@MOLECULE (7ar,10r,10as)-9,9-dimethyl-4-oxo-2-phenyl-7a,9,10,10a-tetrahydro-4h-furo[3',2':4,5]furo[2,3-h]chromen-10-yl acetate 49 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.9647 1.2646 0.5977 O.3 1 UNL1 -0.4122 2 O -3.6336 -0.9873 1.0032 O.3 1 UNL1 -0.3471 3 O -0.8121 1.2318 -0.8823 O.3 1 UNL1 -0.4108 4 O 0.9478 -0.5123 0.5104 O.2 1 UNL1 -0.2651 5 O 0.6419 2.9037 -0.4688 O.2 1 UNL1 -0.5119 6 O 1.4083 -4.3049 -0.9250 O.2 1 UNL1 -0.4682 7 C -1.7618 0.5528 1.2301 C.3 1 UNL1 -0.1886 8 C -1.6632 1.6655 0.1622 C.3 1 UNL1 0.0548 9 C -3.1027 1.7875 -0.4311 C.3 1 UNL1 0.2795 10 C -3.3038 0.3729 1.4241 C.3 1 UNL1 0.2968 11 C -1.3558 -0.7854 0.7266 C.ar 1 UNL1 -0.2524 12 C -2.5009 -1.5968 0.5894 C.ar 1 UNL1 0.3206 13 C -3.2974 0.9662 -1.6934 C.3 1 UNL1 -0.4799 14 C -3.5427 3.2352 -0.5936 C.3 1 UNL1 -0.4803 15 C -0.1360 -1.3284 0.3625 C.ar 1 UNL1 0.3152 16 C -2.4643 -2.9023 0.1033 C.ar 1 UNL1 -0.3193 17 C -0.0545 -2.6418 -0.1246 C.ar 1 UNL1 -0.3316 18 C -1.2192 -3.4103 -0.2520 C.ar 1 UNL1 0.0388 19 C 0.3375 1.9301 -1.1057 C.2 1 UNL1 0.6318 20 C 1.2593 -3.1847 -0.4894 C.ar 1 UNL1 0.5156 21 C 2.1824 -1.0127 0.1738 C.ar 1 UNL1 0.2697 22 C 2.3785 -2.2583 -0.2893 C.ar 1 UNL1 -0.4197 23 C 1.0766 1.2991 -2.2324 C.3 1 UNL1 -0.5109 24 C 3.1723 0.0441 0.3845 C.ar 1 UNL1 -0.0869 25 C 4.2856 0.1318 -0.4577 C.ar 1 UNL1 -0.1201 26 C 2.9874 0.9811 1.4052 C.ar 1 UNL1 -0.0916 27 C 5.2079 1.1581 -0.2783 C.ar 1 UNL1 -0.1604 28 C 3.9128 2.0080 1.5770 C.ar 1 UNL1 -0.1518 29 C 5.0201 2.0977 0.7357 C.ar 1 UNL1 -0.1136 30 H -1.2356 0.8344 2.1623 H 1 UNL1 0.1732 31 H -1.3059 2.6237 0.5964 H 1 UNL1 0.1663 32 H -3.7499 0.4643 2.4264 H 1 UNL1 0.1570 33 H -2.9633 -0.0716 -1.5515 H 1 UNL1 0.1685 34 H -4.3571 0.9252 -1.9763 H 1 UNL1 0.1633 35 H -2.7297 1.3777 -2.5353 H 1 UNL1 0.1603 36 H -4.5849 3.2927 -0.9367 H 1 UNL1 0.1673 37 H -3.4925 3.7846 0.3550 H 1 UNL1 0.1608 38 H -2.9184 3.7601 -1.3258 H 1 UNL1 0.1610 39 H -3.3730 -3.4881 0.0111 H 1 UNL1 0.1857 40 H -1.1291 -4.4326 -0.6396 H 1 UNL1 0.1780 41 H 3.3662 -2.6454 -0.5295 H 1 UNL1 0.1989 42 H 0.5756 0.3989 -2.6241 H 1 UNL1 0.1908 43 H 2.0898 1.0052 -1.9069 H 1 UNL1 0.1905 44 H 1.1958 2.0101 -3.0650 H 1 UNL1 0.1864 45 H 4.4302 -0.5997 -1.2531 H 1 UNL1 0.1608 46 H 2.1184 0.9145 2.0620 H 1 UNL1 0.1666 47 H 6.0758 1.2296 -0.9313 H 1 UNL1 0.1539 48 H 3.7641 2.7457 2.3645 H 1 UNL1 0.1582 49 H 5.7399 2.9045 0.8681 H 1 UNL1 0.1521 @BOND 1 44 23 1 2 42 23 1 3 35 13 1 4 23 43 1 5 23 19 1 6 34 13 1 7 13 33 1 8 13 9 1 9 38 14 1 10 45 25 1 11 19 3 1 12 19 5 2 13 36 14 1 14 47 27 1 15 6 20 2 16 3 8 1 17 40 18 1 18 14 9 1 19 14 37 1 20 41 22 1 21 20 22 ar 22 20 17 ar 23 25 27 ar 24 25 24 ar 25 9 8 1 26 9 1 1 27 22 21 ar 28 27 29 ar 29 18 17 ar 30 18 16 ar 31 17 15 ar 32 39 16 1 33 16 12 ar 34 8 31 1 35 8 7 1 36 21 24 1 37 21 4 ar 38 15 4 ar 39 15 11 ar 40 24 26 ar 41 12 11 ar 42 12 2 1 43 1 10 1 44 11 7 1 45 29 49 1 46 29 28 ar 47 2 10 1 48 7 10 1 49 7 30 1 50 26 28 ar 51 26 46 1 52 10 32 1 53 28 48 1