@MOLECULE 3,5,6-trihydroxy-2-isobutyryl-4,6-bis(3-methyl-2-buten-1-yl)-2,4-cyclohexadien-1-one 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4500 1.1906 3.1660 O.2 1 UNL1 -0.2957 2 O 0.6141 -1.5812 2.1129 O.2 1 UNL1 -0.3730 3 O -1.5386 0.5753 -1.4273 O.2 1 UNL1 -0.5061 4 O 2.0015 2.4112 1.0039 O.2 1 UNL1 -0.4241 5 O 0.5000 3.3055 -2.1008 O.2 1 UNL1 -0.1562 6 C 0.5641 0.8080 2.0410 C.2 1 UNL1 0.2991 7 C 0.1811 -0.5938 1.5872 C.2 1 UNL1 0.4231 8 C 2.6182 -0.2873 0.1734 C.2 2 UNL2 0.4134 9 C 1.0418 1.6923 0.8968 C.2 1 UNL1 0.4677 10 C -0.7535 -0.6001 0.4469 C.2 1 UNL1 -0.3620 11 C 0.2224 1.6057 -0.3048 C.2 1 UNL1 -0.5677 12 C -0.7623 0.5400 -0.4946 C.2 1 UNL1 0.5993 13 C -1.5608 -1.6215 0.2451 C.1 1 UNL1 0.3063 14 C 0.3721 2.5198 -1.2753 C.1 1 UNL1 0.6350 15 C -4.0246 2.4102 -0.4340 C.1 1 UNL1 -0.9841 16 C 3.7352 -0.7423 -0.2802 C.2 2 UNL2 -0.6966 17 C -2.3923 -2.5857 0.0782 C.2 1 UNL1 -0.3164 18 C 4.6357 -1.1842 -1.3302 C.2 2 UNL2 -0.7421 19 C -2.9966 1.9347 0.1716 C.1 1 UNL1 0.4871 20 C -5.0457 2.8632 -1.0695 C.3 1 UNL1 0.4921 21 C -2.6189 -3.8650 -0.5529 C.2 1 UNL1 -0.8092 22 C 4.9079 -1.4190 -2.5771 C.2 2 UNL2 0.4834 23 C 5.0857 -1.2031 0.0493 C.3 2 UNL2 0.5499 24 C -3.6760 -3.2719 0.2598 C.3 1 UNL1 0.5211 25 C -2.2337 -4.8610 -1.3003 C.2 1 UNL1 0.5555 @BOND 1 22 18 2 2 5 14 2 3 3 12 2 4 18 16 1 5 18 23 1 6 25 21 2 7 14 11 2 8 20 15 1 9 21 17 1 10 21 24 1 11 12 11 1 12 12 10 1 13 15 19 3 14 11 9 1 15 16 23 1 16 16 8 2 17 17 13 2 18 17 24 1 19 13 10 2 20 10 7 1 21 9 4 2 22 9 6 1 23 7 6 1 24 7 2 2 25 6 1 2