@MOLECULE 4-{(e)-2-[(2s)-5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-2h-chromen-7-yl]vinyl}-1,2-benzenediol 54 56 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.0580 0.7602 1.5978 O.3 1 UNL111111111 -0.3534 2 O 2.0407 2.3609 -2.8636 O.3 1 UNL111111111 -0.4684 3 O -7.3041 0.3716 1.7449 O.3 1 UNL111111111 -0.4477 4 O -8.1592 -1.3714 -0.1673 O.3 1 UNL111111111 -0.4898 5 C 3.4931 0.9066 1.7275 C.3 1 UNL111111111 0.3015 6 C 4.0502 -0.5291 1.7802 C.3 1 UNL111111111 -0.3103 7 C 4.1414 1.6998 0.6380 C.2 1 UNL111111111 -0.2810 8 C 3.6216 1.6175 3.0784 C.3 1 UNL111111111 -0.4818 9 C 3.6208 -1.3490 0.5537 C.3 1 UNL111111111 -0.2637 10 C 1.4640 0.9924 0.4189 C.ar 1 UNL111111111 0.3466 11 C 2.1197 1.6050 -0.6609 C.ar 1 UNL111111111 -0.2839 12 C 3.4937 2.0161 -0.4917 C.2 1 UNL111111111 -0.0568 13 C 4.5252 -2.5245 0.3844 C.2 1 UNL111111111 -0.2333 14 C 0.1204 0.5945 0.3480 C.ar 1 UNL111111111 -0.3501 15 C 1.3738 1.7853 -1.8332 C.ar 1 UNL111111111 0.3633 16 C -0.5849 0.7973 -0.8353 C.ar 1 UNL111111111 0.1549 17 C 0.0417 1.3917 -1.9421 C.ar 1 UNL111111111 -0.4079 18 C 5.5832 -2.5417 -0.4376 C.2 1 UNL111111111 0.0548 19 C -1.9780 0.3718 -0.9591 C.2 1 UNL111111111 -0.1766 20 C 5.9775 -1.3805 -1.2899 C.3 1 UNL111111111 -0.4557 21 C 6.4512 -3.7517 -0.5639 C.3 1 UNL111111111 -0.4586 22 C -2.7986 0.2287 0.0933 C.2 1 UNL111111111 -0.1183 23 C -4.1880 -0.2063 -0.0175 C.ar 1 UNL111111111 -0.0069 24 C -5.1178 0.2807 0.9122 C.ar 1 UNL111111111 -0.2067 25 C -4.5915 -1.1003 -1.0118 C.ar 1 UNL111111111 -0.1545 26 C -6.4425 -0.1285 0.8250 C.ar 1 UNL111111111 0.2064 27 C -5.9212 -1.5159 -1.1027 C.ar 1 UNL111111111 -0.2308 28 C -6.8398 -1.0280 -0.1848 C.ar 1 UNL111111111 0.1378 29 H 5.1540 -0.4900 1.8451 H 1 UNL111111111 0.1528 30 H 3.7054 -1.0350 2.7011 H 1 UNL111111111 0.1514 31 H 5.1709 1.9838 0.8265 H 1 UNL111111111 0.1618 32 H 2.9999 1.1299 3.8405 H 1 UNL111111111 0.1633 33 H 4.6565 1.6187 3.4325 H 1 UNL111111111 0.1553 34 H 3.2825 2.6588 3.0073 H 1 UNL111111111 0.1633 35 H 3.6167 -0.7104 -0.3546 H 1 UNL111111111 0.1557 36 H 2.5678 -1.6787 0.6711 H 1 UNL111111111 0.1497 37 H 3.9538 2.5822 -1.3027 H 1 UNL111111111 0.1660 38 H 4.2669 -3.3858 0.9947 H 1 UNL111111111 0.1446 39 H -0.3342 0.1197 1.2117 H 1 UNL111111111 0.1822 40 H -0.5072 1.5443 -2.8623 H 1 UNL111111111 0.1665 41 H -2.3214 0.1841 -1.9784 H 1 UNL111111111 0.1576 42 H 5.2850 -1.2644 -2.1376 H 1 UNL111111111 0.1602 43 H 5.9530 -0.4362 -0.7256 H 1 UNL111111111 0.1598 44 H 6.9865 -1.4822 -1.7061 H 1 UNL111111111 0.1466 45 H 7.4759 -3.5395 -0.2274 H 1 UNL111111111 0.1532 46 H 6.0864 -4.6004 0.0286 H 1 UNL111111111 0.1500 47 H 6.5115 -4.0888 -1.6082 H 1 UNL111111111 0.1544 48 H 1.4695 2.4699 -3.6631 H 1 UNL111111111 0.3301 49 H -2.4621 0.4500 1.1121 H 1 UNL111111111 0.1649 50 H -4.8215 0.9770 1.6960 H 1 UNL111111111 0.1817 51 H -3.8621 -1.4893 -1.7209 H 1 UNL111111111 0.1604 52 H -6.2254 -2.2129 -1.8779 H 1 UNL111111111 0.1597 53 H -8.2250 0.0303 1.5902 H 1 UNL111111111 0.3413 54 H -8.3984 -1.9400 -0.9374 H 1 UNL111111111 0.3382 @BOND 1 48 2 1 2 2 15 1 3 40 17 1 4 42 20 1 5 41 19 1 6 17 15 ar 7 17 16 ar 8 52 27 1 9 15 11 ar 10 51 25 1 11 44 20 1 12 47 21 1 13 37 12 1 14 20 43 1 15 20 18 1 16 27 25 ar 17 27 28 ar 18 25 23 ar 19 19 16 1 20 19 22 2 21 54 4 1 22 16 14 ar 23 11 12 1 24 11 10 ar 25 21 18 1 26 21 45 1 27 21 46 1 28 12 7 2 29 18 13 2 30 35 9 1 31 28 4 1 32 28 26 ar 33 23 22 1 34 23 24 ar 35 22 49 1 36 14 10 ar 37 14 39 1 38 13 9 1 39 13 38 1 40 10 1 1 41 9 36 1 42 9 6 1 43 7 31 1 44 7 5 1 45 26 24 ar 46 26 3 1 47 24 50 1 48 53 3 1 49 1 5 1 50 5 6 1 51 5 8 1 52 6 29 1 53 6 30 1 54 34 8 1 55 8 33 1 56 8 32 1