@MOLECULE (5z)-4-hydroxy-3-[(2r)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]methylene}-2(5h)-furanone 62 66 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.5776 -0.2946 -0.1043 C.ar 1 UNL111111111 -0.0777 2 C 3.2443 -1.5898 0.3436 C.ar 1 UNL111111111 -0.0672 3 C 4.1802 -2.3644 1.0412 C.ar 1 UNL111111111 -0.0915 4 C 5.4568 -1.8796 1.3372 C.ar 1 UNL111111111 -0.2572 5 C 5.7487 -0.6002 0.8977 C.ar 1 UNL111111111 0.2284 6 C 4.8330 0.1927 0.1768 C.ar 1 UNL111111111 -0.1197 7 C 5.4924 1.4907 -0.1519 C.3 1 UNL111111111 -0.3030 8 C 6.8774 1.3497 0.5267 C.3 1 UNL111111111 0.0365 9 O 6.9438 0.0149 1.1109 O.3 1 UNL111111111 -0.3421 10 C 1.9242 -2.1456 0.0945 C.2 1 UNL111111111 -0.1655 11 C 0.8042 -1.4165 -0.0038 C.2 1 UNL111111111 0.0872 12 O 0.8200 -0.0414 0.1352 O.3 1 UNL111111111 -0.3520 13 C -0.5132 0.4452 0.0070 C.2 1 UNL111111111 0.5901 14 C -1.3995 -0.7126 -0.2424 C.2 1 UNL111111111 -0.2416 15 C -0.5960 -1.8143 -0.2445 C.2 1 UNL111111111 0.2444 16 C -2.8215 -0.5913 -0.4424 C.ar 1 UNL111111111 -0.0283 17 C -3.4855 0.5937 -0.0544 C.ar 1 UNL111111111 -0.1051 18 C -4.8402 0.6879 -0.2669 C.ar 1 UNL111111111 -0.1089 19 C -5.5363 -0.3870 -0.8571 C.ar 1 UNL111111111 0.2178 20 C -4.9188 -1.5623 -1.2406 C.ar 1 UNL111111111 -0.2546 21 C -3.5393 -1.6444 -1.0231 C.ar 1 UNL111111111 -0.0884 22 C -5.8194 1.7747 0.0303 C.3 1 UNL111111111 -0.3050 23 C -7.1517 1.1859 -0.4968 C.3 1 UNL111111111 0.0339 24 O -6.8698 -0.1495 -1.0056 O.3 1 UNL111111111 -0.3449 25 C -8.2280 1.0052 0.6010 C.3 1 UNL111111111 0.3122 26 C -9.3410 0.0758 0.1174 C.3 1 UNL111111111 -0.5025 27 O -7.6258 0.4557 1.7564 O.3 1 UNL111111111 -0.5632 28 C -8.7684 2.3606 1.0564 C.3 1 UNL111111111 -0.4768 29 C 8.0680 1.4379 -0.4579 C.3 1 UNL111111111 0.3122 30 O 7.7914 0.6378 -1.5906 O.3 1 UNL111111111 -0.5624 31 C 8.2117 2.8548 -1.0122 C.3 1 UNL111111111 -0.4760 32 C 9.3537 0.9491 0.2090 C.3 1 UNL111111111 -0.5041 33 O -0.6734 1.6207 0.1108 O.2 1 UNL111111111 -0.3958 34 O -1.0172 -3.0653 -0.4392 O.2 1 UNL111111111 -0.3976 35 H 2.8574 0.3047 -0.6633 H 1 UNL111111111 0.1794 36 H 3.9096 -3.3659 1.3754 H 1 UNL111111111 0.1508 37 H 6.1793 -2.4701 1.8890 H 1 UNL111111111 0.1738 38 H 5.5853 1.6318 -1.2492 H 1 UNL111111111 0.1835 39 H 4.9296 2.3597 0.2308 H 1 UNL111111111 0.1652 40 H 7.0052 2.0305 1.3893 H 1 UNL111111111 0.1455 41 H 1.8794 -3.2339 0.0029 H 1 UNL111111111 0.1576 42 H -2.9352 1.4173 0.4028 H 1 UNL111111111 0.1800 43 H -5.4727 -2.3772 -1.6916 H 1 UNL111111111 0.1706 44 H -3.0191 -2.5555 -1.3240 H 1 UNL111111111 0.1653 45 H -5.8680 1.9907 1.1182 H 1 UNL111111111 0.1836 46 H -5.5609 2.7246 -0.4676 H 1 UNL111111111 0.1611 47 H -7.5477 1.7322 -1.3732 H 1 UNL111111111 0.1436 48 H -8.9444 -0.8962 -0.2048 H 1 UNL111111111 0.1660 49 H -10.0571 -0.1200 0.9252 H 1 UNL111111111 0.1629 50 H -9.8895 0.5018 -0.7276 H 1 UNL111111111 0.1547 51 H -7.1739 -0.3858 1.5394 H 1 UNL111111111 0.3262 52 H -9.3140 2.8710 0.2586 H 1 UNL111111111 0.1506 53 H -9.4519 2.2297 1.9074 H 1 UNL111111111 0.1682 54 H -7.9626 3.0178 1.4059 H 1 UNL111111111 0.1596 55 H 7.6062 -0.2848 -1.3198 H 1 UNL111111111 0.3254 56 H 8.4279 3.5813 -0.2243 H 1 UNL111111111 0.1512 57 H 9.0282 2.8954 -1.7468 H 1 UNL111111111 0.1673 58 H 7.3046 3.1717 -1.5420 H 1 UNL111111111 0.1614 59 H 9.2336 -0.0550 0.6364 H 1 UNL111111111 0.1655 60 H 10.1685 0.8916 -0.5238 H 1 UNL111111111 0.1638 61 H 9.6724 1.6141 1.0172 H 1 UNL111111111 0.1554 62 H -0.2707 -3.7225 -0.3789 H 1 UNL111111111 0.3302 @BOND 1 1 2 ar 2 1 6 ar 3 1 35 1 4 2 3 ar 5 2 10 1 6 3 4 ar 7 3 36 1 8 4 5 ar 9 4 37 1 10 5 6 ar 11 5 9 1 12 6 7 1 13 7 8 1 14 7 38 1 15 7 39 1 16 8 9 1 17 8 29 1 18 8 40 1 19 10 11 2 20 10 41 1 21 11 12 1 22 11 15 1 23 12 13 1 24 13 14 1 25 13 33 2 26 14 15 2 27 14 16 1 28 15 34 1 29 16 17 ar 30 16 21 ar 31 17 18 ar 32 17 42 1 33 18 19 ar 34 18 22 1 35 19 20 ar 36 19 24 1 37 20 21 ar 38 20 43 1 39 21 44 1 40 22 23 1 41 22 45 1 42 22 46 1 43 23 24 1 44 23 25 1 45 23 47 1 46 25 26 1 47 25 27 1 48 25 28 1 49 26 48 1 50 26 49 1 51 26 50 1 52 27 51 1 53 28 52 1 54 28 53 1 55 28 54 1 56 29 30 1 57 29 31 1 58 29 32 1 59 30 55 1 60 31 56 1 61 31 57 1 62 31 58 1 63 32 59 1 64 32 60 1 65 32 61 1 66 34 62 1