@MOLECULE 2,2',2'',2'''-[(2,3-dihydroxy-1,4-phenylene)bis(methylenenitrilo)]tetraacetic acid 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6181 -0.8635 2.5179 O.3 1 UNL1111111111 -0.4726 2 O 1.8894 -1.0066 1.6362 O.3 1 UNL1111111111 -0.4995 3 O -6.8336 -1.0664 -0.6910 O.3 1 UNL1111111111 -0.5888 4 O -2.9288 3.5579 0.7726 O.3 1 UNL1111111111 -0.5867 5 O 6.6614 -1.2607 -0.0718 O.3 1 UNL1111111111 -0.5747 6 O 4.3593 2.7943 -0.8567 O.3 1 UNL1111111111 -0.5909 7 O -4.8488 -1.7761 -1.4080 O.2 1 UNL1111111111 -0.4766 8 O -3.5987 2.4463 -1.0316 O.2 1 UNL1111111111 -0.4709 9 O 4.9076 -1.1165 1.2963 O.2 1 UNL1111111111 -0.4784 10 O 2.7035 2.5973 0.6289 O.2 1 UNL1111111111 -0.4520 11 N -3.5651 0.0133 0.3696 N.3 1 UNL1111111111 -0.3810 12 N 3.3224 -0.1593 -0.7766 N.3 1 UNL1111111111 -0.4120 13 C -2.8740 -1.1909 0.8973 C.3 1 UNL1111111111 -0.1082 14 C 2.5361 -1.3283 -1.2541 C.3 1 UNL1111111111 -0.1063 15 C -1.4755 -1.2095 0.3516 C.ar 1 UNL1111111111 -0.0600 16 C 1.1507 -1.2712 -0.6788 C.ar 1 UNL1111111111 -0.1306 17 C -0.3824 -1.0622 1.1948 C.ar 1 UNL1111111111 0.1650 18 C 0.9349 -1.1119 0.6858 C.ar 1 UNL1111111111 0.1873 19 C -1.2507 -1.3711 -1.0221 C.ar 1 UNL1111111111 -0.1283 20 C 0.0398 -1.3943 -1.5280 C.ar 1 UNL1111111111 -0.1771 21 C -5.0306 -0.1178 0.4246 C.3 1 UNL1111111111 -0.1869 22 C -3.1021 1.2365 1.0566 C.3 1 UNL1111111111 -0.1879 23 C 4.7633 -0.3250 -1.0381 C.3 1 UNL1111111111 -0.2029 24 C 2.7976 1.1081 -1.3236 C.3 1 UNL1111111111 -0.1834 25 C -5.4692 -1.0681 -0.6669 C.2 1 UNL1111111111 0.6444 26 C -3.2526 2.4034 0.1134 C.2 1 UNL1111111111 0.6297 27 C 5.3732 -0.9273 0.2068 C.2 1 UNL1111111111 0.6354 28 C 3.2231 2.2132 -0.3776 C.2 1 UNL1111111111 0.6313 29 H -2.8788 -1.2414 2.0103 H 1 UNL1111111111 0.1443 30 H -3.4110 -2.1031 0.5369 H 1 UNL1111111111 0.1643 31 H 2.5112 -1.4011 -2.3641 H 1 UNL1111111111 0.1334 32 H 3.0435 -2.2561 -0.8873 H 1 UNL1111111111 0.1598 33 H -2.1156 -1.4572 -1.6873 H 1 UNL1111111111 0.1852 34 H 0.1901 -1.5130 -2.5990 H 1 UNL1111111111 0.1521 35 H -5.4291 -0.4708 1.4040 H 1 UNL1111111111 0.1566 36 H -5.5032 0.8790 0.2252 H 1 UNL1111111111 0.1894 37 H -3.6151 1.4487 2.0218 H 1 UNL1111111111 0.1605 38 H -2.0111 1.1335 1.3129 H 1 UNL1111111111 0.2068 39 H 4.9991 -0.9530 -1.9280 H 1 UNL1111111111 0.1686 40 H 5.2647 0.6605 -1.2324 H 1 UNL1111111111 0.2020 41 H 3.1279 1.3261 -2.3636 H 1 UNL1111111111 0.1583 42 H 1.6754 1.0727 -1.3372 H 1 UNL1111111111 0.1988 43 H 0.2466 -0.7308 2.9997 H 1 UNL1111111111 0.3552 44 H 2.7924 -0.7833 1.2545 H 1 UNL1111111111 0.3893 45 H -7.2232 -1.6354 -1.3955 H 1 UNL1111111111 0.3584 46 H -2.9747 4.3626 0.2049 H 1 UNL1111111111 0.3566 47 H 7.1507 -1.6469 0.6963 H 1 UNL1111111111 0.3627 48 H 4.7058 3.5296 -0.2960 H 1 UNL1111111111 0.3606 @BOND 1 1 17 1 2 1 43 1 3 2 18 1 4 2 44 1 5 3 25 1 6 3 45 1 7 4 26 1 8 4 46 1 9 5 27 1 10 5 47 1 11 6 28 1 12 6 48 1 13 7 25 2 14 8 26 2 15 9 27 2 16 10 28 2 17 11 13 1 18 11 21 1 19 11 22 1 20 12 14 1 21 12 23 1 22 12 24 1 23 13 15 1 24 13 29 1 25 13 30 1 26 14 16 1 27 14 31 1 28 14 32 1 29 15 17 ar 30 15 19 ar 31 16 18 ar 32 16 20 ar 33 17 18 ar 34 19 20 ar 35 19 33 1 36 20 34 1 37 21 25 1 38 21 35 1 39 21 36 1 40 22 26 1 41 22 37 1 42 22 38 1 43 23 27 1 44 23 39 1 45 23 40 1 46 24 28 1 47 24 41 1 48 24 42 1