@MOLECULE 2,2',2'',2'''-[iminobis(2,1-ethanediylnitrilo)]tetraacetic acid 44 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.5377 2.6195 0.7778 O.3 1 UNL1111111111111 -0.5663 2 O 6.0587 -1.5700 0.7609 O.3 1 UNL1111111111111 -0.5531 3 O -4.4044 -2.8969 1.3212 O.3 1 UNL1111111111111 -0.5481 4 O -4.4276 3.0177 -0.8642 O.3 1 UNL1111111111111 -0.5917 5 O 2.4364 2.1820 1.3938 O.2 1 UNL1111111111111 -0.4990 6 O 4.4101 -2.7680 -0.1442 O.2 1 UNL1111111111111 -0.5053 7 O -5.9384 -1.5184 0.4686 O.2 1 UNL1111111111111 -0.5134 8 O -3.4903 2.1950 0.9801 O.2 1 UNL1111111111111 -0.4599 9 N 0.3918 0.2620 -0.1548 N.3 1 UNL1111111111111 -0.5800 10 N 3.3949 0.0072 -0.5564 N.3 1 UNL1111111111111 -0.4083 11 N -3.2723 -0.3080 -0.3600 N.3 1 UNL1111111111111 -0.4060 12 C 2.3478 -0.8003 -1.2231 C.3 1 UNL1111111111111 -0.1229 13 C -1.9049 -0.0814 -0.8837 C.3 1 UNL1111111111111 -0.1190 14 C 1.1719 -0.9938 -0.2304 C.3 1 UNL1111111111111 -0.1042 15 C -0.9775 0.0535 0.3547 C.3 1 UNL1111111111111 -0.1048 16 C 3.2422 1.4538 -0.8042 C.3 1 UNL1111111111111 -0.1860 17 C 4.7687 -0.4435 -0.8457 C.3 1 UNL1111111111111 -0.1882 18 C -3.7352 -1.6882 -0.5869 C.3 1 UNL1111111111111 -0.1799 19 C -4.2349 0.6973 -0.8436 C.3 1 UNL1111111111111 -0.1956 20 C 3.3057 2.0926 0.5708 C.2 1 UNL1111111111111 0.6500 21 C 4.9965 -1.7226 -0.0664 C.2 1 UNL1111111111111 0.6475 22 C -4.8257 -1.9711 0.4289 C.2 1 UNL1111111111111 0.6495 23 C -3.9744 1.9835 -0.0939 C.2 1 UNL1111111111111 0.6385 24 H 2.7462 -1.8050 -1.4913 H 1 UNL1111111111111 0.1565 25 H 1.9773 -0.3386 -2.1617 H 1 UNL1111111111111 0.1348 26 H -1.8372 0.8479 -1.4881 H 1 UNL1111111111111 0.1456 27 H -1.5479 -0.8946 -1.5449 H 1 UNL1111111111111 0.1288 28 H 1.5711 -1.3087 0.7602 H 1 UNL1111111111111 0.1398 29 H 0.5267 -1.8170 -0.6012 H 1 UNL1111111111111 0.1326 30 H -1.0837 -0.8298 1.0159 H 1 UNL1111111111111 0.1350 31 H -1.3021 0.9302 0.9617 H 1 UNL1111111111111 0.1648 32 H 0.8948 0.9491 0.4130 H 1 UNL1111111111111 0.2851 33 H 2.2478 1.6927 -1.2615 H 1 UNL1111111111111 0.1920 34 H 4.0104 1.8868 -1.4810 H 1 UNL1111111111111 0.1591 35 H 5.4960 0.3388 -0.5012 H 1 UNL1111111111111 0.1946 36 H 4.9748 -0.6320 -1.9230 H 1 UNL1111111111111 0.1515 37 H -2.8795 -2.3914 -0.4231 H 1 UNL1111111111111 0.1847 38 H -4.1309 -1.8826 -1.6089 H 1 UNL1111111111111 0.1492 39 H -5.2867 0.3774 -0.6087 H 1 UNL1111111111111 0.2044 40 H -4.2034 0.8705 -1.9437 H 1 UNL1111111111111 0.1584 41 H 4.6604 3.0143 1.6768 H 1 UNL1111111111111 0.3586 42 H 6.2533 -2.3674 1.3140 H 1 UNL1111111111111 0.3566 43 H -5.0634 -3.0929 2.0342 H 1 UNL1111111111111 0.3568 44 H -4.3357 3.9019 -0.4375 H 1 UNL1111111111111 0.3572 @BOND 1 1 20 1 2 1 41 1 3 2 21 1 4 2 42 1 5 3 22 1 6 3 43 1 7 4 23 1 8 4 44 1 9 5 20 2 10 6 21 2 11 7 22 2 12 8 23 2 13 9 14 1 14 9 15 1 15 9 32 1 16 10 12 1 17 10 16 1 18 10 17 1 19 11 13 1 20 11 18 1 21 11 19 1 22 12 14 1 23 12 24 1 24 12 25 1 25 13 15 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 16 20 1 33 16 33 1 34 16 34 1 35 17 21 1 36 17 35 1 37 17 36 1 38 18 22 1 39 18 37 1 40 18 38 1 41 19 23 1 42 19 39 1 43 19 40 1