@MOLECULE 1-amino-4-((4-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid 71 76 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.0788 -1.6775 -1.6170 C.ar 1 UNL1111111111 -0.5152 2 S -4.7409 -2.8749 -2.8325 S.O2 1 UNL1111111111 2.4425 3 O -3.3454 -2.8837 -3.1804 O.2 1 UNL1111111111 -0.8986 4 O -5.4347 -4.1046 -2.5205 O.2 1 UNL1111111111 -0.9278 5 O -5.5140 -2.1978 -4.1253 O.3 1 UNL1111111111 -0.8329 6 C -6.1886 -1.7662 -0.7135 C.ar 1 UNL1111111111 0.3734 7 N -7.0202 -2.8342 -0.7437 N.pl3 1 UNL1111111111 -0.5587 8 C -6.3952 -0.6984 0.2133 C.ar 1 UNL1111111111 -0.3040 9 C -7.4979 -0.7731 1.1788 C.2 1 UNL1111111111 0.4911 10 O -8.3488 -1.6449 1.1383 O.2 1 UNL1111111111 -0.4987 11 C -7.5672 0.2254 2.2715 C.ar 1 UNL1111111111 -0.1133 12 C -8.4793 0.0482 3.3089 C.ar 1 UNL1111111111 -0.0887 13 C -8.5396 0.9832 4.3451 C.ar 1 UNL1111111111 -0.1292 14 C -7.6953 2.0900 4.3404 C.ar 1 UNL1111111111 -0.1356 15 C -6.7887 2.2756 3.2944 C.ar 1 UNL1111111111 -0.0805 16 C -6.7286 1.3411 2.2635 C.ar 1 UNL1111111111 -0.1244 17 C -5.7963 1.5473 1.1407 C.2 1 UNL1111111111 0.4564 18 O -5.2773 2.6323 0.9750 O.2 1 UNL1111111111 -0.4509 19 C -5.5300 0.4078 0.2195 C.ar 1 UNL1111111111 -0.0607 20 C -4.4300 0.4577 -0.6424 C.ar 1 UNL1111111111 0.0915 21 C -4.2351 -0.5915 -1.5721 C.ar 1 UNL1111111111 -0.0058 22 N -3.5592 1.5653 -0.7213 N.pl3 1 UNL1111111111 -0.5030 23 C 0.0233 2.4017 -0.9885 C.ar 1 UNL1111111111 -0.3976 24 S 0.9021 3.8633 -1.3626 S.O2 1 UNL1111111111 2.4249 25 O 0.6050 4.9243 -0.4492 O.2 1 UNL1111111111 -0.8534 26 O 2.2707 3.5416 -1.7109 O.2 1 UNL1111111111 -0.9386 27 O 0.1726 4.2289 -2.8033 O.3 1 UNL1111111111 -0.8409 28 C 0.6347 1.1549 -0.7705 C.ar 1 UNL1111111111 0.2166 29 C -0.1714 0.0369 -0.4861 C.ar 1 UNL1111111111 -0.1395 30 C -1.5474 0.1533 -0.4176 C.ar 1 UNL1111111111 -0.1795 31 C -2.1639 1.3916 -0.6686 C.ar 1 UNL1111111111 0.1708 32 C -1.3642 2.5143 -0.9349 C.ar 1 UNL1111111111 -0.1464 33 N 2.0386 1.0172 -0.8940 N.pl3 1 UNL1111111111 -0.4559 34 N 2.2434 -0.6600 0.8099 N.ar 1 UNL1111111111 -0.5899 35 C 3.1133 -1.4457 1.4649 C.ar 1 UNL1111111111 0.4058 36 CL 2.4696 -2.4624 2.6625 Cl 1 UNL1111111111 0.0470 37 N 4.4426 -1.5136 1.2697 N.ar 1 UNL1111111111 -0.5954 38 C 4.9352 -0.6822 0.2866 C.ar 1 UNL1111111111 0.5771 39 N 4.1411 0.1597 -0.4436 N.ar 1 UNL1111111111 -0.6099 40 C 2.8017 0.1546 -0.1567 C.ar 1 UNL1111111111 0.5723 41 N 6.2710 -0.6369 -0.0290 N.pl3 1 UNL1111111111 -0.4735 42 C 8.6050 -0.8341 0.6465 C.ar 1 UNL1111111111 -0.4912 43 S 9.1006 0.6278 -0.1474 S.O2 1 UNL1111111111 2.4335 44 O 7.9858 1.2115 -0.8696 O.2 1 UNL1111111111 -0.9419 45 O 9.9434 1.4335 0.6855 O.2 1 UNL1111111111 -0.8624 46 O 10.0589 -0.0307 -1.3267 O.3 1 UNL1111111111 -0.8415 47 C 7.2928 -1.3531 0.6296 C.ar 1 UNL1111111111 0.3046 48 C 7.0401 -2.5996 1.2312 C.ar 1 UNL1111111111 -0.2255 49 C 8.0532 -3.2817 1.8863 C.ar 1 UNL1111111111 -0.0434 50 C 9.3429 -2.7482 1.9450 C.ar 1 UNL1111111111 -0.2234 51 C 9.6106 -1.5389 1.3197 C.ar 1 UNL1111111111 -0.0178 52 H -5.1891 -2.4133 -5.0087 H 1 UNL1111111111 0.3914 53 H -7.8133 -2.8816 -0.1155 H 1 UNL1111111111 0.3427 54 H -6.8426 -3.6420 -1.3318 H 1 UNL1111111111 0.3502 55 H -9.1445 -0.8201 3.3036 H 1 UNL1111111111 0.1788 56 H -9.2537 0.8433 5.1569 H 1 UNL1111111111 0.1590 57 H -7.7418 2.8175 5.1508 H 1 UNL1111111111 0.1601 58 H -6.1313 3.1492 3.2756 H 1 UNL1111111111 0.1777 59 H -3.3836 -0.4942 -2.2690 H 1 UNL1111111111 0.1915 60 H -3.9254 2.4419 -0.3350 H 1 UNL1111111111 0.3409 61 H 0.6894 4.7190 -3.4538 H 1 UNL1111111111 0.3908 62 H 0.2851 -0.9433 -0.3107 H 1 UNL1111111111 0.1956 63 H -2.1428 -0.7221 -0.1562 H 1 UNL1111111111 0.1692 64 H -1.8593 3.4767 -1.1135 H 1 UNL1111111111 0.1823 65 H 2.5641 1.7130 -1.4805 H 1 UNL1111111111 0.3942 66 H 6.5446 0.1334 -0.6996 H 1 UNL1111111111 0.3985 67 H 10.1198 0.4419 -2.1658 H 1 UNL1111111111 0.3908 68 H 6.0408 -3.0430 1.1934 H 1 UNL1111111111 0.2009 69 H 7.8395 -4.2419 2.3584 H 1 UNL1111111111 0.1508 70 H 10.1301 -3.2815 2.4714 H 1 UNL1111111111 0.1559 71 H 10.6331 -1.1417 1.3656 H 1 UNL1111111111 0.1667 @BOND 1 1 2 1 2 1 6 ar 3 1 21 ar 4 2 3 2 5 2 4 2 6 2 5 1 7 5 52 1 8 6 7 1 9 6 8 ar 10 7 53 1 11 7 54 1 12 8 9 1 13 8 19 ar 14 9 10 2 15 9 11 1 16 11 12 ar 17 11 16 ar 18 12 13 ar 19 12 55 1 20 13 14 ar 21 13 56 1 22 14 15 ar 23 14 57 1 24 15 16 ar 25 15 58 1 26 16 17 1 27 17 18 2 28 17 19 1 29 19 20 ar 30 20 21 ar 31 20 22 1 32 21 59 1 33 22 31 1 34 22 60 1 35 23 24 1 36 23 28 ar 37 23 32 ar 38 24 25 2 39 24 26 2 40 24 27 1 41 27 61 1 42 28 29 ar 43 28 33 1 44 29 30 ar 45 29 62 1 46 30 31 ar 47 30 63 1 48 31 32 ar 49 32 64 1 50 33 40 1 51 33 65 1 52 34 35 ar 53 34 40 ar 54 35 36 1 55 35 37 ar 56 37 38 ar 57 38 39 ar 58 38 41 1 59 39 40 ar 60 41 47 1 61 41 66 1 62 42 43 1 63 42 47 ar 64 42 51 ar 65 43 44 2 66 43 45 2 67 43 46 1 68 46 67 1 69 47 48 ar 70 48 49 ar 71 48 68 1 72 49 50 ar 73 49 69 1 74 50 51 ar 75 50 70 1 76 51 71 1