@MOLECULE 8-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-5,7-dimethoxy-2h-chromen-2-one 52 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2244 0.9943 0.4740 O.3 1 UNL1 -0.2656 2 O 2.3277 1.9012 0.4368 O.2 1 UNL1 -0.3273 3 O -0.7364 -1.5934 0.0292 O.3 1 UNL1 -0.2335 4 O 3.9789 -2.5396 -0.1974 O.3 1 UNL1 -0.3619 5 O 3.6465 3.6300 0.6319 O.2 1 UNL1 -0.4131 6 C -4.5654 2.0514 -0.7604 C.3 1 UNL1 -0.2851 7 C -3.1819 1.6331 -1.1690 C.2 1 UNL1 0.0657 8 C -5.3478 0.8462 -0.1997 C.3 1 UNL1 -0.2561 9 C 0.8052 0.1339 0.2324 C.ar 1 UNL1 -0.0480 10 C 2.1375 0.5822 0.2745 C.ar 1 UNL1 0.3054 11 C 3.2191 -0.3093 0.1352 C.ar 1 UNL1 -0.3202 12 C -2.1174 1.9788 -0.4323 C.2 1 UNL1 -0.2474 13 C -0.7112 1.5992 -0.7477 C.3 1 UNL1 -0.0531 14 C 0.5649 -1.2399 0.0382 C.ar 1 UNL1 0.2746 15 C 2.9263 -1.6613 -0.1037 C.ar 1 UNL1 0.3344 16 C -4.6257 0.2644 0.9709 C.2 1 UNL1 -0.2106 17 C -3.0903 0.8031 -2.4076 C.3 1 UNL1 -0.4595 18 C 1.6292 -2.1383 -0.1553 C.ar 1 UNL1 -0.4177 19 C -4.3309 -1.0309 1.1378 C.2 1 UNL1 0.0388 20 C 4.5527 0.1949 0.2660 C.ar 1 UNL1 0.0557 21 C 4.7505 1.5164 0.4605 C.ar 1 UNL1 -0.3815 22 C 3.6360 2.4364 0.5215 C.ar 1 UNL1 0.5966 23 C -3.5221 -1.4829 2.3124 C.3 1 UNL1 -0.4564 24 C -4.7193 -2.1170 0.1885 C.3 1 UNL1 -0.4526 25 C -1.0012 -2.9911 -0.0990 C.3 1 UNL1 -0.2310 26 C 4.3403 -2.8140 -1.5497 C.3 1 UNL1 -0.1828 27 H -4.5297 2.8562 0.0014 H 1 UNL1 0.1493 28 H -5.1097 2.4849 -1.6218 H 1 UNL1 0.1421 29 H -5.5002 0.1003 -1.0043 H 1 UNL1 0.1388 30 H -6.3627 1.1695 0.1092 H 1 UNL1 0.1417 31 H -2.2205 2.5532 0.4879 H 1 UNL1 0.1660 32 H -0.0736 2.4842 -0.9411 H 1 UNL1 0.1427 33 H -0.6202 0.8915 -1.5875 H 1 UNL1 0.1239 34 H -4.3111 1.0054 1.7057 H 1 UNL1 0.1531 35 H -4.0122 0.8220 -3.0013 H 1 UNL1 0.1491 36 H -2.2777 1.1336 -3.0675 H 1 UNL1 0.1539 37 H -2.8971 -0.2478 -2.1444 H 1 UNL1 0.1601 38 H 1.4601 -3.1945 -0.3262 H 1 UNL1 0.1844 39 H 5.3775 -0.5205 0.2182 H 1 UNL1 0.1662 40 H 5.7360 1.9598 0.5810 H 1 UNL1 0.1906 41 H -4.0014 -2.3090 2.8513 H 1 UNL1 0.1480 42 H -2.5260 -1.8197 1.9845 H 1 UNL1 0.1615 43 H -3.3483 -0.6763 3.0384 H 1 UNL1 0.1575 44 H -3.8935 -2.3428 -0.5008 H 1 UNL1 0.1472 45 H -4.9777 -3.0447 0.7148 H 1 UNL1 0.1498 46 H -5.5900 -1.8485 -0.4236 H 1 UNL1 0.1507 47 H -2.0932 -3.0287 0.0209 H 1 UNL1 0.1609 48 H -0.5165 -3.5649 0.6972 H 1 UNL1 0.1443 49 H -0.7118 -3.3538 -1.0892 H 1 UNL1 0.1360 50 H 5.1549 -3.5390 -1.4352 H 1 UNL1 0.1499 51 H 4.6955 -1.9000 -2.0413 H 1 UNL1 0.1337 52 H 3.5041 -3.2556 -2.0981 H 1 UNL1 0.1308 @BOND 1 36 17 1 2 35 17 1 3 17 37 1 4 17 7 1 5 52 26 1 6 51 26 1 7 28 6 1 8 33 13 1 9 26 50 1 10 26 4 1 11 7 6 1 12 7 12 2 13 49 25 1 14 29 8 1 15 32 13 1 16 6 8 1 17 6 27 1 18 13 12 1 19 13 1 1 20 44 24 1 21 12 31 1 22 46 24 1 23 38 18 1 24 8 30 1 25 8 16 1 26 4 15 1 27 18 15 ar 28 18 14 ar 29 15 11 ar 30 25 47 1 31 25 3 1 32 25 48 1 33 3 14 1 34 14 9 ar 35 11 20 ar 36 11 10 ar 37 24 45 1 38 24 19 1 39 39 20 1 40 9 10 ar 41 9 1 1 42 20 21 ar 43 10 2 ar 44 2 22 ar 45 21 22 ar 46 21 40 1 47 22 5 2 48 16 19 2 49 16 34 1 50 19 23 1 51 42 23 1 52 23 41 1 53 23 43 1