@MOLECULE 8-{[(2e)-3,7-dimethyl-2-octen-1-yl]oxy}-7-hydroxy-2h-chromen-2-one 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0233 1.6525 0.5826 O.3 1 UNL11111111111 -0.2783 2 O -0.8700 -0.9516 -0.2726 O.2 1 UNL11111111111 -0.3334 3 O -3.4036 2.7969 0.8904 O.3 1 UNL11111111111 -0.4101 4 O 0.4203 -2.5949 -0.8770 O.2 1 UNL11111111111 -0.4166 5 C 3.6727 0.0679 0.9510 C.3 1 UNL11111111111 -0.2916 6 C 4.2841 -1.3451 0.9166 C.3 1 UNL11111111111 -0.0568 7 C 4.3549 1.0098 -0.0482 C.3 1 UNL11111111111 -0.2570 8 C 3.6107 2.3544 -0.1453 C.3 1 UNL11111111111 -0.2917 9 C 3.8707 -2.0887 -0.3585 C.3 1 UNL11111111111 -0.4600 10 C 3.8134 -2.1336 2.1474 C.3 1 UNL11111111111 -0.4546 11 C 2.2634 2.1551 -0.7734 C.2 1 UNL11111111111 0.0512 12 C 1.1516 2.1398 -0.0277 C.2 1 UNL11111111111 -0.2489 13 C 2.2425 1.9400 -2.2503 C.3 1 UNL11111111111 -0.4579 14 C -0.2069 1.8901 -0.5847 C.3 1 UNL11111111111 -0.0444 15 C -2.1361 0.9144 0.3378 C.ar 1 UNL11111111111 0.0093 16 C -2.0922 -0.4496 -0.0082 C.ar 1 UNL11111111111 0.2604 17 C -3.2631 -1.2247 -0.0842 C.ar 1 UNL11111111111 -0.2380 18 C -3.3927 1.4814 0.5862 C.ar 1 UNL11111111111 0.2805 19 C -4.5011 -0.6214 0.1911 C.ar 1 UNL11111111111 -0.0250 20 C -4.5738 0.7182 0.5222 C.ar 1 UNL11111111111 -0.3355 21 C -3.1275 -2.6136 -0.4320 C.ar 1 UNL11111111111 0.0220 22 C -1.9088 -3.1271 -0.6944 C.ar 1 UNL11111111111 -0.3576 23 C -0.7184 -2.3009 -0.6406 C.ar 1 UNL11111111111 0.5954 24 H 3.7468 0.4878 1.9703 H 1 UNL11111111111 0.1335 25 H 2.5870 0.0054 0.7328 H 1 UNL11111111111 0.1587 26 H 5.3958 -1.2621 0.9454 H 1 UNL11111111111 0.1211 27 H 4.3981 0.5364 -1.0471 H 1 UNL11111111111 0.1407 28 H 5.4033 1.1857 0.2533 H 1 UNL11111111111 0.1292 29 H 4.2100 3.0751 -0.7351 H 1 UNL11111111111 0.1410 30 H 3.5214 2.8048 0.8633 H 1 UNL11111111111 0.1463 31 H 4.2246 -1.5780 -1.2583 H 1 UNL11111111111 0.1358 32 H 2.7763 -2.1633 -0.4386 H 1 UNL11111111111 0.1668 33 H 4.2676 -3.1078 -0.3744 H 1 UNL11111111111 0.1377 34 H 4.2223 -3.1485 2.1473 H 1 UNL11111111111 0.1385 35 H 2.7205 -2.2206 2.1641 H 1 UNL11111111111 0.1501 36 H 4.1237 -1.6484 3.0774 H 1 UNL11111111111 0.1365 37 H 1.1728 2.2875 1.0526 H 1 UNL11111111111 0.1719 38 H 1.5706 2.6476 -2.7538 H 1 UNL11111111111 0.1515 39 H 1.8927 0.9231 -2.4915 H 1 UNL11111111111 0.1640 40 H 3.2328 2.0509 -2.7095 H 1 UNL11111111111 0.1516 41 H -0.6310 2.7780 -1.0909 H 1 UNL11111111111 0.1341 42 H -0.2272 1.0255 -1.2723 H 1 UNL11111111111 0.1418 43 H -5.4104 -1.2220 0.1401 H 1 UNL11111111111 0.1545 44 H -5.5310 1.1851 0.7318 H 1 UNL11111111111 0.1667 45 H -4.0322 -3.2246 -0.4731 H 1 UNL11111111111 0.1564 46 H -1.7458 -4.1705 -0.9597 H 1 UNL11111111111 0.1902 47 H -4.3195 3.1180 1.0994 H 1 UNL11111111111 0.3198 @BOND 1 1 14 1 2 1 15 1 3 2 16 ar 4 2 23 ar 5 3 18 1 6 3 47 1 7 4 23 2 8 5 6 1 9 5 7 1 10 5 24 1 11 5 25 1 12 6 9 1 13 6 10 1 14 6 26 1 15 7 8 1 16 7 27 1 17 7 28 1 18 8 11 1 19 8 29 1 20 8 30 1 21 9 31 1 22 9 32 1 23 9 33 1 24 10 34 1 25 10 35 1 26 10 36 1 27 11 12 2 28 11 13 1 29 12 14 1 30 12 37 1 31 13 38 1 32 13 39 1 33 13 40 1 34 14 41 1 35 14 42 1 36 15 16 ar 37 15 18 ar 38 16 17 ar 39 17 19 ar 40 17 21 ar 41 18 20 ar 42 19 20 ar 43 19 43 1 44 20 44 1 45 21 22 ar 46 21 45 1 47 22 23 ar 48 22 46 1