 31 1 29 17 32 1 30 17 33 1 31 17 34 1 32 18 35 1 33 18 36 1 34 18 37 1 35 19 20 1 36 19 40 1 37 20 22 ar 38 20 23 ar 39 21 41 1 40 21 42 1 41 21 43 1 42 22 24 ar 43 22 44 1 44 23 25 ar 45 23 45 1 46 24 26 ar 47 24 46 1 48 25 26 ar 49 25 47 1