@MOLECULE 1-(2,4-dihydroxyphenyl)-3-{2-[(2e)-3,7-dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl}-1-propanone 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.4029 -1.6192 1.1451 O.3 1 UNL1111111111 -0.4550 2 O 6.2352 -0.4734 -0.4816 O.3 1 UNL1111111111 -0.4946 3 O -1.9495 1.4269 -2.5364 O.2 1 UNL1111111111 -0.5470 4 O -3.9579 0.1936 -1.4907 O.3 1 UNL1111111111 -0.4785 5 O -3.1561 -4.1258 0.2143 O.3 1 UNL1111111111 -0.4611 6 C 2.2622 0.6785 -0.6768 C.ar 1 UNL1111111111 -0.0044 7 C 2.6723 -0.3007 0.2400 C.ar 1 UNL1111111111 -0.0448 8 C 0.8272 1.0884 -0.8024 C.3 1 UNL1111111111 -0.2714 9 C 1.7346 -0.9833 1.1881 C.3 1 UNL1111111111 -0.2590 10 C 0.2949 0.7880 -2.2132 C.3 1 UNL1111111111 -0.3606 11 C -0.1088 -0.2268 2.6992 C.2 1 UNL1111111111 0.0345 12 C 1.0759 -0.0098 2.1124 C.2 1 UNL1111111111 -0.2194 13 C 4.0260 -0.6525 0.2676 C.ar 1 UNL1111111111 0.1760 14 C -0.7427 0.8184 3.5683 C.3 1 UNL1111111111 -0.2867 15 C 3.1942 1.3056 -1.5082 C.ar 1 UNL1111111111 -0.1671 16 C -1.8646 1.5348 2.7936 C.3 1 UNL1111111111 -0.2518 17 C 4.9486 -0.0288 -0.5887 C.ar 1 UNL1111111111 0.1319 18 C 4.5434 0.9594 -1.4748 C.ar 1 UNL1111111111 -0.2399 19 C -1.1919 0.5549 -2.1346 C.2 1 UNL1111111111 0.5384 20 C -0.8915 -1.4826 2.5141 C.3 1 UNL1111111111 -0.4589 21 C -1.7109 -0.6791 -1.5523 C.ar 1 UNL1111111111 -0.4173 22 C -1.3328 2.4264 1.7203 C.2 1 UNL1111111111 -0.2362 23 C -2.0951 2.9449 0.7477 C.2 1 UNL1111111111 0.0431 24 C -3.0849 -0.7818 -1.2371 C.ar 1 UNL1111111111 0.4523 25 C -0.8833 -1.7816 -1.2793 C.ar 1 UNL1111111111 0.0448 26 C -3.6198 -1.9254 -0.6213 C.ar 1 UNL1111111111 -0.4627 27 C -1.3802 -2.9293 -0.6958 C.ar 1 UNL1111111111 -0.3513 28 C -1.5272 3.8562 -0.2890 C.3 1 UNL1111111111 -0.4637 29 C -3.5543 2.6580 0.6258 C.3 1 UNL1111111111 -0.4585 30 C -2.7514 -2.9778 -0.3686 C.ar 1 UNL1111111111 0.3984 31 H 0.7163 2.1712 -0.5746 H 1 UNL1111111111 0.1634 32 H 0.1895 0.5932 -0.0346 H 1 UNL1111111111 0.1807 33 H 0.9820 -1.5687 0.6134 H 1 UNL1111111111 0.1576 34 H 2.2710 -1.7493 1.8001 H 1 UNL1111111111 0.1765 35 H 0.8147 -0.0829 -2.6585 H 1 UNL1111111111 0.1712 36 H 0.5107 1.6373 -2.8948 H 1 UNL1111111111 0.1725 37 H 1.6355 0.9075 2.2827 H 1 UNL1111111111 0.1537 38 H 0.0020 1.5579 3.9230 H 1 UNL1111111111 0.1466 39 H -1.1547 0.3586 4.4882 H 1 UNL1111111111 0.1415 40 H 2.8627 2.0806 -2.1980 H 1 UNL1111111111 0.1575 41 H -2.5577 0.7800 2.3657 H 1 UNL1111111111 0.1467 42 H -2.4779 2.1337 3.4995 H 1 UNL1111111111 0.1423 43 H 5.2570 1.4502 -2.1283 H 1 UNL1111111111 0.1573 44 H -1.7823 -1.5285 3.1520 H 1 UNL1111111111 0.1485 45 H -0.2872 -2.3723 2.7407 H 1 UNL1111111111 0.1561 46 H -1.2395 -1.5812 1.4735 H 1 UNL1111111111 0.1627 47 H -0.2698 2.6443 1.7837 H 1 UNL1111111111 0.1504 48 H 5.3851 -1.7642 1.1072 H 1 UNL1111111111 0.3415 49 H 0.1814 -1.7293 -1.5354 H 1 UNL1111111111 0.1632 50 H 6.8538 0.0723 -1.0222 H 1 UNL1111111111 0.3375 51 H -4.6748 -1.9606 -0.3788 H 1 UNL1111111111 0.1898 52 H -0.7507 -3.7892 -0.4878 H 1 UNL1111111111 0.1854 53 H -2.0834 4.8027 -0.3338 H 1 UNL1111111111 0.1544 54 H -0.4757 4.1097 -0.1089 H 1 UNL1111111111 0.1457 55 H -1.5909 3.3990 -1.2913 H 1 UNL1111111111 0.1743 56 H -4.0097 3.1331 -0.2524 H 1 UNL1111111111 0.1530 57 H -4.1056 3.0110 1.5086 H 1 UNL1111111111 0.1542 58 H -3.7462 1.5769 0.5367 H 1 UNL1111111111 0.1618 59 H -3.5029 0.9791 -1.9732 H 1 UNL1111111111 0.3891 60 H -4.1250 -4.1287 0.4217 H 1 UNL1111111111 0.3354 @BOND 1 1 13 1 2 1 48 1 3 2 17 1 4 2 50 1 5 3 19 2 6 4 24 1 7 4 59 1 8 5 30 1 9 5 60 1 10 6 7 ar 11 6 8 1 12 6 15 ar 13 7 9 1 14 7 13 ar 15 8 10 1 16 8 31 1 17 8 32 1 18 9 12 1 19 9 33 1 20 9 34 1 21 10 19 1 22 10 35 1 23 10 36 1 24 11 12 2 25 11 14 1 26 11 20 1 27 12 37 1 28 13 17 ar 29 14 16 1 30 14 38 1 31 14 39 1 32 15 18 ar 33 15 40 1 34 16 22 1 35 16 41 1 36 16 42 1 37 17 18 ar 38 18 43 1 39 19 21 1 40 20 44 1 41 20 45 1 42 20 46 1 43 21 24 ar 44 21 25 ar 45 22 23 2 46 22 47 1 47 23 28 1 48 23 29 1 49 24 26 ar 50 25 27 ar 51 25 49 1 52 26 30 ar 53 26 51 1 54 27 30 ar 55 27 52 1 56 28 53 1 57 28 54 1 58 28 55 1 59 29 56 1 60 29 57 1 61 29 58 1