@MOLECULE (2r,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2683 0.1695 -1.5905 O.3 1 UNL1111111111 -0.3206 2 O -0.0521 4.0682 -0.2616 O.3 1 UNL1111111111 -0.5434 3 O 2.1427 -2.1029 -2.1214 O.3 1 UNL1111111111 -0.2977 4 O -3.2445 -2.1422 1.2265 O.3 1 UNL1111111111 -0.2598 5 O -5.3340 -0.6580 0.9651 O.3 1 UNL1111111111 -0.4329 6 O 4.9717 0.0573 2.5905 O.2 1 UNL1111111111 -0.4374 7 C 0.5032 1.7710 0.2267 C.3 1 UNL1111111111 -0.1953 8 C -0.4109 1.2875 -0.9429 C.3 1 UNL1111111111 0.1015 9 C 1.6073 0.7612 0.2068 C.ar 1 UNL1111111111 -0.1115 10 C 1.3838 -0.1186 -0.8656 C.ar 1 UNL1111111111 0.1279 11 C 1.0266 3.1881 -0.0350 C.3 1 UNL1111111111 -0.0006 12 C -1.7308 0.7834 -0.4516 C.ar 1 UNL1111111111 -0.0615 13 C 2.7009 0.5954 1.0334 C.ar 1 UNL1111111111 -0.0926 14 C 2.2484 -1.1803 -1.1309 C.ar 1 UNL1111111111 0.1336 15 C 3.5770 -0.4658 0.7680 C.ar 1 UNL1111111111 -0.1725 16 C -1.8028 -0.4771 0.1579 C.ar 1 UNL1111111111 -0.2369 17 C -2.8651 1.5708 -0.5914 C.ar 1 UNL1111111111 -0.1475 18 C 3.3609 -1.3437 -0.2951 C.ar 1 UNL1111111111 -0.1632 19 C -3.0208 -0.9458 0.6246 C.ar 1 UNL1111111111 0.1553 20 C -4.0992 1.1127 -0.1172 C.ar 1 UNL1111111111 -0.2557 21 C -4.1776 -0.1354 0.4822 C.ar 1 UNL1111111111 0.1968 22 C 4.7543 -0.6593 1.6416 C.2 1 UNL1111111111 0.3475 23 C 1.0157 -1.9674 -2.9823 C.3 1 UNL1111111111 -0.1998 24 C -2.1027 -2.9677 1.4277 C.3 1 UNL1111111111 -0.2180 25 H -0.0525 1.7432 1.1928 H 1 UNL1111111111 0.1715 26 H -0.5022 2.0421 -1.7548 H 1 UNL1111111111 0.1687 27 H 1.6063 3.2583 -0.9763 H 1 UNL1111111111 0.1530 28 H 1.6429 3.5599 0.8025 H 1 UNL1111111111 0.1259 29 H 2.8919 1.2612 1.8767 H 1 UNL1111111111 0.1797 30 H -0.8976 -1.0744 0.2498 H 1 UNL1111111111 0.1746 31 H -2.8048 2.5477 -1.0695 H 1 UNL1111111111 0.1615 32 H 4.0464 -2.1680 -0.4928 H 1 UNL1111111111 0.1723 33 H -0.6386 4.1118 0.5199 H 1 UNL1111111111 0.3142 34 H -4.9850 1.7322 -0.2242 H 1 UNL1111111111 0.1628 35 H 5.4374 -1.4853 1.4016 H 1 UNL1111111111 0.1126 36 H 1.1570 -2.8009 -3.6821 H 1 UNL1111111111 0.1495 37 H 1.0396 -1.0078 -3.5105 H 1 UNL1111111111 0.1451 38 H 0.0806 -2.0816 -2.4227 H 1 UNL1111111111 0.1447 39 H -6.0972 -0.0446 0.8168 H 1 UNL1111111111 0.3186 40 H -1.3744 -2.4819 2.0845 H 1 UNL1111111111 0.1365 41 H -1.6512 -3.2579 0.4741 H 1 UNL1111111111 0.1357 42 H -2.5441 -3.8430 1.9252 H 1 UNL1111111111 0.1576 @BOND 1 1 8 1 2 1 10 1 3 2 11 1 4 2 33 1 5 3 14 1 6 3 23 1 7 4 19 1 8 4 24 1 9 5 21 1 10 5 39 1 11 6 22 2 12 7 8 1 13 7 9 1 14 7 11 1 15 7 25 1 16 8 12 1 17 8 26 1 18 9 10 ar 19 9 13 ar 20 10 14 ar 21 11 27 1 22 11 28 1 23 12 16 ar 24 12 17 ar 25 13 15 ar 26 13 29 1 27 14 18 ar 28 15 18 ar 29 15 22 1 30 16 19 ar 31 16 30 1 32 17 20 ar 33 17 31 1 34 18 32 1 35 19 21 ar 36 20 21 ar 37 20 34 1 38 22 35 1 39 23 36 1 40 23 37 1 41 23 38 1 42 24 40 1 43 24 41 1 44 24 42 1