@MOLECULE (7s,8r)-8-isobutyl-8-methyl-3-(2-methyl-3-buten-2-yl)-2-oxo-7,8-dihydro-2h,6h-pyrano[3,2-g]chromen-7-yl acetate 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.2324 -0.7535 0.9559 O.3 1 UNL1 -0.3242 2 O 3.4482 1.8331 0.4877 O.3 1 UNL1 -0.4222 3 O -2.3773 -1.1619 1.2257 O.2 1 UNL1 -0.3607 4 O 4.4233 3.2701 -0.9416 O.2 1 UNL1 -0.5168 5 O -4.5042 -1.4606 1.4987 O.2 1 UNL1 -0.4106 6 C 3.4256 -0.5184 0.1956 C.3 1 UNL1 0.2599 7 C 3.3925 0.8431 -0.5402 C.3 1 UNL1 0.0614 8 C 3.5596 -1.6222 -0.8662 C.3 1 UNL1 -0.3522 9 C 2.1046 1.0565 -1.3350 C.3 1 UNL1 -0.3022 10 C 3.7574 -3.0446 -0.3143 C.3 1 UNL1 -0.0407 11 C 4.5049 -0.5400 1.2725 C.3 1 UNL1 -0.4703 12 C 0.9070 0.4822 -0.6645 C.ar 1 UNL1 -0.1762 13 C 1.0470 -0.4105 0.4208 C.ar 1 UNL1 0.3194 14 C -0.3601 0.8247 -1.0966 C.ar 1 UNL1 -0.0352 15 C 2.5492 -3.5057 0.5063 C.3 1 UNL1 -0.4537 16 C 3.9760 -4.0008 -1.4998 C.3 1 UNL1 -0.4599 17 C -0.0603 -0.9708 1.0600 C.ar 1 UNL1 -0.3536 18 C -1.4994 0.2848 -0.4792 C.ar 1 UNL1 -0.2491 19 C -1.3254 -0.6036 0.5935 C.ar 1 UNL1 0.3348 20 C -2.8331 0.6055 -0.8953 C.ar 1 UNL1 -0.0227 21 C -5.3291 0.3346 -0.6951 C.3 1 UNL1 0.1131 22 C -3.9039 0.0609 -0.2761 C.ar 1 UNL1 -0.2123 23 C 3.9833 3.0373 0.1544 C.2 1 UNL1 0.6257 24 C -3.7004 -0.8663 0.8344 C.ar 1 UNL1 0.5909 25 C -5.4031 1.3246 -1.8780 C.3 1 UNL1 -0.4577 26 C -5.9682 -0.9966 -1.1326 C.3 1 UNL1 -0.4637 27 C 3.9264 3.9369 1.3385 C.3 1 UNL1 -0.5119 28 C -6.1475 0.9557 0.4128 C.2 1 UNL1 -0.1279 29 C -5.6434 1.7284 1.3734 C.2 1 UNL1 -0.3234 30 H 4.2846 0.9532 -1.2032 H 1 UNL1 0.1551 31 H 4.4136 -1.3753 -1.5275 H 1 UNL1 0.1487 32 H 2.6529 -1.6178 -1.5053 H 1 UNL1 0.1614 33 H 1.9719 2.1507 -1.5043 H 1 UNL1 0.1746 34 H 2.2098 0.6249 -2.3551 H 1 UNL1 0.1620 35 H 4.6661 -3.0619 0.3334 H 1 UNL1 0.1285 36 H 4.4501 -1.4613 1.8699 H 1 UNL1 0.1686 37 H 5.5065 -0.4705 0.8407 H 1 UNL1 0.1575 38 H 4.3772 0.2946 1.9781 H 1 UNL1 0.1739 39 H -0.4856 1.5213 -1.9254 H 1 UNL1 0.1542 40 H 1.6064 -3.3181 -0.0187 H 1 UNL1 0.1518 41 H 2.4898 -2.9697 1.4656 H 1 UNL1 0.1574 42 H 2.6015 -4.5750 0.7301 H 1 UNL1 0.1415 43 H 3.1046 -4.0199 -2.1625 H 1 UNL1 0.1474 44 H 4.1406 -5.0252 -1.1479 H 1 UNL1 0.1448 45 H 4.8473 -3.7162 -2.0937 H 1 UNL1 0.1389 46 H 0.0508 -1.6632 1.8910 H 1 UNL1 0.1998 47 H -2.9343 1.3037 -1.7295 H 1 UNL1 0.1620 48 H -6.4468 1.5243 -2.1451 H 1 UNL1 0.1503 49 H -4.9114 0.9321 -2.7718 H 1 UNL1 0.1465 50 H -4.9518 2.2910 -1.6219 H 1 UNL1 0.1493 51 H -5.3392 -1.5190 -1.8624 H 1 UNL1 0.1491 52 H -6.1098 -1.6688 -0.2740 H 1 UNL1 0.1713 53 H -6.9491 -0.8382 -1.5926 H 1 UNL1 0.1464 54 H -7.2159 0.7390 0.3556 H 1 UNL1 0.1454 55 H 4.4158 3.4832 2.2151 H 1 UNL1 0.1871 56 H 2.8861 4.1494 1.6354 H 1 UNL1 0.1909 57 H 4.4239 4.8952 1.1267 H 1 UNL1 0.1854 58 H -6.2450 2.1749 2.1480 H 1 UNL1 0.1452 59 H -4.5960 1.9607 1.4699 H 1 UNL1 0.1471 @BOND 1 49 25 1 2 34 9 1 3 43 16 1 4 48 25 1 5 45 16 1 6 39 14 1 7 25 50 1 8 25 21 1 9 51 26 1 10 47 20 1 11 53 26 1 12 31 8 1 13 32 8 1 14 33 9 1 15 16 44 1 16 16 10 1 17 9 12 1 18 9 7 1 19 30 7 1 20 26 21 1 21 26 52 1 22 14 12 ar 23 14 18 ar 24 4 23 2 25 20 18 ar 26 20 22 ar 27 8 10 1 28 8 6 1 29 21 22 1 30 21 28 1 31 12 13 ar 32 7 6 1 33 7 2 1 34 18 19 ar 35 10 35 1 36 10 15 1 37 22 24 ar 38 40 15 1 39 23 2 1 40 23 27 1 41 6 1 1 42 6 11 1 43 54 28 1 44 28 29 2 45 13 1 1 46 13 17 ar 47 15 42 1 48 15 41 1 49 19 17 ar 50 19 3 ar 51 24 3 ar 52 24 5 2 53 37 11 1 54 17 46 1 55 57 27 1 56 11 36 1 57 11 38 1 58 27 56 1 59 27 55 1 60 29 59 1 61 29 58 1