@MOLECULE 7,7',9,9',10,10'-hexahydroxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1h,1'h-8,8'-bibenzo[g]isochromene-1,1'-dione 60 65 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4893 -1.9494 1.5384 C.ar 1 UNL111 -0.4606 2 C -1.6318 -0.0930 -0.3777 C.ar 1 UNL111 0.4044 3 C -0.6978 -0.9744 0.1634 C.ar 1 UNL111 -0.2826 4 C -1.1643 -1.8920 1.1364 C.ar 1 UNL111 0.3959 5 O -1.1239 0.8070 -1.2268 O.3 1 UNL111 -0.4257 6 O -0.2203 -2.7073 1.6405 O.3 1 UNL111 -0.4200 7 C -3.0118 -0.1334 -0.0215 C.ar 1 UNL111 -0.3532 8 C -3.4299 -1.0744 0.9642 C.ar 1 UNL111 0.2523 9 C -4.7967 -1.1187 1.3721 C.ar 1 UNL111 -0.3320 10 C -4.0117 0.7102 -0.5822 C.ar 1 UNL111 0.4856 11 C -5.3481 0.6376 -0.1977 C.ar 1 UNL111 -0.4527 12 C -5.7252 -0.2832 0.8134 C.ar 1 UNL111 0.1899 13 C -7.1528 -0.2625 1.2472 C.3 1 UNL111 -0.3711 14 C -8.0578 0.1015 0.0662 C.3 1 UNL111 0.1616 15 O -7.6504 1.3405 -0.5404 O.3 1 UNL111 -0.3839 16 C -6.3366 1.5177 -0.8017 C.2 1 UNL111 0.6535 17 O -6.0516 2.4481 -1.5426 O.2 1 UNL111 -0.5323 18 C -9.4915 0.3780 0.4924 C.3 1 UNL111 -0.4737 19 O -3.6159 1.5821 -1.5133 O.3 1 UNL111 -0.5382 20 C 0.6989 -0.9718 -0.2358 C.ar 1 UNL111 -0.2774 21 C 1.1869 -1.8991 -1.1934 C.ar 1 UNL111 0.3967 22 C 2.5232 -1.9704 -1.5365 C.ar 1 UNL111 -0.3842 23 C 1.6216 -0.1024 0.3225 C.ar 1 UNL111 0.4136 24 O 0.3636 -2.7649 -1.8208 O.3 1 UNL111 -0.4522 25 O 1.2246 0.8094 1.2454 O.3 1 UNL111 -0.5189 26 C 3.0056 -0.1130 0.0016 C.ar 1 UNL111 -0.3266 27 C 3.4472 -1.0883 -0.9387 C.ar 1 UNL111 0.2281 28 C 4.8270 -1.1651 -1.2770 C.ar 1 UNL111 -0.3379 29 C 3.9796 0.7862 0.5377 C.ar 1 UNL111 0.4435 30 O 3.6730 1.7386 1.4230 O.3 1 UNL111 -0.4025 31 C 5.3209 0.7165 0.1740 C.ar 1 UNL111 -0.3882 32 C 5.7326 -0.2934 -0.7306 C.ar 1 UNL111 0.1839 33 C 7.1869 -0.3603 -1.0616 C.3 1 UNL111 -0.3713 34 C 7.9924 0.0415 0.1822 C.3 1 UNL111 0.1696 35 O 7.6262 1.3509 0.6028 O.3 1 UNL111 -0.4418 36 C 6.2956 1.6883 0.6707 C.2 1 UNL111 0.6313 37 O 6.0811 2.7872 1.1107 O.2 1 UNL111 -0.4324 38 C 9.4859 0.1508 -0.1034 C.3 1 UNL111 -0.4749 39 H -2.8122 -2.6593 2.2913 H 1 UNL111 0.1778 40 H -1.8277 1.4087 -1.6134 H 1 UNL111 0.3669 41 H -0.5807 -3.3253 2.3310 H 1 UNL111 0.3308 42 H -5.0781 -1.8311 2.1435 H 1 UNL111 0.1720 43 H -7.2714 0.4802 2.0703 H 1 UNL111 0.1865 44 H -7.4708 -1.2311 1.6829 H 1 UNL111 0.1733 45 H -8.0005 -0.6671 -0.7392 H 1 UNL111 0.1370 46 H -9.5465 1.1828 1.2381 H 1 UNL111 0.1672 47 H -9.9655 -0.5145 0.9145 H 1 UNL111 0.1580 48 H -10.0986 0.7078 -0.3648 H 1 UNL111 0.1731 49 H -4.3857 2.2176 -1.8024 H 1 UNL111 0.4217 50 H 2.8583 -2.7015 -2.2666 H 1 UNL111 0.1868 51 H -0.5849 -2.6327 -1.5584 H 1 UNL111 0.3352 52 H 0.2419 0.9537 1.2364 H 1 UNL111 0.3666 53 H 5.1422 -1.9320 -1.9785 H 1 UNL111 0.1688 54 H 2.6958 1.7607 1.6295 H 1 UNL111 0.3513 55 H 7.4102 0.3319 -1.9039 H 1 UNL111 0.1806 56 H 7.4922 -1.3637 -1.4131 H 1 UNL111 0.1643 57 H 7.7824 -0.6425 1.0359 H 1 UNL111 0.1287 58 H 9.6885 0.8681 -0.9093 H 1 UNL111 0.1625 59 H 9.9158 -0.8150 -0.3824 H 1 UNL111 0.1484 60 H 10.0223 0.5209 0.7825 H 1 UNL111 0.1671 @BOND 1 50 22 1 2 53 28 1 3 55 33 1 4 24 51 1 5 24 21 1 6 49 19 1 7 40 5 1 8 17 16 2 9 22 21 ar 10 22 27 ar 11 19 10 1 12 56 33 1 13 28 27 ar 14 28 32 ar 15 5 2 1 16 21 20 ar 17 33 32 1 18 33 34 1 19 27 26 ar 20 58 38 1 21 16 15 1 22 16 11 1 23 45 14 1 24 32 31 ar 25 10 11 ar 26 10 7 ar 27 15 14 1 28 59 38 1 29 2 7 ar 30 2 3 ar 31 48 18 1 32 20 3 1 33 20 23 ar 34 11 12 ar 35 38 34 1 36 38 60 1 37 7 8 ar 38 26 23 ar 39 26 29 ar 40 14 18 1 41 14 13 1 42 3 4 ar 43 31 29 ar 44 31 36 1 45 34 35 1 46 34 57 1 47 23 25 1 48 18 47 1 49 18 46 1 50 29 30 1 51 35 36 1 52 36 37 2 53 12 13 1 54 12 9 ar 55 8 9 ar 56 8 1 ar 57 4 1 ar 58 4 6 1 59 52 25 1 60 13 44 1 61 13 43 1 62 9 42 1 63 30 54 1 64 1 39 1 65 6 41 1