@MOLECULE 4,5-dihydroxy-2,7-naphthalenedisulfonic acid 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.9369 -1.0054 0.1215 S.O2 1 UNL1111 2.4017 2 S 3.9460 -0.9962 -0.1250 S.O2 1 UNL1111 2.4037 3 O 1.2449 3.3383 0.0199 O.3 1 UNL1111 -0.5284 4 O -1.4073 3.3340 -0.0099 O.3 1 UNL1111 -0.4492 5 O -4.1694 -1.1916 -1.5067 O.3 1 UNL1111 -0.8354 6 O 4.1921 -1.1926 1.4992 O.3 1 UNL1111 -0.8344 7 O -3.7162 -2.3382 0.6204 O.2 1 UNL1111 -0.9105 8 O -4.9956 -0.1883 0.6370 O.2 1 UNL1111 -0.8654 9 O 3.7482 -2.3260 -0.6391 O.2 1 UNL1111 -0.9035 10 O 4.9847 -0.1468 -0.6335 O.2 1 UNL1111 -0.8748 11 C -0.0032 -0.0804 0.0112 C.ar 1 UNL1111 0.0484 12 C -0.0051 1.3355 0.0060 C.ar 1 UNL1111 -0.1621 13 C 1.2349 -0.7924 -0.0289 C.ar 1 UNL1111 -0.1250 14 C -1.2295 -0.7900 0.0509 C.ar 1 UNL1111 -0.1583 15 C -2.4259 -0.1107 0.0744 C.ar 1 UNL1111 -0.2853 16 C 2.4254 -0.1203 -0.0678 C.ar 1 UNL1111 -0.2980 17 C 1.2691 1.9791 -0.0210 C.ar 1 UNL1111 0.2934 18 C -1.2667 1.9944 0.0210 C.ar 1 UNL1111 0.2980 19 C -2.4620 1.2901 0.0600 C.ar 1 UNL1111 -0.2168 20 C 2.4587 1.2927 -0.0656 C.ar 1 UNL1111 -0.2695 21 H 1.1885 -1.8888 -0.0369 H 1 UNL1111 0.1852 22 H -1.1912 -1.8857 0.0686 H 1 UNL1111 0.1855 23 H -3.4071 1.8480 0.0821 H 1 UNL1111 0.2095 24 H 3.4127 1.8271 -0.0988 H 1 UNL1111 0.1950 25 H 2.1330 3.7491 -0.1302 H 1 UNL1111 0.3637 26 H -0.5314 3.8032 -0.0343 H 1 UNL1111 0.3545 27 H -4.6292 -1.9875 -1.8002 H 1 UNL1111 0.3884 28 H 4.6695 -1.9822 1.7837 H 1 UNL1111 0.3896 @BOND 1 1 5 1 2 1 7 2 3 1 8 2 4 1 15 1 5 2 6 1 6 2 9 2 7 2 10 2 8 2 16 1 9 3 17 1 10 3 25 1 11 4 18 1 12 4 26 1 13 5 27 1 14 6 28 1 15 11 12 ar 16 11 13 ar 17 11 14 ar 18 12 17 ar 19 12 18 ar 20 13 16 ar 21 13 21 1 22 14 15 ar 23 14 22 1 24 15 19 ar 25 16 20 ar 26 17 20 ar 27 18 19 ar 28 19 23 1 29 20 24 1