@MOLECULE (2s,2's)-2,2'-{1,2-ethanediylbis[(carboxymethyl)imino]}bis[(2-hydroxyphenyl)acetic acid] 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5361 -0.4208 -2.9923 O.3 1 UNL1111 -0.5538 2 O 4.8844 -2.0037 0.7146 O.3 1 UNL1111 -0.5850 3 O -2.9602 1.2377 -2.5455 O.2 1 UNL1111 -0.5124 4 O 3.8683 -2.3395 -1.2362 O.2 1 UNL1111 -0.4765 5 O -3.8124 -1.3662 -1.4310 O.3 1 UNL1111 -0.4913 6 O 0.8576 -2.1133 2.5541 O.3 1 UNL1111 -0.4901 7 O -0.5964 4.7230 0.1697 O.3 1 UNL1111 -0.5688 8 O 5.2208 2.0930 -0.6187 O.3 1 UNL1111 -0.5629 9 O -0.9710 3.2921 1.8349 O.2 1 UNL1111 -0.5036 10 O 3.1888 2.9764 -0.3721 O.2 1 UNL1111 -0.5056 11 N -0.8404 1.3054 -0.2633 N.3 1 UNL1111 -0.4491 12 N 2.6032 0.1516 0.2566 N.3 1 UNL1111 -0.4171 13 C 0.5779 1.1776 -0.6562 C.3 1 UNL1111 -0.1047 14 C 1.3355 0.8125 0.6505 C.3 1 UNL1111 -0.1160 15 C -1.6802 0.1907 -0.7143 C.3 1 UNL1111 0.0105 16 C 2.6488 -1.2829 0.6527 C.3 1 UNL1111 0.0028 17 C -1.4135 2.6364 -0.5014 C.3 1 UNL1111 -0.1700 18 C 3.7740 0.8881 0.7811 C.3 1 UNL1111 -0.1954 19 C -2.8376 -0.0370 0.2207 C.ar 1 UNL1111 -0.1318 20 C 1.3827 -2.0012 0.2782 C.ar 1 UNL1111 -0.1529 21 C -2.1827 0.4151 -2.1430 C.2 1 UNL1111 0.6175 22 C 3.8074 -1.9217 -0.1156 C.2 1 UNL1111 0.6286 23 C -3.9082 -0.8529 -0.1744 C.ar 1 UNL1111 0.2755 24 C 0.4956 -2.4225 1.2804 C.ar 1 UNL1111 0.2888 25 C -2.8542 0.4721 1.5168 C.ar 1 UNL1111 -0.0620 26 C 1.0379 -2.2641 -1.0475 C.ar 1 UNL1111 -0.0498 27 C -0.9810 3.5129 0.6550 C.2 1 UNL1111 0.6469 28 C 3.9589 2.0908 -0.1187 C.2 1 UNL1111 0.6523 29 C -4.9793 -1.1464 0.6664 C.ar 1 UNL1111 -0.3055 30 C -0.6878 -3.1033 0.9957 C.ar 1 UNL1111 -0.3160 31 C -3.9148 0.1876 2.3778 C.ar 1 UNL1111 -0.2198 32 C -0.1382 -2.9483 -1.3533 C.ar 1 UNL1111 -0.2209 33 C -4.9715 -0.6143 1.9546 C.ar 1 UNL1111 -0.0727 34 C -0.9937 -3.3699 -0.3367 C.ar 1 UNL1111 -0.0525 35 H 0.9870 2.1235 -1.0739 H 1 UNL1111 0.1615 36 H 0.7459 0.4011 -1.4333 H 1 UNL1111 0.1562 37 H 0.6960 0.1745 1.2994 H 1 UNL1111 0.1607 38 H 1.5094 1.7400 1.2377 H 1 UNL1111 0.1508 39 H -1.0478 -0.7559 -0.6954 H 1 UNL1111 0.2064 40 H 2.8474 -1.4016 1.7603 H 1 UNL1111 0.1802 41 H -1.1172 3.0889 -1.4784 H 1 UNL1111 0.1746 42 H -2.5346 2.5925 -0.5125 H 1 UNL1111 0.1976 43 H 3.6650 1.2311 1.8359 H 1 UNL1111 0.1594 44 H 4.6949 0.2522 0.7578 H 1 UNL1111 0.1955 45 H -2.0247 1.1046 1.8637 H 1 UNL1111 0.1970 46 H 1.6986 -1.9298 -1.8561 H 1 UNL1111 0.1862 47 H -5.7971 -1.7729 0.3301 H 1 UNL1111 0.1590 48 H -1.3591 -3.4112 1.7894 H 1 UNL1111 0.1626 49 H -3.9125 0.6013 3.3835 H 1 UNL1111 0.1574 50 H -0.3939 -3.1407 -2.3940 H 1 UNL1111 0.1681 51 H -5.7974 -0.8298 2.6307 H 1 UNL1111 0.1452 52 H -1.9128 -3.9009 -0.5851 H 1 UNL1111 0.1525 53 H -1.8189 -0.3283 -3.9344 H 1 UNL1111 0.3505 54 H 5.6811 -2.4150 0.3015 H 1 UNL1111 0.3586 55 H -4.6571 -1.7751 -1.7357 H 1 UNL1111 0.3368 56 H 0.1902 -2.4153 3.2170 H 1 UNL1111 0.3370 57 H -0.2791 5.3521 0.8599 H 1 UNL1111 0.3542 58 H 5.4087 2.8464 -1.2298 H 1 UNL1111 0.3553 @BOND 1 1 21 1 2 1 53 1 3 2 22 1 4 2 54 1 5 3 21 2 6 4 22 2 7 5 23 1 8 5 55 1 9 6 24 1 10 6 56 1 11 7 27 1 12 7 57 1 13 8 28 1 14 8 58 1 15 9 27 2 16 10 28 2 17 11 13 1 18 11 15 1 19 11 17 1 20 12 14 1 21 12 16 1 22 12 18 1 23 13 14 1 24 13 35 1 25 13 36 1 26 14 37 1 27 14 38 1 28 15 19 1 29 15 21 1 30 15 39 1 31 16 20 1 32 16 22 1 33 16 40 1 34 17 27 1 35 17 41 1 36 17 42 1 37 18 28 1 38 18 43 1 39 18 44 1 40 19 23 ar 41 19 25 ar 42 20 24 ar 43 20 26 ar 44 23 29 ar 45 24 30 ar 46 25 31 ar 47 25 45 1 48 26 32 ar 49 26 46 1 50 29 33 ar 51 29 47 1 52 30 34 ar 53 30 48 1 54 31 33 ar 55 31 49 1 56 32 34 ar 57 32 50 1 58 33 51 1 59 34 52 1