@MOLECULE 4-({3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-5-methoxy-2,4,6-trimethylbenzoyl}oxy)-6-hydroxy-2,3-dimethylbenzoic acid 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0863 0.4669 -0.5507 O.3 1 UNL11 -0.4633 2 O -2.1718 0.4968 -0.0514 O.3 1 UNL11 -0.4042 3 O 1.2733 4.7778 0.4003 O.3 1 UNL11 -0.3285 4 O -2.2704 1.4013 -2.1316 O.2 1 UNL11 -0.4502 5 O -6.8165 0.2070 -1.2943 O.3 1 UNL11 -0.4416 6 O 3.2239 0.1458 1.6641 O.2 1 UNL11 -0.4773 7 O 3.8890 -1.4394 -2.0796 O.3 1 UNL11 -0.4637 8 O -8.0881 -1.0857 0.8475 O.3 1 UNL11 -0.5344 9 O 7.7412 -3.7171 -0.6659 O.3 1 UNL11 -0.4564 10 O -7.5326 -3.0732 0.0168 O.2 1 UNL11 -0.5188 11 C -0.3320 1.6875 -0.7119 C.ar 1 UNL11 -0.1813 12 C 0.7423 0.7934 -0.7382 C.ar 1 UNL11 0.0439 13 C -0.1787 3.0197 -0.3151 C.ar 1 UNL11 0.0484 14 C 2.2118 2.6106 0.0326 C.ar 1 UNL11 0.0084 15 C 1.9987 1.2938 -0.3843 C.ar 1 UNL11 0.1509 16 C 1.0959 3.4539 0.0697 C.ar 1 UNL11 0.1135 17 C 0.5694 -0.6243 -1.1468 C.3 1 UNL11 -0.4515 18 C -1.3363 3.9510 -0.3040 C.3 1 UNL11 -0.4564 19 C -1.6756 1.2229 -1.1099 C.2 1 UNL11 0.6365 20 C 3.5639 3.0832 0.4145 C.3 1 UNL11 -0.4404 21 C -3.5151 -1.2150 0.7613 C.ar 1 UNL11 -0.1558 22 C -3.4098 -0.0820 -0.0668 C.ar 1 UNL11 0.3321 23 C -4.7593 -1.8447 0.8740 C.ar 1 UNL11 0.1733 24 C -5.8705 -1.3295 0.1862 C.ar 1 UNL11 -0.3072 25 C -4.4841 0.4432 -0.7723 C.ar 1 UNL11 -0.4258 26 C -5.7141 -0.2039 -0.6312 C.ar 1 UNL11 0.3780 27 C 3.6335 -0.1388 0.5721 C.2 1 UNL11 0.6572 28 C 4.6897 -1.0569 0.1828 C.ar 1 UNL11 -0.4321 29 C -2.3173 -1.7113 1.4943 C.3 1 UNL11 -0.4165 30 C -4.9237 -3.0496 1.7335 C.3 1 UNL11 -0.4728 31 C 5.6785 -1.3880 1.1438 C.ar 1 UNL11 0.2528 32 C 1.1398 4.9994 1.8038 C.3 1 UNL11 -0.1998 33 C 4.7666 -1.6572 -1.0911 C.ar 1 UNL11 0.4560 34 C -7.1930 -1.9532 0.3049 C.2 1 UNL11 0.6869 35 C 6.6924 -2.2797 0.8292 C.ar 1 UNL11 -0.3842 36 C 5.7731 -2.5732 -1.4236 C.ar 1 UNL11 -0.4683 37 C 5.6440 -0.7860 2.5028 C.3 1 UNL11 -0.4757 38 C 6.7220 -2.8611 -0.4491 C.ar 1 UNL11 0.4145 39 H 0.5545 -0.7240 -2.2455 H 1 UNL11 0.1752 40 H -0.3764 -1.0540 -0.7734 H 1 UNL11 0.1782 41 H 1.3696 -1.2785 -0.7694 H 1 UNL11 0.1641 42 H -1.0337 4.9952 -0.1213 H 1 UNL11 0.1765 43 H -2.0679 3.6815 0.4734 H 1 UNL11 0.1677 44 H -1.8681 3.9483 -1.2709 H 1 UNL11 0.1758 45 H 3.6310 4.1825 0.4409 H 1 UNL11 0.1716 46 H 3.8446 2.7079 1.4131 H 1 UNL11 0.1703 47 H 4.3336 2.7301 -0.2907 H 1 UNL11 0.1695 48 H -4.3792 1.3127 -1.4133 H 1 UNL11 0.1997 49 H -1.9553 -2.6616 1.0748 H 1 UNL11 0.1527 50 H -2.5321 -1.8752 2.5605 H 1 UNL11 0.1540 51 H -1.4730 -1.0044 1.4607 H 1 UNL11 0.1677 52 H -3.9961 -3.6292 1.8394 H 1 UNL11 0.1660 53 H -5.2505 -2.7661 2.7463 H 1 UNL11 0.1705 54 H -5.6760 -3.7528 1.3344 H 1 UNL11 0.1865 55 H 1.8859 4.4252 2.3615 H 1 UNL11 0.1326 56 H 0.1284 4.7494 2.1390 H 1 UNL11 0.1329 57 H 1.3281 6.0753 1.8957 H 1 UNL11 0.1462 58 H 7.4643 -2.5420 1.5477 H 1 UNL11 0.1889 59 H 5.7911 -3.0182 -2.4116 H 1 UNL11 0.1935 60 H 5.6113 0.3152 2.4676 H 1 UNL11 0.1773 61 H 4.7330 -1.0938 3.0506 H 1 UNL11 0.1919 62 H 6.5051 -1.0670 3.1232 H 1 UNL11 0.1622 63 H -6.6310 0.9900 -1.8757 H 1 UNL11 0.3343 64 H 3.2397 -0.7019 -1.8686 H 1 UNL11 0.3671 65 H -9.0029 -1.4575 0.9027 H 1 UNL11 0.3446 66 H 7.7299 -4.1021 -1.5796 H 1 UNL11 0.3361 @BOND 1 1 15 1 2 1 27 1 3 2 19 1 4 2 22 1 5 3 16 1 6 3 32 1 7 4 19 2 8 5 26 1 9 5 63 1 10 6 27 2 11 7 33 1 12 7 64 1 13 8 34 1 14 8 65 1 15 9 38 1 16 9 66 1 17 10 34 2 18 11 12 ar 19 11 13 ar 20 11 19 1 21 12 15 ar 22 12 17 1 23 13 16 ar 24 13 18 1 25 14 15 ar 26 14 16 ar 27 14 20 1 28 17 39 1 29 17 40 1 30 17 41 1 31 18 42 1 32 18 43 1 33 18 44 1 34 20 45 1 35 20 46 1 36 20 47 1 37 21 22 ar 38 21 23 ar 39 21 29 1 40 22 25 ar 41 23 24 ar 42 23 30 1 43 24 26 ar 44 24 34 1 45 25 26 ar 46 25 48 1 47 27 28 1 48 28 31 ar 49 28 33 ar 50 29 49 1 51 29 50 1 52 29 51 1 53 30 52 1 54 30 53 1 55 30 54 1 56 31 35 ar 57 31 37 1 58 32 55 1 59 32 56 1 60 32 57 1 61 33 36 ar 62 35 38 ar 63 35 58 1 64 36 38 ar 65 36 59 1 66 37 60 1 67 37 61 1 68 37 62 1