@MOLECULE (3e,4s)-4-(4-hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzylidene)dihydro-2(3h)-furanone 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1723 1.9406 0.3286 O.3 1 UNL1111111111 -0.3895 2 O 5.3431 0.1859 -0.3904 O.2 1 UNL1111111111 -0.4356 3 O -3.6062 0.7875 0.5197 O.3 1 UNL1111111111 -0.2655 4 O -3.9536 3.3377 0.5172 O.3 1 UNL1111111111 -0.4359 5 O -1.6939 -2.7628 -1.4947 O.3 1 UNL1111111111 -0.2664 6 O -2.3040 -3.5367 0.8846 O.3 1 UNL1111111111 -0.4404 7 C 1.9467 1.0250 0.3462 C.3 1 UNL1111111111 -0.1272 8 C 1.1000 1.2988 -0.9105 C.3 1 UNL1111111111 -0.2849 9 C 2.8251 2.2415 0.7234 C.3 1 UNL1111111111 -0.0508 10 C 2.9639 -0.0461 0.0841 C.2 1 UNL1111111111 -0.1665 11 C -0.2300 1.8735 -0.5323 C.ar 1 UNL1111111111 0.0117 12 C 4.2831 0.6205 -0.0400 C.2 1 UNL1111111111 0.5815 13 C 2.7810 -1.3656 0.0212 C.2 1 UNL1111111111 -0.0763 14 C -1.2665 0.9994 -0.1682 C.ar 1 UNL1111111111 -0.2858 15 C -0.4370 3.2454 -0.5432 C.ar 1 UNL1111111111 -0.1767 16 C 1.4712 -1.9861 0.2455 C.ar 1 UNL1111111111 -0.0133 17 C -2.5105 1.5056 0.1723 C.ar 1 UNL1111111111 0.1748 18 C -1.6855 3.7720 -0.1892 C.ar 1 UNL1111111111 -0.2450 19 C -2.7120 2.9117 0.1637 C.ar 1 UNL1111111111 0.1780 20 C 0.5675 -2.1112 -0.8187 C.ar 1 UNL1111111111 -0.2517 21 C 1.1332 -2.4174 1.5232 C.ar 1 UNL1111111111 -0.1506 22 C -0.6988 -2.6260 -0.5811 C.ar 1 UNL1111111111 0.1551 23 C -0.1289 -2.9672 1.7654 C.ar 1 UNL1111111111 -0.2409 24 C -1.0407 -3.0603 0.7248 C.ar 1 UNL1111111111 0.1771 25 C -3.4549 -0.6271 0.5608 C.3 1 UNL1111111111 -0.2165 26 C -1.4708 -2.1608 -2.7649 C.3 1 UNL1111111111 -0.2190 27 H 1.2748 0.7446 1.1924 H 1 UNL1111111111 0.1734 28 H 0.9587 0.3570 -1.4817 H 1 UNL1111111111 0.1582 29 H 1.6458 1.9657 -1.6083 H 1 UNL1111111111 0.1584 30 H 2.8586 2.4289 1.8082 H 1 UNL1111111111 0.1406 31 H 2.5650 3.1672 0.1881 H 1 UNL1111111111 0.1495 32 H 3.6088 -2.0558 -0.1807 H 1 UNL1111111111 0.1795 33 H -1.0792 -0.0720 -0.1554 H 1 UNL1111111111 0.1727 34 H 0.3634 3.9233 -0.8290 H 1 UNL1111111111 0.1546 35 H -1.8417 4.8467 -0.1961 H 1 UNL1111111111 0.1587 36 H 0.8703 -1.8050 -1.8172 H 1 UNL1111111111 0.1727 37 H 1.8459 -2.3242 2.3414 H 1 UNL1111111111 0.1641 38 H -0.3908 -3.3081 2.7639 H 1 UNL1111111111 0.1640 39 H -4.0192 4.3240 0.4791 H 1 UNL1111111111 0.3166 40 H -3.1862 -1.0337 -0.4206 H 1 UNL1111111111 0.1465 41 H -2.7284 -0.9252 1.3219 H 1 UNL1111111111 0.1349 42 H -4.4652 -0.9539 0.8423 H 1 UNL1111111111 0.1576 43 H -2.4295 -3.9273 1.7860 H 1 UNL1111111111 0.3221 44 H -0.6610 -2.6644 -3.3006 H 1 UNL1111111111 0.1357 45 H -1.2852 -1.0858 -2.6696 H 1 UNL1111111111 0.1403 46 H -2.4314 -2.3397 -3.2695 H 1 UNL1111111111 0.1604 @BOND 1 1 9 1 2 1 12 1 3 2 12 2 4 3 17 1 5 3 25 1 6 4 19 1 7 4 39 1 8 5 22 1 9 5 26 1 10 6 24 1 11 6 43 1 12 7 8 1 13 7 9 1 14 7 10 1 15 7 27 1 16 8 11 1 17 8 28 1 18 8 29 1 19 9 30 1 20 9 31 1 21 10 12 1 22 10 13 2 23 11 14 ar 24 11 15 ar 25 13 16 1 26 13 32 1 27 14 17 ar 28 14 33 1 29 15 18 ar 30 15 34 1 31 16 20 ar 32 16 21 ar 33 17 19 ar 34 18 19 ar 35 18 35 1 36 20 22 ar 37 20 36 1 38 21 23 ar 39 21 37 1 40 22 24 ar 41 23 24 ar 42 23 38 1 43 25 40 1 44 25 41 1 45 25 42 1 46 26 44 1 47 26 45 1 48 26 46 1