@MOLECULE (2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-{[(2r,5r,6r)-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2h)-tetraphenetrione 61 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4278 -0.4382 -0.3613 C.3 1 UNL1 0.1342 2 C 2.4486 0.0460 -1.4514 C.3 1 UNL1 0.2768 3 C 3.9735 1.0375 0.3618 C.3 1 UNL1 0.3228 4 C 2.9772 0.5543 1.4526 C.3 1 UNL1 -0.0198 5 C -0.0869 -2.2969 -0.1475 C.3 1 UNL1 0.3238 6 C -2.4239 -1.9125 0.2608 C.3 1 UNL1 0.1451 7 C -2.7787 -3.1906 -0.5389 C.3 1 UNL1 0.1032 8 C -2.4034 1.5274 2.2113 C.ar 1 UNL1 -0.1775 9 C -4.1673 2.7506 1.0938 C.ar 1 UNL1 -0.2465 10 C -3.6487 2.1872 2.2384 C.ar 1 UNL1 -0.0557 11 C 5.1837 0.1200 0.2547 C.3 1 UNL1 -0.5055 12 C -2.4010 -2.1392 1.7649 C.3 1 UNL1 -0.4882 13 H 4.0170 -0.8292 -2.2857 H 1 UNL1 0.3168 14 H 4.8057 2.3196 1.6224 H 1 UNL1 0.3377 15 H 3.6387 -0.7040 2.8333 H 1 UNL1 0.3435 16 H -3.4149 3.1411 -2.0006 H 1 UNL1 0.3786 17 H -4.2509 -4.5039 -0.3429 H 1 UNL1 0.3154 18 C -3.4281 2.6609 -0.1095 C.ar 1 UNL1 0.3728 19 O 2.1887 -1.6817 1.5529 O.2 1 UNL1 -0.4176 20 O 0.1120 0.3163 2.0416 O.2 1 UNL1 -0.4216 21 O -1.8472 2.4136 -2.4446 O.2 1 UNL1 -0.4906 22 C 3.2436 1.2703 -0.9703 C.3 1 UNL1 -0.3915 23 C -0.3481 -3.5670 -0.9633 C.3 1 UNL1 -0.3321 24 C -1.6428 -4.2195 -0.4873 C.3 1 UNL1 -0.3214 25 O 3.3029 -1.0527 -1.6521 O.3 1 UNL1 -0.5212 26 O 4.4000 2.3367 0.7287 O.3 1 UNL1 -0.5753 27 O 3.7277 0.2528 2.6028 O.3 1 UNL1 -0.5433 28 O -3.9966 3.2421 -1.1718 O.3 1 UNL1 -0.4633 29 O -3.9359 -3.6948 0.1016 O.3 1 UNL1 -0.5577 30 O 0.9535 -1.6661 -0.8681 O.3 1 UNL1 -0.3453 31 C 2.1759 -0.6371 0.9587 C.2 1 UNL1 0.4103 32 C -0.3980 0.7145 1.0185 C.2 1 UNL1 0.4631 33 C -1.4469 1.8963 -1.4157 C.2 1 UNL1 0.4994 34 C -1.6982 1.4338 1.0279 C.ar 1 UNL1 -0.0149 35 C -2.1920 2.0033 -0.1618 C.ar 1 UNL1 -0.3270 36 O -1.1956 -1.4030 -0.2159 O.3 1 UNL1 -0.5037 37 C 1.7274 0.4025 -2.7262 C.2 1 UNL1 -0.1711 38 C 0.4935 0.9244 -2.6902 C.2 1 UNL1 -0.1352 39 C 0.2767 0.5347 -0.2863 C.2 1 UNL1 -0.1168 40 C -0.1873 1.1054 -1.4160 C.2 1 UNL1 -0.0352 41 H 0.1793 -2.4557 0.9158 H 1 UNL1 0.1467 42 H 3.9804 1.5781 -1.7378 H 1 UNL1 0.1714 43 H 2.5731 2.1510 -0.8638 H 1 UNL1 0.1856 44 H 2.3034 1.3902 1.7673 H 1 UNL1 0.1822 45 H 2.2695 0.2152 -3.6468 H 1 UNL1 0.1590 46 H -0.0510 1.2223 -3.5891 H 1 UNL1 0.1801 47 H 5.7113 0.0502 1.2168 H 1 UNL1 0.1683 48 H 4.8972 -0.9028 -0.0266 H 1 UNL1 0.1765 49 H 5.9024 0.4930 -0.4823 H 1 UNL1 0.1547 50 H -1.9995 1.0917 3.1284 H 1 UNL1 0.1824 51 H -0.4053 -3.3077 -2.0405 H 1 UNL1 0.1680 52 H 0.5125 -4.2564 -0.8684 H 1 UNL1 0.1646 53 H -3.1199 -1.0813 -0.0076 H 1 UNL1 0.1436 54 H -5.1270 3.2644 1.0833 H 1 UNL1 0.1813 55 H -4.1991 2.2453 3.1793 H 1 UNL1 0.1574 56 H -1.5333 -4.6086 0.5448 H 1 UNL1 0.1603 57 H -1.8853 -5.0983 -1.1117 H 1 UNL1 0.1441 58 H -3.0402 -2.9298 -1.5878 H 1 UNL1 0.1240 59 H -2.0321 -1.2520 2.2947 H 1 UNL1 0.1593 60 H -3.4131 -2.3645 2.1309 H 1 UNL1 0.1697 61 H -1.7649 -2.9821 2.0551 H 1 UNL1 0.1555 @BOND 1 45 37 1 2 46 38 1 3 37 38 2 4 37 2 1 5 38 40 1 6 21 33 2 7 13 25 1 8 51 23 1 9 16 28 1 10 42 22 1 11 25 2 1 12 58 7 1 13 2 22 1 14 2 1 1 15 40 33 1 16 40 39 2 17 33 35 1 18 28 18 1 19 57 24 1 20 22 43 1 21 22 3 1 22 23 52 1 23 23 24 1 24 23 5 1 25 30 1 1 26 30 5 1 27 7 24 1 28 7 29 1 29 7 6 1 30 24 56 1 31 49 11 1 32 1 39 1 33 1 31 1 34 17 29 1 35 39 32 1 36 36 5 1 37 36 6 1 38 35 18 ar 39 35 34 ar 40 5 41 1 41 18 9 ar 42 48 11 1 43 53 6 1 44 11 3 1 45 11 47 1 46 6 12 1 47 3 26 1 48 3 4 1 49 26 14 1 50 31 4 1 51 31 19 2 52 32 34 1 53 32 20 2 54 34 8 ar 55 54 9 1 56 9 10 ar 57 4 44 1 58 4 27 1 59 12 61 1 60 12 60 1 61 12 59 1 62 8 10 ar 63 8 50 1 64 10 55 1 65 27 15 1