@MOLECULE (3z)-3-(3,4-dihydroxybenzylidene)-6-[(e)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-2-methoxy-2-methyl-2,3-dihydro-4h-furo[3,2-c]pyran-4-one 55 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6518 -2.0848 0.6830 O.3 1 UNL1 -0.3811 2 O 3.5594 -2.0444 -0.6149 O.3 1 UNL1 -0.3522 3 O -1.2435 0.5459 -0.3890 O.2 1 UNL1 -0.4094 4 O 0.2235 2.0849 -0.9139 O.2 1 UNL1 -0.4199 5 O 7.5339 1.6231 1.8767 O.3 1 UNL1 -0.4938 6 O 8.9052 0.7896 -0.3394 O.3 1 UNL1 -0.4552 7 O -8.4265 1.9276 -0.1365 O.3 1 UNL1 -0.3055 8 O -9.5016 -0.5569 -0.0294 O.3 1 UNL1 -0.4275 9 C 2.9433 -1.3592 0.4152 C.3 1 UNL1 0.4476 10 C 2.5168 0.0010 -0.1464 C.2 1 UNL1 0.0137 11 C 1.0714 -0.0364 -0.1550 C.ar 1 UNL1 -0.4687 12 C 0.6527 -1.2805 0.3121 C.ar 1 UNL1 0.4485 13 C 3.6609 -1.3430 1.7427 C.3 1 UNL1 -0.5113 14 C 3.3166 0.9983 -0.5239 C.2 1 UNL1 -0.1764 15 C -0.7062 -1.6287 0.4146 C.ar 1 UNL1 -0.4814 16 C 0.1428 0.9575 -0.5240 C.ar 1 UNL1 0.6490 17 C 4.7741 0.9429 -0.4508 C.ar 1 UNL1 0.0124 18 C -1.6075 -0.6575 0.0434 C.ar 1 UNL1 0.4199 19 C 4.0237 -3.3512 -0.3049 C.3 1 UNL1 -0.1966 20 C 5.4202 1.3548 0.7210 C.ar 1 UNL1 -0.2531 21 C 5.5075 0.4815 -1.5442 C.ar 1 UNL1 -0.1427 22 C -3.0484 -0.8391 0.0967 C.2 1 UNL1 -0.2830 23 C 6.8039 1.2862 0.7745 C.ar 1 UNL1 0.1382 24 C 6.8984 0.4378 -1.4970 C.ar 1 UNL1 -0.1914 25 C -3.9416 0.1000 -0.2630 C.2 1 UNL1 -0.0024 26 C 7.5487 0.8434 -0.3356 C.ar 1 UNL1 0.1920 27 C -5.3829 -0.1120 -0.1995 C.ar 1 UNL1 -0.0997 28 C -6.2302 1.0054 -0.1446 C.ar 1 UNL1 -0.1363 29 C -5.9390 -1.3949 -0.1990 C.ar 1 UNL1 -0.0738 30 C -7.6046 0.8308 -0.0844 C.ar 1 UNL1 0.0946 31 C -7.3177 -1.5828 -0.1453 C.ar 1 UNL1 -0.3016 32 C -8.1526 -0.4690 -0.0872 C.ar 1 UNL1 0.2395 33 C -8.7264 2.4365 1.1633 C.3 1 UNL1 -0.2024 34 H 3.2585 -0.5599 2.4018 H 1 UNL1 0.1749 35 H 3.5623 -2.2959 2.2789 H 1 UNL1 0.1706 36 H 4.7333 -1.1388 1.5982 H 1 UNL1 0.1819 37 H 2.9005 1.9322 -0.9219 H 1 UNL1 0.1910 38 H -1.0054 -2.6070 0.7658 H 1 UNL1 0.1989 39 H 4.3375 -3.7246 -1.2895 H 1 UNL1 0.1525 40 H 3.2209 -3.9724 0.1011 H 1 UNL1 0.1366 41 H 4.8787 -3.3034 0.3773 H 1 UNL1 0.1298 42 H 4.8435 1.7213 1.5632 H 1 UNL1 0.1662 43 H 4.9822 0.1445 -2.4392 H 1 UNL1 0.1697 44 H -3.3656 -1.8162 0.4700 H 1 UNL1 0.1744 45 H 7.4834 0.0894 -2.3453 H 1 UNL1 0.1754 46 H -3.6134 1.0869 -0.6199 H 1 UNL1 0.1768 47 H -5.8214 2.0189 -0.1563 H 1 UNL1 0.1765 48 H -5.2902 -2.2689 -0.2553 H 1 UNL1 0.1583 49 H -7.7361 -2.5863 -0.1521 H 1 UNL1 0.1648 50 H 6.9568 1.9787 2.5954 H 1 UNL1 0.3370 51 H 9.2771 1.1289 0.5159 H 1 UNL1 0.3394 52 H -9.8083 -1.4996 -0.0415 H 1 UNL1 0.3216 53 H -7.8159 2.7561 1.6741 H 1 UNL1 0.1270 54 H -9.2707 1.6930 1.7536 H 1 UNL1 0.1342 55 H -9.3706 3.2956 0.9359 H 1 UNL1 0.1522 @BOND 1 43 21 1 2 45 24 1 3 21 24 ar 4 21 17 ar 5 24 26 ar 6 39 19 1 7 37 14 1 8 4 16 2 9 46 25 1 10 2 19 1 11 2 9 1 12 16 3 ar 13 16 11 ar 14 14 17 1 15 14 10 2 16 17 20 ar 17 3 18 ar 18 6 26 1 19 6 51 1 20 26 23 ar 21 19 40 1 22 19 41 1 23 25 27 1 24 25 22 2 25 48 29 1 26 27 29 ar 27 27 28 ar 28 29 31 ar 29 47 28 1 30 11 10 1 31 11 12 ar 32 49 31 1 33 10 9 1 34 31 32 ar 35 28 30 ar 36 7 30 1 37 7 33 1 38 32 30 ar 39 32 8 1 40 52 8 1 41 18 22 1 42 18 15 ar 43 22 44 1 44 12 15 ar 45 12 1 1 46 15 38 1 47 9 1 1 48 9 13 1 49 20 23 ar 50 20 42 1 51 23 5 1 52 55 33 1 53 33 53 1 54 33 54 1 55 36 13 1 56 13 35 1 57 13 34 1 58 5 50 1