@MOLECULE (2e,3z)-1,1-diamino-2-(2-hydroxybenzylidene)-4-(2-hydroxyphenyl)-3-butene-1,3-disulfonic acid 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.5791 -0.3869 0.8695 S.O2 1 UNL1111111111111 2.2952 2 S 0.5577 -1.6389 -1.5185 S.O2 1 UNL1111111111111 2.4624 3 O -4.6547 -1.6277 0.6694 O.3 1 UNL1111111111111 -0.8193 4 O -2.9940 -0.5817 2.1656 O.2 1 UNL1111111111111 -0.8563 5 O -4.2573 0.8174 0.4731 O.2 1 UNL1111111111111 -0.8953 6 O 1.8613 -0.8188 -2.1769 O.3 1 UNL1111111111111 -0.8751 7 O -0.4423 -1.6579 -2.5653 O.2 1 UNL1111111111111 -0.9230 8 O 1.1423 -2.8616 -1.0257 O.2 1 UNL1111111111111 -0.9042 9 O -1.1897 3.2982 1.3802 O.3 1 UNL1111111111111 -0.4546 10 O 1.8459 -1.8066 2.6247 O.3 1 UNL1111111111111 -0.4612 11 N -3.0213 -0.8839 -1.6754 N.3 1 UNL1111111111111 -0.6614 12 N -1.7578 -2.1808 -0.1059 N.3 1 UNL1111111111111 -0.6711 13 C -2.2970 -0.8387 -0.3910 C.3 1 UNL1111111111111 0.0984 14 C -1.1346 0.1465 -0.3894 C.2 1 UNL1111111111111 -0.0772 15 C 0.1940 -0.4555 -0.2793 C.2 1 UNL1111111111111 -0.3598 16 C -1.3039 1.4683 -0.5522 C.2 1 UNL1111111111111 -0.1050 17 C 1.0491 -0.0839 0.6835 C.2 1 UNL1111111111111 0.0216 18 C -0.2075 2.4357 -0.5412 C.ar 1 UNL1111111111111 -0.1228 19 C 2.4430 -0.5048 0.7883 C.ar 1 UNL1111111111111 -0.1716 20 C -0.1815 3.4034 0.4795 C.ar 1 UNL1111111111111 0.2778 21 C 0.8093 2.4552 -1.4929 C.ar 1 UNL1111111111111 -0.0784 22 C 2.8414 -1.3852 1.8054 C.ar 1 UNL1111111111111 0.3158 23 C 3.4153 -0.0076 -0.0795 C.ar 1 UNL1111111111111 -0.0511 24 C 0.8077 4.3816 0.5501 C.ar 1 UNL1111111111111 -0.3191 25 C 1.8145 3.4222 -1.4331 C.ar 1 UNL1111111111111 -0.2283 26 C 1.8074 4.3814 -0.4227 C.ar 1 UNL1111111111111 -0.0690 27 C 4.1736 -1.7699 1.9716 C.ar 1 UNL1111111111111 -0.3116 28 C 4.7488 -0.3869 0.0681 C.ar 1 UNL1111111111111 -0.2379 29 C 5.1235 -1.2620 1.0869 C.ar 1 UNL1111111111111 -0.0573 30 H -2.2954 1.9305 -0.6689 H 1 UNL1111111111111 0.1857 31 H -2.4940 -1.4306 -2.3672 H 1 UNL1111111111111 0.3082 32 H -3.1508 0.0419 -2.0690 H 1 UNL1111111111111 0.2663 33 H -1.5339 -2.3267 0.8724 H 1 UNL1111111111111 0.2901 34 H -2.3503 -2.9318 -0.4469 H 1 UNL1111111111111 0.2880 35 H 0.7261 0.6090 1.4787 H 1 UNL1111111111111 0.1787 36 H -5.4016 -1.4560 0.0780 H 1 UNL1111111111111 0.3900 37 H 0.8215 1.7041 -2.2878 H 1 UNL1111111111111 0.1754 38 H 3.1281 0.6885 -0.8752 H 1 UNL1111111111111 0.1732 39 H 0.8069 5.1243 1.3396 H 1 UNL1111111111111 0.1654 40 H 2.6043 3.4253 -2.1809 H 1 UNL1111111111111 0.1583 41 H 2.6477 -1.3432 -2.3587 H 1 UNL1111111111111 0.3856 42 H 2.5863 5.1438 -0.3899 H 1 UNL1111111111111 0.1521 43 H 4.4558 -2.4478 2.7681 H 1 UNL1111111111111 0.1607 44 H 5.4991 0.0007 -0.6152 H 1 UNL1111111111111 0.1544 45 H 6.1682 -1.5531 1.1957 H 1 UNL1111111111111 0.1478 46 H -1.1579 3.9993 2.0749 H 1 UNL1111111111111 0.3285 47 H 2.1469 -2.5119 3.2492 H 1 UNL1111111111111 0.3309 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 13 1 5 2 6 1 6 2 7 2 7 2 8 2 8 2 15 1 9 3 36 1 10 6 41 1 11 9 20 1 12 9 46 1 13 10 22 1 14 10 47 1 15 11 13 1 16 11 31 1 17 11 32 1 18 12 13 1 19 12 33 1 20 12 34 1 21 13 14 1 22 14 15 1 23 14 16 2 24 15 17 2 25 16 18 1 26 16 30 1 27 17 19 1 28 17 35 1 29 18 20 ar 30 18 21 ar 31 19 22 ar 32 19 23 ar 33 20 24 ar 34 21 25 ar 35 21 37 1 36 22 27 ar 37 23 28 ar 38 23 38 1 39 24 26 ar 40 24 39 1 41 25 26 ar 42 25 40 1 43 26 42 1 44 27 29 ar 45 27 43 1 46 28 29 ar 47 28 44 1 48 29 45 1