@MOLECULE 2,2',2'',2'''-[2,6-pyridinediylbis(methylenenitrilo)]tetraacetic acid 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4530 2.6724 -0.5634 O.3 1 UNL1111111111 -0.5604 2 O 5.3487 -0.7590 -1.3712 O.3 1 UNL1111111111 -0.5353 3 O -5.2085 -1.4223 0.1375 O.3 1 UNL1111111111 -0.5801 4 O -2.6745 2.8646 -1.1391 O.3 1 UNL1111111111 -0.5608 5 O 3.1336 3.1621 1.5873 O.2 1 UNL1111111111 -0.5130 6 O 4.1678 -2.5008 -0.6385 O.2 1 UNL1111111111 -0.5342 7 O -5.2606 -0.0789 -1.6411 O.2 1 UNL1111111111 -0.4763 8 O -0.6753 1.8826 -1.3039 O.2 1 UNL1111111111 -0.5103 9 N 2.8229 0.0384 0.5252 N.3 1 UNL1111111111 -0.3693 10 N -2.8683 0.3898 0.5113 N.3 1 UNL1111111111 -0.3952 11 N -0.1515 -1.0112 1.3455 N.ar 1 UNL1111111111 -0.4295 12 C 2.2796 -1.0730 1.3306 C.3 1 UNL1111111111 -0.1330 13 C -2.5592 -0.6939 1.4731 C.3 1 UNL1111111111 -0.1299 14 C 0.9500 -1.6124 0.8524 C.ar 1 UNL1111111111 0.1514 15 C -1.3583 -1.4303 0.9158 C.ar 1 UNL1111111111 0.1901 16 C 1.9748 1.2457 0.6057 C.3 1 UNL1111111111 -0.1922 17 C 3.0844 -0.3225 -0.8838 C.3 1 UNL1111111111 -0.1986 18 C -4.3019 0.7305 0.4668 C.3 1 UNL1111111111 -0.1827 19 C -2.0184 1.5770 0.7200 C.3 1 UNL1111111111 -0.1865 20 C 0.8836 -2.6681 -0.0665 C.ar 1 UNL1111111111 -0.2475 21 C -1.5121 -2.4692 -0.0118 C.ar 1 UNL1111111111 -0.2344 22 C -0.3684 -3.0946 -0.5023 C.ar 1 UNL1111111111 -0.0696 23 C 2.9041 2.4403 0.6551 C.2 1 UNL1111111111 0.6567 24 C 4.2107 -1.3297 -0.9164 C.2 1 UNL1111111111 0.6528 25 C -4.9497 -0.2463 -0.4964 C.2 1 UNL1111111111 0.6448 26 C -1.6755 2.0793 -0.6697 C.2 1 UNL1111111111 0.6572 27 H 3.0429 -1.8908 1.3504 H 1 UNL1111111111 0.1792 28 H 2.1986 -0.7159 2.3880 H 1 UNL1111111111 0.1754 29 H -2.3551 -0.3251 2.5038 H 1 UNL1111111111 0.1500 30 H -3.4261 -1.3934 1.5540 H 1 UNL1111111111 0.1762 31 H 1.2523 1.3515 -0.2421 H 1 UNL1111111111 0.1889 32 H 1.3592 1.2330 1.5391 H 1 UNL1111111111 0.1846 33 H 2.2003 -0.7433 -1.4186 H 1 UNL1111111111 0.1636 34 H 3.3885 0.6069 -1.4397 H 1 UNL1111111111 0.2098 35 H -4.8106 0.6990 1.4552 H 1 UNL1111111111 0.1561 36 H -4.4405 1.7634 0.0511 H 1 UNL1111111111 0.1941 37 H -2.4892 2.3800 1.3280 H 1 UNL1111111111 0.1607 38 H -1.0653 1.2938 1.2396 H 1 UNL1111111111 0.1963 39 H 1.7982 -3.1428 -0.4267 H 1 UNL1111111111 0.1906 40 H -2.5030 -2.7625 -0.3480 H 1 UNL1111111111 0.1738 41 H -0.4526 -3.9078 -1.2240 H 1 UNL1111111111 0.1624 42 H 4.1011 3.4175 -0.5755 H 1 UNL1111111111 0.3536 43 H 6.1200 -1.3787 -1.4032 H 1 UNL1111111111 0.3513 44 H -5.6244 -2.1057 -0.4424 H 1 UNL1111111111 0.3579 45 H -2.5471 3.1590 -2.0760 H 1 UNL1111111111 0.3615 @BOND 1 1 23 1 2 1 42 1 3 2 24 1 4 2 43 1 5 3 25 1 6 3 44 1 7 4 26 1 8 4 45 1 9 5 23 2 10 6 24 2 11 7 25 2 12 8 26 2 13 9 12 1 14 9 16 1 15 9 17 1 16 10 13 1 17 10 18 1 18 10 19 1 19 11 14 ar 20 11 15 ar 21 12 14 1 22 12 27 1 23 12 28 1 24 13 15 1 25 13 29 1 26 13 30 1 27 14 20 ar 28 15 21 ar 29 16 23 1 30 16 31 1 31 16 32 1 32 17 24 1 33 17 33 1 34 17 34 1 35 18 25 1 36 18 35 1 37 18 36 1 38 19 26 1 39 19 37 1 40 19 38 1 41 20 22 ar 42 20 39 1 43 21 22 ar 44 21 40 1 45 22 41 1