@MOLECULE (6s,7s)-7-hydroxy-3-[(1e)-3-hydroxy-1-propen-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1h-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1260 -1.5792 0.2451 O.3 1 UNL1111111111 -0.4796 2 O 0.9858 -3.8271 -1.2003 O.3 1 UNL1111111111 -0.5289 3 O -3.5106 0.3164 -0.7060 O.2 1 UNL1111111111 -0.3389 4 O -0.9638 -2.5011 -2.5468 O.2 1 UNL1111111111 -0.4662 5 O 2.2734 -1.4572 2.1570 O.2 1 UNL1111111111 -0.5270 6 O 0.6727 0.7509 -0.8782 O.3 1 UNL1111111111 -0.4638 7 O 4.1729 3.7079 -1.1157 O.3 1 UNL1111111111 -0.3011 8 O -6.3361 4.0752 -0.2507 O.3 1 UNL1111111111 -0.5369 9 C -0.1511 -3.3920 -0.4999 C.3 1 UNL1111111111 0.1869 10 C 0.3782 -2.6789 0.7665 C.3 1 UNL1111111111 0.1325 11 C -0.7777 -2.0905 1.5859 C.3 1 UNL1111111111 -0.3689 12 C -1.6687 -1.2441 0.7350 C.2 1 UNL1111111111 0.2239 13 C -1.7327 -1.3975 -0.6138 C.2 1 UNL1111111111 -0.3687 14 C -0.9767 -2.4044 -1.3410 C.2 1 UNL1111111111 0.4403 15 C -1.0056 -4.6108 -0.1624 C.3 1 UNL1111111111 -0.4848 16 C -2.5675 -0.4847 -1.4405 C.3 1 UNL1111111111 0.0132 17 C -2.4756 -0.2473 1.3695 C.2 1 UNL1111111111 -0.4569 18 C -3.3549 0.4711 0.6176 C.2 1 UNL1111111111 0.3806 19 C 2.0486 -0.9882 1.0682 C.2 1 UNL1111111111 0.6700 20 C 2.6257 0.1973 0.4527 C.ar 1 UNL1111111111 -0.4179 21 C -4.2786 1.4730 1.1374 C.2 1 UNL1111111111 -0.2929 22 C 3.9333 0.5822 0.8189 C.ar 1 UNL1111111111 0.2607 23 C 1.9176 1.0140 -0.4559 C.ar 1 UNL1111111111 0.4432 24 C -4.9208 2.3426 0.3462 C.2 1 UNL1111111111 -0.0330 25 C 4.4948 1.7492 0.3115 C.ar 1 UNL1111111111 -0.4348 26 C 2.4562 2.1986 -0.9625 C.ar 1 UNL1111111111 -0.4117 27 C 4.7299 -0.2558 1.7553 C.3 1 UNL1111111111 -0.4790 28 C 3.7480 2.5484 -0.5657 C.ar 1 UNL1111111111 0.3654 29 C -5.8587 3.3707 0.8867 C.3 1 UNL1111111111 -0.0293 30 C 5.4844 4.1522 -0.7899 C.3 1 UNL1111111111 -0.2045 31 H 1.0484 -3.3369 1.3603 H 1 UNL1111111111 0.1673 32 H -1.3645 -2.8979 2.0731 H 1 UNL1111111111 0.1794 33 H -0.3571 -1.4977 2.4315 H 1 UNL1111111111 0.1893 34 H -1.9347 -4.3462 0.3512 H 1 UNL1111111111 0.1554 35 H -1.2752 -5.1542 -1.0801 H 1 UNL1111111111 0.1710 36 H -0.4476 -5.3186 0.4644 H 1 UNL1111111111 0.1669 37 H -3.2240 -1.0287 -2.1516 H 1 UNL1111111111 0.1576 38 H -1.9460 0.2546 -1.9928 H 1 UNL1111111111 0.1560 39 H -2.3813 -0.0850 2.4354 H 1 UNL1111111111 0.1798 40 H 0.8518 -3.7157 -2.1739 H 1 UNL1111111111 0.3421 41 H -4.4009 1.4667 2.2212 H 1 UNL1111111111 0.1711 42 H -4.8014 2.3608 -0.7454 H 1 UNL1111111111 0.1912 43 H 5.5000 2.0314 0.5980 H 1 UNL1111111111 0.1724 44 H 1.8856 2.8172 -1.6494 H 1 UNL1111111111 0.2023 45 H 4.2697 -0.2676 2.7613 H 1 UNL1111111111 0.1907 46 H 4.7648 -1.3104 1.4347 H 1 UNL1111111111 0.1803 47 H 5.7652 0.0855 1.8722 H 1 UNL1111111111 0.1556 48 H -6.7193 2.9120 1.4138 H 1 UNL1111111111 0.1350 49 H -5.3464 4.0835 1.5641 H 1 UNL1111111111 0.1363 50 H 0.3747 -0.1756 -0.6301 H 1 UNL1111111111 0.3648 51 H -6.9609 4.7756 0.0195 H 1 UNL1111111111 0.3143 52 H 5.5753 4.3492 0.2826 H 1 UNL1111111111 0.1366 53 H 6.2361 3.4343 -1.1326 H 1 UNL1111111111 0.1381 54 H 5.5580 5.0883 -1.3607 H 1 UNL1111111111 0.1545 @BOND 1 1 10 1 2 1 19 1 3 2 9 1 4 2 40 1 5 3 16 1 6 3 18 1 7 4 14 2 8 5 19 2 9 6 23 1 10 6 50 1 11 7 28 1 12 7 30 1 13 8 29 1 14 8 51 1 15 9 10 1 16 9 14 1 17 9 15 1 18 10 11 1 19 10 31 1 20 11 12 1 21 11 32 1 22 11 33 1 23 12 13 2 24 12 17 1 25 13 14 1 26 13 16 1 27 15 34 1 28 15 35 1 29 15 36 1 30 16 37 1 31 16 38 1 32 17 18 2 33 17 39 1 34 18 21 1 35 19 20 1 36 20 22 ar 37 20 23 ar 38 21 24 2 39 21 41 1 40 22 25 ar 41 22 27 1 42 23 26 ar 43 24 29 1 44 24 42 1 45 25 28 ar 46 25 43 1 47 26 28 ar 48 26 44 1 49 27 45 1 50 27 46 1 51 27 47 1 52 29 48 1 53 29 49 1 54 30 52 1 55 30 53 1 56 30 54 1