@MOLECULE (2s,2's)-2,2'-(1,2-ethanediyldiimino)bis[(2-hydroxyphenyl)acetic acid] 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2954 -1.0635 1.2146 O.3 1 UNL1111111111 -0.5692 2 O 5.3028 1.0427 1.2164 O.3 1 UNL1111111111 -0.5680 3 O -3.1378 -1.2158 -1.4034 O.3 1 UNL1111111111 -0.4329 4 O 3.4219 1.2517 -1.3549 O.3 1 UNL1111111111 -0.4417 5 OXT -3.7373 -2.6582 1.2220 O.2 1 UNL1111111111 -0.4749 6 OXT 3.7665 2.6613 1.2028 O.2 1 UNL1111111111 -0.4750 7 N -1.6905 -0.7674 1.1620 N.3 1 UNL1111111111 -0.5382 8 N 1.6959 0.7863 1.1679 N.3 1 UNL1111111111 -0.5408 9 C -0.7067 0.3317 1.2322 C.3 1 UNL1111111111 -0.1144 10 C 0.7032 -0.3009 1.2803 C.3 1 UNL1111111111 -0.1160 11 CA -3.0840 -0.2752 1.2144 C.3 1 UNL1111111111 0.0088 12 CA 3.0858 0.2830 1.2272 C.3 1 UNL1111111111 0.0082 13 C -3.3824 0.6105 0.0376 C.ar 1 UNL1111111111 -0.1215 14 C 3.3548 -0.6143 0.0503 C.ar 1 UNL1111111111 -0.1150 15 C -4.0033 -1.4910 1.1826 C.2 1 UNL1111111111 0.6295 16 C 4.0171 1.4901 1.1833 C.2 1 UNL1111111111 0.6315 17 C -3.3697 0.1104 -1.2759 C.ar 1 UNL1111111111 0.3093 18 C 3.4845 -0.0953 -1.2474 C.ar 1 UNL1111111111 0.3080 19 C -3.6820 1.9554 0.2265 C.ar 1 UNL1111111111 -0.0810 20 C 3.4626 -1.9908 0.2238 C.ar 1 UNL1111111111 -0.0850 21 C -3.6281 0.9272 -2.3781 C.ar 1 UNL1111111111 -0.3175 22 C 3.7049 -0.9219 -2.3525 C.ar 1 UNL1111111111 -0.3139 23 C -3.9580 2.7820 -0.8613 C.ar 1 UNL1111111111 -0.2264 24 C 3.6912 -2.8279 -0.8668 C.ar 1 UNL1111111111 -0.2230 25 C -3.9134 2.2716 -2.1580 C.ar 1 UNL1111111111 -0.0601 26 C 3.8136 -2.2927 -2.1490 C.ar 1 UNL1111111111 -0.0626 27 H -0.7978 0.9384 0.2949 H 1 UNL1111111111 0.1725 28 H -0.8686 1.0219 2.0824 H 1 UNL1111111111 0.1101 29 H 0.8291 -0.9253 2.1878 H 1 UNL1111111111 0.1087 30 H 0.8199 -0.9736 0.3921 H 1 UNL1111111111 0.1729 31 HA -3.3022 0.2814 2.1726 H 1 UNL1111111111 0.1466 32 HA 3.3039 -0.2710 2.1860 H 1 UNL1111111111 0.1475 33 H -1.5288 -1.4818 1.8740 H 1 UNL1111111111 0.2707 34 H 1.5432 1.5287 1.8483 H 1 UNL1111111111 0.2721 35 H -3.7081 2.3753 1.2350 H 1 UNL1111111111 0.1515 36 H 3.3660 -2.4256 1.2186 H 1 UNL1111111111 0.1513 37 H -3.6016 0.5257 -3.3822 H 1 UNL1111111111 0.1596 38 H 3.7997 -0.5016 -3.3477 H 1 UNL1111111111 0.1595 39 H -4.1970 3.8278 -0.6989 H 1 UNL1111111111 0.1542 40 H 3.7810 -3.8988 -0.7134 H 1 UNL1111111111 0.1545 41 H -4.1419 2.9221 -3.0044 H 1 UNL1111111111 0.1462 42 H 3.9946 -2.9525 -2.9970 H 1 UNL1111111111 0.1463 43 H -5.9580 -1.7944 1.1748 H 1 UNL1111111111 0.3545 44 H 5.9738 1.7643 1.1673 H 1 UNL1111111111 0.3538 45 H -3.0414 -1.4968 -2.3490 H 1 UNL1111111111 0.3234 46 H 3.4497 1.5567 -2.2952 H 1 UNL1111111111 0.3259 @BOND 1 1 15 1 2 1 43 1 3 2 16 1 4 2 44 1 5 3 17 1 6 3 45 1 7 4 18 1 8 4 46 1 9 5 15 2 10 6 16 2 11 7 9 1 12 7 11 1 13 7 33 1 14 8 10 1 15 8 12 1 16 8 34 1 17 9 10 1 18 9 27 1 19 9 28 1 20 10 29 1 21 10 30 1 22 11 13 1 23 11 15 1 24 11 31 1 25 12 14 1 26 12 16 1 27 12 32 1 28 13 17 ar 29 13 19 ar 30 14 18 ar 31 14 20 ar 32 17 21 ar 33 18 22 ar 34 19 23 ar 35 19 35 1 36 20 24 ar 37 20 36 1 38 21 25 ar 39 21 37 1 40 22 26 ar 41 22 38 1 42 23 25 ar 43 23 39 1 44 24 26 ar 45 24 40 1 46 25 41 1 47 26 42 1