@MOLECULE 1-amino-4-anilino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6044 -2.7429 -0.0494 S.O2 1 UNL1111111111 2.4445 2 O 1.6850 2.2819 -1.3515 O.2 1 UNL1111111111 -0.4412 3 O 2.9115 -2.5997 0.0505 O.2 1 UNL1111111111 -0.4998 4 O -2.9278 -2.4127 1.5393 O.3 1 UNL1111111111 -0.8374 5 O -3.7749 -2.3184 -0.7680 O.2 1 UNL1111111111 -0.8946 6 O -2.1604 -4.1183 -0.1132 O.2 1 UNL1111111111 -0.9344 7 N -0.9498 1.9155 -1.1157 N.pl3 1 UNL1111111111 -0.5038 8 N 0.4255 -3.3894 0.0083 N.pl3 1 UNL1111111111 -0.5619 9 C 0.7870 0.2382 -0.5730 C.ar 1 UNL1111111111 -0.0533 10 C 1.1251 -1.0903 -0.2717 C.ar 1 UNL1111111111 -0.3118 11 C -0.5475 0.6163 -0.7289 C.ar 1 UNL1111111111 0.0905 12 C 0.1066 -2.0869 -0.1780 C.ar 1 UNL1111111111 0.3784 13 C -1.2611 -1.6698 -0.2907 C.ar 1 UNL1111111111 -0.5231 14 C 3.1793 0.9608 -0.1331 C.ar 1 UNL1111111111 -0.1218 15 C 3.5045 -0.3548 0.2016 C.ar 1 UNL1111111111 -0.1132 16 C 1.8652 1.2519 -0.7373 C.2 1 UNL1111111111 0.4532 17 C 2.5254 -1.4467 -0.0204 C.2 1 UNL1111111111 0.4926 18 C -1.5633 -0.3580 -0.5820 C.ar 1 UNL1111111111 0.0125 19 C 4.0942 1.9891 0.0772 C.ar 1 UNL1111111111 -0.0840 20 C 4.7519 -0.6470 0.7467 C.ar 1 UNL1111111111 -0.0908 21 C -1.8213 2.6589 -0.2924 C.ar 1 UNL1111111111 0.2248 22 C 5.3402 1.6965 0.6358 C.ar 1 UNL1111111111 -0.1369 23 C 5.6677 0.3843 0.9674 C.ar 1 UNL1111111111 -0.1314 24 C -2.2452 3.9103 -0.7790 C.ar 1 UNL1111111111 -0.2574 25 C -2.2988 2.1876 0.9396 C.ar 1 UNL1111111111 -0.2763 26 C -3.1577 4.6568 -0.0462 C.ar 1 UNL1111111111 -0.0772 27 C -3.2153 2.9510 1.6562 C.ar 1 UNL1111111111 -0.0834 28 C -3.6513 4.1801 1.1691 C.ar 1 UNL1111111111 -0.2187 29 H -2.6057 -0.0221 -0.7296 H 1 UNL1111111111 0.1941 30 H -0.2379 2.4576 -1.6154 H 1 UNL1111111111 0.3339 31 H 3.8336 3.0138 -0.1997 H 1 UNL1111111111 0.1758 32 H 5.0062 -1.6811 0.9946 H 1 UNL1111111111 0.1773 33 H -0.2789 -4.1186 0.0579 H 1 UNL1111111111 0.3512 34 H 1.3955 -3.6730 0.0680 H 1 UNL1111111111 0.3413 35 H 6.0575 2.4986 0.8076 H 1 UNL1111111111 0.1580 36 H 6.6428 0.1573 1.3982 H 1 UNL1111111111 0.1573 37 H -1.8670 4.2823 -1.7280 H 1 UNL1111111111 0.1650 38 H -1.9466 1.2461 1.3527 H 1 UNL1111111111 0.1658 39 H -3.8281 -2.5596 1.8530 H 1 UNL1111111111 0.3895 40 H -3.4917 5.6230 -0.4240 H 1 UNL1111111111 0.1481 41 H -3.5898 2.5813 2.6107 H 1 UNL1111111111 0.1466 42 H -4.3681 4.7687 1.7341 H 1 UNL1111111111 0.1524 @BOND 1 1 4 1 2 1 5 2 3 1 6 2 4 1 13 1 5 2 16 2 6 3 17 2 7 4 39 1 8 7 11 1 9 7 21 1 10 7 30 1 11 8 12 1 12 8 33 1 13 8 34 1 14 9 10 ar 15 9 11 ar 16 9 16 1 17 10 12 ar 18 10 17 1 19 11 18 ar 20 12 13 ar 21 13 18 ar 22 14 15 ar 23 14 16 1 24 14 19 ar 25 15 17 1 26 15 20 ar 27 18 29 1 28 19 22 ar 29 19 31 1 30 20 23 ar 31 20 32 1 32 21 24 ar 33 21 25 ar 34 22 23 ar 35 22 35 1 36 23 36 1 37 24 26 ar 38 24 37 1 39 25 27 ar 40 25 38 1 41 26 28 ar 42 26 40 1 43 27 28 ar 44 27 41 1 45 28 42 1