@MOLECULE 1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydro-2-anthracenesulfonic acid 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.8463 -3.1385 0.4700 C.ar 1 UNL1111111111 -0.1249 2 N 4.3721 0.3087 -1.0431 N.pl3 1 UNL1111111111 -0.5465 3 O 3.9803 -2.2938 -1.0407 O.2 1 UNL1111111111 -0.4878 4 S 3.4263 3.1759 -0.3575 S.O2 1 UNL1111111111 2.4491 5 C -0.0688 -4.1815 0.5643 C.ar 1 UNL1111111111 -0.0807 6 N -0.3579 0.7055 1.9393 N.pl3 1 UNL1111111111 -0.4979 7 O 2.4702 4.2390 -0.5065 O.2 1 UNL1111111111 -0.8944 8 S -5.6282 0.6682 -0.7954 S.O2 1 UNL1111111111 2.3643 9 C 0.1054 -5.3194 -0.2283 C.ar 1 UNL1111111111 -0.1283 10 N -6.1672 2.3233 -0.7730 N.3 1 UNL1111111111 -0.9441 11 O 4.4539 2.9669 -1.3564 O.2 1 UNL1111111111 -0.9400 12 C 1.1955 -5.4128 -1.0882 C.ar 1 UNL1111111111 -0.1285 13 O 4.2015 3.4718 1.0714 O.3 1 UNL1111111111 -0.8348 14 C 2.1213 -4.3685 -1.1710 C.ar 1 UNL1111111111 -0.0867 15 C 1.9398 -3.2266 -0.3971 C.ar 1 UNL1111111111 -0.1156 16 O -6.5709 -0.0502 0.0338 O.2 1 UNL1111111111 -0.9254 17 C 2.9063 -2.1053 -0.5015 C.2 1 UNL1111111111 0.4927 18 O 0.0518 -1.9312 2.3266 O.2 1 UNL1111111111 -0.4132 19 C 2.4928 -0.7888 0.0045 C.ar 1 UNL1111111111 -0.3198 20 O -5.4398 0.3505 -2.1937 O.2 1 UNL1111111111 -0.9243 21 C 3.2110 0.3992 -0.3584 C.ar 1 UNL1111111111 0.3943 22 C 2.6656 1.6666 0.0260 C.ar 1 UNL1111111111 -0.5577 23 C 1.4913 1.7291 0.7565 C.ar 1 UNL1111111111 0.0562 24 C 0.8324 0.5564 1.1588 C.ar 1 UNL1111111111 0.0128 25 C -1.5841 0.6681 1.2575 C.ar 1 UNL1111111111 0.2757 26 C -2.7573 0.4404 2.0058 C.ar 1 UNL1111111111 -0.3049 27 C -3.9900 0.4548 1.3714 C.ar 1 UNL1111111111 0.0114 28 C -4.0769 0.6918 -0.0028 C.ar 1 UNL1111111111 -0.4591 29 C -2.9159 0.9236 -0.7421 C.ar 1 UNL1111111111 0.0076 30 C -1.6729 0.9153 -0.1250 C.ar 1 UNL1111111111 -0.3097 31 C 1.3557 -0.6876 0.8035 C.ar 1 UNL1111111111 -0.0011 32 C 0.6833 -1.9297 1.2959 C.2 1 UNL1111111111 0.4369 33 H 4.8624 1.1297 -1.3909 H 1 UNL1111111111 0.3538 34 H 4.7426 -0.5981 -1.3023 H 1 UNL1111111111 0.3411 35 H -0.9129 -4.1067 1.2546 H 1 UNL1111111111 0.1754 36 H -0.3267 0.1937 2.8266 H 1 UNL1111111111 0.3201 37 H -0.6153 -6.1354 -0.1669 H 1 UNL1111111111 0.1614 38 H -6.9730 2.5245 -0.2053 H 1 UNL1111111111 0.2917 39 H -6.2422 2.7821 -1.6653 H 1 UNL1111111111 0.2918 40 H 1.3325 -6.3041 -1.7012 H 1 UNL1111111111 0.1593 41 H 2.9857 -4.4425 -1.8366 H 1 UNL1111111111 0.1772 42 H 1.0376 2.6922 1.0482 H 1 UNL1111111111 0.1913 43 H -2.6938 0.2481 3.0732 H 1 UNL1111111111 0.1650 44 H -4.8942 0.2618 1.9637 H 1 UNL1111111111 0.1703 45 H -2.9677 1.1017 -1.8240 H 1 UNL1111111111 0.1688 46 H -0.7763 1.0980 -0.7101 H 1 UNL1111111111 0.1670 47 H 4.4741 4.3778 1.2589 H 1 UNL1111111111 0.3900 @BOND 1 1 5 ar 2 1 15 ar 3 1 32 1 4 2 21 1 5 2 33 1 6 2 34 1 7 3 17 2 8 4 7 2 9 4 11 2 10 4 13 1 11 4 22 1 12 5 9 ar 13 5 35 1 14 6 24 1 15 6 25 1 16 6 36 1 17 8 10 1 18 8 16 2 19 8 20 2 20 8 28 1 21 9 12 ar 22 9 37 1 23 10 38 1 24 10 39 1 25 12 14 ar 26 12 40 1 27 13 47 1 28 14 15 ar 29 14 41 1 30 15 17 1 31 17 19 1 32 18 32 2 33 19 21 ar 34 19 31 ar 35 21 22 ar 36 22 23 ar 37 23 24 ar 38 23 42 1 39 24 31 ar 40 25 26 ar 41 25 30 ar 42 26 27 ar 43 26 43 1 44 27 28 ar 45 27 44 1 46 28 29 ar 47 29 30 ar 48 29 45 1 49 30 46 1 50 31 32 1