@MOLECULE 1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6848 3.3694 0.5385 O.3 1 UNL11 -0.4734 2 O 1.9538 -1.9218 0.6491 O.3 1 UNL11 -0.4523 3 O -4.0915 2.4554 0.7037 O.2 1 UNL11 -0.4881 4 O -2.3691 -2.5189 -0.0614 O.2 1 UNL11 -0.3894 5 O -6.4639 1.7419 0.3102 O.3 1 UNL11 -0.3888 6 O 4.5266 -2.4992 1.5648 O.3 1 UNL11 -0.5413 7 O 5.0753 -3.1567 -0.4912 O.2 1 UNL11 -0.5055 8 O -7.2676 -2.8932 -0.5955 O.3 1 UNL11 -0.4461 9 O 7.4513 1.6042 -0.1925 O.2 1 UNL11 -0.4526 10 C 0.0314 1.8617 0.0853 C.ar 1 UNL11 -0.1013 11 C 1.0011 2.9952 0.0671 C.3 1 UNL11 -0.2492 12 C 0.4756 0.5583 -0.1241 C.ar 1 UNL11 0.0916 13 C 2.0860 2.7246 -0.9868 C.3 1 UNL11 -0.2964 14 C 1.9091 0.3305 -0.2695 C.ar 1 UNL11 -0.2520 15 C 2.7074 1.3825 -0.7585 C.ar 1 UNL11 0.1642 16 C -1.3465 2.0997 0.2880 C.ar 1 UNL11 0.3523 17 C -2.2848 1.0583 0.2217 C.ar 1 UNL11 -0.3119 18 C -0.4655 -0.4858 -0.2254 C.ar 1 UNL11 -0.2278 19 C -1.8120 -0.2359 -0.0320 C.ar 1 UNL11 -0.0234 20 C 2.5564 -0.8660 0.0746 C.ar 1 UNL11 0.3810 21 C 4.0614 1.1922 -1.0182 C.ar 1 UNL11 -0.3092 22 C 4.6770 -0.0301 -0.7388 C.ar 1 UNL11 0.1753 23 C 3.9302 -1.0577 -0.1602 C.ar 1 UNL11 -0.2921 24 C -3.7220 1.3358 0.3856 C.2 1 UNL11 0.5325 25 C -2.7608 -1.3762 -0.0699 C.2 1 UNL11 0.4338 26 C -4.6699 0.2471 0.1355 C.ar 1 UNL11 -0.3070 27 C -4.2208 -1.0656 -0.0951 C.ar 1 UNL11 0.0292 28 C 6.1345 -0.1828 -1.0220 C.3 1 UNL11 -0.4307 29 C -6.0571 0.4782 0.1117 C.ar 1 UNL11 0.4073 30 C 4.5506 -2.3351 0.2152 C.2 1 UNL11 0.6808 31 C -5.0971 -2.1043 -0.3389 C.ar 1 UNL11 -0.2701 32 C 6.9289 0.5478 0.0509 C.2 1 UNL11 0.5165 33 C -6.4792 -1.8278 -0.3514 C.ar 1 UNL11 0.3848 34 C -6.9822 -0.5520 -0.1280 C.ar 1 UNL11 -0.4827 35 C 7.0214 -0.1107 1.3886 C.3 1 UNL11 -0.5559 36 H 0.4938 3.9609 -0.1450 H 1 UNL11 0.1704 37 H 1.4589 3.1224 1.0724 H 1 UNL11 0.1637 38 H 2.8442 3.5335 -0.9641 H 1 UNL11 0.1620 39 H 1.6443 2.7621 -2.0075 H 1 UNL11 0.1694 40 H -0.1439 -1.4966 -0.4968 H 1 UNL11 0.1854 41 H 4.6581 2.0085 -1.4262 H 1 UNL11 0.1814 42 H 6.4512 -1.2471 -1.0857 H 1 UNL11 0.1963 43 H 6.3838 0.2389 -2.0238 H 1 UNL11 0.1936 44 H -2.6962 3.4479 0.6918 H 1 UNL11 0.3856 45 H -4.7440 -3.1236 -0.5127 H 1 UNL11 0.2061 46 H 1.0172 -1.7459 0.9415 H 1 UNL11 0.3510 47 H -8.0450 -0.3511 -0.1408 H 1 UNL11 0.1751 48 H 7.3783 0.5909 2.1583 H 1 UNL11 0.1819 49 H 6.0509 -0.5061 1.7292 H 1 UNL11 0.1908 50 H 7.7273 -0.9531 1.3685 H 1 UNL11 0.1804 51 H -7.4546 1.8251 0.3372 H 1 UNL11 0.3215 52 H 4.8715 -3.3792 1.8569 H 1 UNL11 0.3491 53 H -8.2329 -2.6677 -0.5956 H 1 UNL11 0.3343 @BOND 1 1 16 1 2 1 44 1 3 2 20 1 4 2 46 1 5 3 24 2 6 4 25 2 7 5 29 1 8 5 51 1 9 6 30 1 10 6 52 1 11 7 30 2 12 8 33 1 13 8 53 1 14 9 32 2 15 10 11 1 16 10 12 ar 17 10 16 ar 18 11 13 1 19 11 36 1 20 11 37 1 21 12 14 1 22 12 18 ar 23 13 15 1 24 13 38 1 25 13 39 1 26 14 15 ar 27 14 20 ar 28 15 21 ar 29 16 17 ar 30 17 19 ar 31 17 24 1 32 18 19 ar 33 18 40 1 34 19 25 1 35 20 23 ar 36 21 22 ar 37 21 41 1 38 22 23 ar 39 22 28 1 40 23 30 1 41 24 26 1 42 25 27 1 43 26 27 ar 44 26 29 ar 45 27 31 ar 46 28 32 1 47 28 42 1 48 28 43 1 49 29 34 ar 50 31 33 ar 51 31 45 1 52 32 35 1 53 33 34 ar 54 34 47 1 55 35 48 1 56 35 49 1 57 35 50 1