@MOLECULE (9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2h,8h-pyrano[2,3-f]chromen-10-yl 3-methylbutanoate 52 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3730 2.8714 -1.0404 O.3 1 UNL1 -0.3575 2 O 2.7726 0.7462 0.6868 O.3 1 UNL1 -0.4199 3 O 0.6424 -0.5520 -0.4890 O.3 1 UNL1 -0.4717 4 O -2.1900 -0.4442 1.1511 O.2 1 UNL1 -0.3642 5 O 0.6789 -2.3459 0.8790 O.2 1 UNL1 -0.4758 6 O 2.5547 0.7657 2.9283 O.2 1 UNL1 -0.4901 7 O -3.3312 -1.8676 2.3449 O.2 1 UNL1 -0.3941 8 C 1.6467 2.2484 -0.7385 C.3 1 UNL1 0.2989 9 C 1.5317 1.4269 0.5678 C.3 1 UNL1 0.0243 10 C 0.3771 0.4106 0.5304 C.3 1 UNL1 0.1406 11 C -0.8553 1.0948 0.0386 C.ar 1 UNL1 -0.3278 12 C -0.7613 2.2019 -0.8019 C.ar 1 UNL1 0.3669 13 C 2.5431 3.4666 -0.5346 C.3 1 UNL1 -0.4795 14 C 2.0389 1.4200 -1.9476 C.3 1 UNL1 -0.4849 15 C -2.1330 0.5622 0.2641 C.ar 1 UNL1 0.3707 16 C -1.8949 2.7437 -1.4543 C.ar 1 UNL1 -0.3170 17 C -3.2702 1.0441 -0.4101 C.ar 1 UNL1 -0.2809 18 C -3.1219 2.1474 -1.2748 C.ar 1 UNL1 0.0065 19 C 0.4451 -1.8772 -0.2002 C.2 1 UNL1 0.6328 20 C -0.0781 -2.5500 -1.4354 C.3 1 UNL1 -0.3697 21 C 3.1763 0.4283 1.9561 C.2 1 UNL1 0.6289 22 C 0.9543 -3.5159 -2.0447 C.3 1 UNL1 -0.0328 23 C -4.5161 0.3716 -0.1846 C.ar 1 UNL1 0.0379 24 C -3.4259 -1.0520 1.4738 C.ar 1 UNL1 0.5986 25 C -4.5840 -0.6335 0.7159 C.ar 1 UNL1 -0.3812 26 C 2.3084 -2.8197 -2.2084 C.3 1 UNL1 -0.4609 27 C 1.0948 -4.7668 -1.1747 C.3 1 UNL1 -0.4632 28 C 4.4544 -0.3324 1.8838 C.3 1 UNL1 -0.5087 29 H 1.3792 2.1065 1.4454 H 1 UNL1 0.1710 30 H 0.2571 -0.0927 1.5220 H 1 UNL1 0.1884 31 H 2.1739 4.1097 0.2754 H 1 UNL1 0.1639 32 H 3.5644 3.1559 -0.2829 H 1 UNL1 0.1668 33 H 2.5908 4.0880 -1.4382 H 1 UNL1 0.1626 34 H 1.2298 0.7360 -2.2458 H 1 UNL1 0.1772 35 H 2.2733 2.0478 -2.8151 H 1 UNL1 0.1532 36 H 2.9160 0.7929 -1.7251 H 1 UNL1 0.1749 37 H -1.7652 3.6093 -2.0985 H 1 UNL1 0.1794 38 H -3.9974 2.5281 -1.8030 H 1 UNL1 0.1512 39 H -1.0055 -3.1027 -1.1675 H 1 UNL1 0.1780 40 H -0.3767 -1.7938 -2.1932 H 1 UNL1 0.1710 41 H 0.5754 -3.8186 -3.0528 H 1 UNL1 0.1308 42 H -5.3927 0.6872 -0.7549 H 1 UNL1 0.1535 43 H -5.5039 -1.1724 0.9298 H 1 UNL1 0.1894 44 H 2.7799 -2.6316 -1.2363 H 1 UNL1 0.1544 45 H 3.0018 -3.4287 -2.7976 H 1 UNL1 0.1432 46 H 2.2044 -1.8506 -2.7093 H 1 UNL1 0.1477 47 H 1.3201 -4.5031 -0.1308 H 1 UNL1 0.1707 48 H 0.1746 -5.3606 -1.1671 H 1 UNL1 0.1442 49 H 1.9033 -5.4139 -1.5306 H 1 UNL1 0.1427 50 H 5.1886 0.1562 1.2265 H 1 UNL1 0.1800 51 H 4.2871 -1.3452 1.4790 H 1 UNL1 0.1933 52 H 4.9046 -0.4418 2.8841 H 1 UNL1 0.1862 @BOND 1 41 22 1 2 35 14 1 3 45 26 1 4 46 26 1 5 34 14 1 6 26 22 1 7 26 44 1 8 40 20 1 9 37 16 1 10 22 20 1 11 22 27 1 12 14 36 1 13 14 8 1 14 38 18 1 15 49 27 1 16 16 18 ar 17 16 12 ar 18 33 13 1 19 20 39 1 20 20 19 1 21 18 17 ar 22 27 48 1 23 27 47 1 24 1 12 1 25 1 8 1 26 12 11 ar 27 42 23 1 28 8 13 1 29 8 9 1 30 13 32 1 31 13 31 1 32 3 19 1 33 3 10 1 34 17 23 ar 35 17 15 ar 36 19 5 2 37 23 25 ar 38 11 15 ar 39 11 10 1 40 15 4 ar 41 10 9 1 42 10 30 1 43 9 2 1 44 9 29 1 45 2 21 1 46 25 43 1 47 25 24 ar 48 4 24 ar 49 50 28 1 50 24 7 2 51 51 28 1 52 28 21 1 53 28 52 1 54 21 6 2