@MOLECULE (9s,10s)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2h,8h-pyrano[2,3-f]chromen-9-yl (2z)-2-methyl-2-butenoate 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5023 -2.8693 0.1220 O.3 1 UNL1 -0.3338 2 O 1.9054 -0.5149 -0.2034 O.3 1 UNL1 -0.4131 3 O 0.0894 1.1293 0.7668 O.3 1 UNL1 -0.4289 4 O -2.4333 0.8537 0.3970 O.2 1 UNL1 -0.3422 5 O 2.7669 1.4531 0.4762 O.2 1 UNL1 -0.5215 6 O 0.3242 1.8252 2.8932 O.2 1 UNL1 -0.5158 7 O -3.6832 2.6298 0.5087 O.2 1 UNL1 -0.4189 8 C 1.3789 -2.3481 1.1468 C.3 1 UNL1 0.2808 9 C 1.4293 -0.8095 1.1045 C.3 1 UNL1 0.0132 10 C 0.0048 -0.2178 1.2238 C.3 1 UNL1 0.1284 11 C -0.9229 -0.9195 0.2938 C.ar 1 UNL1 -0.3128 12 C -0.5911 -2.1739 -0.2188 C.ar 1 UNL1 0.3594 13 C 0.8568 -2.8506 2.4876 C.3 1 UNL1 -0.4980 14 C 2.7210 -2.9639 0.7693 C.3 1 UNL1 -0.4714 15 C -2.1229 -0.3376 -0.1433 C.ar 1 UNL1 0.3698 16 C -1.4094 -2.8342 -1.1690 C.ar 1 UNL1 -0.3187 17 C -2.9542 -0.9697 -1.0863 C.ar 1 UNL1 -0.2850 18 C -2.5690 -2.2274 -1.5928 C.ar 1 UNL1 0.0036 19 C 2.4199 0.7280 -0.4212 C.2 1 UNL1 0.6344 20 C -4.1559 -0.2992 -1.4887 C.ar 1 UNL1 0.0393 21 C 0.2649 2.0941 1.7227 C.2 1 UNL1 0.6589 22 C -3.5847 1.5549 -0.0149 C.ar 1 UNL1 0.5974 23 C -4.4563 0.9127 -0.9749 C.ar 1 UNL1 -0.3802 24 C 2.4860 0.9698 -1.8781 C.2 1 UNL1 -0.1133 25 C 0.3642 3.4192 1.0589 C.3 1 UNL1 -0.5060 26 C 1.1975 0.7325 -2.5830 C.3 1 UNL1 -0.4309 27 C 3.6098 1.3717 -2.4843 C.2 1 UNL1 -0.0722 28 C 4.9085 1.5886 -1.7973 C.3 1 UNL1 -0.4649 29 H 2.1141 -0.3853 1.8717 H 1 UNL1 0.1755 30 H -0.3645 -0.2433 2.2805 H 1 UNL1 0.1740 31 H 0.8560 -3.9483 2.5226 H 1 UNL1 0.1669 32 H -0.1777 -2.5322 2.6730 H 1 UNL1 0.1677 33 H 1.4720 -2.4935 3.3223 H 1 UNL1 0.1680 34 H 2.6569 -4.0577 0.7091 H 1 UNL1 0.1617 35 H 3.4985 -2.7057 1.4963 H 1 UNL1 0.1624 36 H 3.0541 -2.6097 -0.2187 H 1 UNL1 0.1758 37 H -1.0971 -3.8052 -1.5437 H 1 UNL1 0.1795 38 H -3.2081 -2.7201 -2.3285 H 1 UNL1 0.1527 39 H -4.8065 -0.7938 -2.2136 H 1 UNL1 0.1539 40 H -5.3512 1.4700 -1.2445 H 1 UNL1 0.1897 41 H 1.3752 3.5556 0.6327 H 1 UNL1 0.1971 42 H 0.1846 4.2330 1.7782 H 1 UNL1 0.1852 43 H -0.3586 3.5260 0.2346 H 1 UNL1 0.1874 44 H 0.9662 -0.3458 -2.6239 H 1 UNL1 0.1701 45 H 0.3526 1.2065 -2.0549 H 1 UNL1 0.1716 46 H 1.1956 1.1113 -3.6120 H 1 UNL1 0.1525 47 H 3.6228 1.5542 -3.5617 H 1 UNL1 0.1506 48 H 5.4972 2.3867 -2.2703 H 1 UNL1 0.1564 49 H 5.5236 0.6758 -1.8174 H 1 UNL1 0.1627 50 H 4.7889 1.8712 -0.7371 H 1 UNL1 0.1811 @BOND 1 46 26 1 2 47 27 1 3 44 26 1 4 26 45 1 5 26 24 1 6 27 24 2 7 27 28 1 8 38 18 1 9 48 28 1 10 39 20 1 11 24 19 1 12 49 28 1 13 28 50 1 14 18 16 ar 15 18 17 ar 16 37 16 1 17 20 17 ar 18 20 23 ar 19 40 23 1 20 16 12 ar 21 17 15 ar 22 23 22 ar 23 19 2 1 24 19 5 2 25 12 1 1 26 12 11 ar 27 36 14 1 28 2 9 1 29 15 11 ar 30 15 4 ar 31 22 4 ar 32 22 7 2 33 1 8 1 34 43 25 1 35 11 10 1 36 41 25 1 37 34 14 1 38 3 10 1 39 3 21 1 40 14 8 1 41 14 35 1 42 25 21 1 43 25 42 1 44 9 8 1 45 9 10 1 46 9 29 1 47 8 13 1 48 10 30 1 49 21 6 2 50 13 31 1 51 13 32 1 52 13 33 1