@MOLECULE 3,9,11-trihydroxy-6-(2-hydroxy-2-propanyl)-10,12-bis(3-methyl-2-buten-1-yl)-6,7-dihydro-8h-chromeno[3,2-d][1]benzoxepin-8-one 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.5037 0.8862 0.3852 C.1 1 UNL1 0.4749 2 C -6.7359 1.2266 0.5034 C.1 1 UNL1 -0.7361 3 C -7.9634 1.5832 0.6149 C.1 1 UNL1 0.4302 4 C -3.3106 -2.2015 -0.0466 C.2 1 UNL1 0.5687 5 C -4.2907 0.5214 0.2509 C.1 1 UNL1 -0.4519 6 C -3.0233 0.2116 0.0628 C.3 1 UNL1 0.2282 7 C 0.5262 -5.4559 -0.8378 C.1 1 UNL1 0.6278 8 O 0.4421 -6.5672 -1.0871 O.2 1 UNL1 -0.1153 9 C 1.1154 1.3679 -3.4262 C.2 1 UNL1 0.4261 10 C 0.5792 -4.1288 -0.5285 C.1 1 UNL1 -0.2499 11 C -0.1474 -2.3990 1.0468 C.3 1 UNL1 0.1636 12 C 1.3164 -3.1736 -1.2501 C.1 1 UNL1 -0.0998 13 C -0.0648 -3.6970 0.6099 C.3 1 UNL1 0.0089 14 C 1.8187 -2.0828 -1.4802 C.2 1 UNL1 0.0372 15 C -1.1963 -1.2962 0.6770 C.3 1 UNL1 -0.0352 16 O 1.0656 0.9113 -4.4679 O.2 1 UNL1 -0.4270 17 C -0.2508 -0.3695 0.9851 C.3 1 UNL1 0.0040 18 C 0.1112 0.9525 0.6087 C.3 1 UNL1 -0.1024 19 C 0.2949 3.9263 0.0097 C.3 1 UNL1 0.6447 20 C 1.6266 1.0933 0.5763 C.3 1 UNL1 -0.2126 21 O 4.6179 3.0857 -1.5609 O.2 2 UNL2 -0.3946 22 C 2.1793 0.4747 1.8693 C.3 1 UNL1 0.2434 23 C 3.5865 2.6552 -1.3398 C.2 2 UNL2 0.4135 24 C 1.9768 -1.0416 2.0204 C.2 1 UNL1 0.4515 25 O 2.8362 -1.7504 2.4789 O.2 1 UNL1 -0.4003 26 C 2.0933 -0.7812 -1.2071 C.3 1 UNL1 -0.0477 27 C 0.6936 -1.4130 1.5315 C.3 1 UNL1 -0.3752 28 C 2.0109 0.2156 -0.5054 C.3 1 UNL1 -0.0252 29 C 2.3116 2.4877 0.4067 C.3 1 UNL1 0.5450 30 C 3.3268 1.8205 3.7650 C.1 1 UNL1 0.3987 31 C 2.7337 1.1897 2.8128 C.1 1 UNL1 -0.6749 32 O 1.5224 3.4915 0.2283 O.3 1 UNL1 -0.5987 33 C -0.8422 1.7699 0.1175 C.3 1 UNL1 0.1581 34 O -0.7060 3.1021 -0.0572 O.3 1 UNL1 -0.4215 35 C -2.5210 -1.1441 0.2052 C.2 1 UNL1 -0.5259 36 C -2.1462 1.3208 -0.4798 C.2 1 UNL1 0.3916 37 O -2.4998 1.8417 -1.5077 O.2 1 UNL1 -0.3219 @BOND 1 16 9 2 2 21 23 2 3 37 36 2 4 14 12 2 5 14 26 1 6 12 10 2 7 26 28 1 8 8 7 2 9 7 10 2 10 10 13 1 11 28 20 1 12 36 6 1 13 36 33 1 14 34 19 1 15 34 33 1 16 4 35 2 17 19 32 1 18 6 35 1 19 6 5 1 20 33 18 1 21 35 15 1 22 32 29 1 23 5 1 3 24 1 2 1 25 29 20 1 26 2 3 3 27 20 18 1 28 20 22 1 29 18 17 1 30 13 11 1 31 15 17 1 32 15 11 1 33 17 27 1 34 11 27 1 35 27 24 1 36 22 24 1 37 22 31 1 38 24 25 2 39 31 30 3