@MOLECULE 2,2',2'',2'''-[(3-phenyl-1,2-propanediyl)dinitrilo]tetraacetic acid 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1922 -1.8867 1.8743 O.3 1 UNL1111111111 -0.5497 2 O -1.2027 2.2190 -1.8708 O.3 1 UNL1111111111 -0.6319 3 O -5.2347 -0.7541 0.2574 O.2 1 UNL1111111111 -0.5111 4 O -2.5258 2.9970 -0.2420 O.2 1 UNL1111111111 -0.4497 5 O 3.1010 1.3214 -0.8363 O.3 1 UNL1111111111 -0.5148 6 O 3.5748 -2.9342 -0.5040 O.3 1 UNL1111111111 -0.5488 7 O 1.3207 2.6497 -1.0442 O.2 1 UNL1111111111 -0.5581 8 O 1.4200 -3.3536 -0.1232 O.2 1 UNL1111111111 -0.5171 9 N -2.2591 -0.1437 -0.0704 N.3 1 UNL1111111111 -0.4151 10 N 1.2074 -0.6800 -1.4329 N.3 1 UNL1111111111 -0.4029 11 C -0.7805 -0.2180 -0.0821 C.3 1 UNL1111111111 0.0587 12 C -0.2063 -1.0689 -1.2573 C.3 1 UNL1111111111 -0.1710 13 C -0.3027 -0.7327 1.2999 C.3 1 UNL1111111111 -0.3110 14 C -2.9122 -1.4652 -0.0580 C.3 1 UNL1111111111 -0.1809 15 C -2.8324 0.7246 -1.1245 C.3 1 UNL1111111111 -0.1963 16 C 0.8553 0.0950 1.7716 C.ar 1 UNL1111111111 0.0266 17 C 1.3747 0.5322 -2.2559 C.3 1 UNL1111111111 -0.1879 18 C 2.0767 -1.7769 -1.8911 C.3 1 UNL1111111111 -0.1747 19 C 0.6520 1.4295 2.1364 C.ar 1 UNL1111111111 -0.1758 20 C 2.1406 -0.4452 1.8251 C.ar 1 UNL1111111111 -0.1613 21 C -4.2374 -1.2897 0.6606 C.2 1 UNL1111111111 0.6495 22 C -2.2214 2.1059 -0.9790 C.2 1 UNL1111111111 0.6464 23 C 1.8828 1.6155 -1.3179 C.2 1 UNL1111111111 0.6628 24 C 2.2547 -2.7496 -0.7430 C.2 1 UNL1111111111 0.6509 25 C 1.7320 2.2214 2.5147 C.ar 1 UNL1111111111 -0.1274 26 C 3.2212 0.3501 2.2025 C.ar 1 UNL1111111111 -0.1430 27 C 3.0201 1.6866 2.5400 C.ar 1 UNL1111111111 -0.1950 28 H -0.3967 0.8352 -0.1979 H 1 UNL1111111111 0.1725 29 H -0.2796 -2.1502 -1.0065 H 1 UNL1111111111 0.1667 30 H -0.8125 -0.9159 -2.1738 H 1 UNL1111111111 0.1263 31 H -0.0348 -1.8068 1.2490 H 1 UNL1111111111 0.1642 32 H -1.1351 -0.6649 2.0374 H 1 UNL1111111111 0.1818 33 H -3.1012 -1.8961 -1.0663 H 1 UNL1111111111 0.1481 34 H -2.2776 -2.2028 0.4949 H 1 UNL1111111111 0.1898 35 H -2.6858 0.3428 -2.1582 H 1 UNL1111111111 0.1471 36 H -3.9388 0.8026 -0.9506 H 1 UNL1111111111 0.2007 37 H 0.4140 0.8774 -2.7162 H 1 UNL1111111111 0.1888 38 H 2.0946 0.4059 -3.0949 H 1 UNL1111111111 0.1658 39 H 3.0799 -1.3563 -2.1701 H 1 UNL1111111111 0.1946 40 H 1.6896 -2.3314 -2.7756 H 1 UNL1111111111 0.1499 41 H -0.3532 1.8512 2.1144 H 1 UNL1111111111 0.1679 42 H 2.3026 -1.4856 1.5554 H 1 UNL1111111111 0.1499 43 H 1.5684 3.2626 2.7887 H 1 UNL1111111111 0.1524 44 H 4.2214 -0.0773 2.2322 H 1 UNL1111111111 0.1451 45 H 3.8604 2.3062 2.8402 H 1 UNL1111111111 0.1459 46 H -5.0188 -1.7746 2.4067 H 1 UNL1111111111 0.3555 47 H -0.5028 2.8905 -1.6404 H 1 UNL1111111111 0.3945 48 H 3.3782 1.9025 -0.0735 H 1 UNL1111111111 0.3644 49 H 3.7651 -3.5638 0.2360 H 1 UNL1111111111 0.3567 @BOND 1 1 21 1 2 1 46 1 3 2 22 1 4 2 47 1 5 3 21 2 6 4 22 2 7 5 23 1 8 5 48 1 9 6 24 1 10 6 49 1 11 7 23 2 12 8 24 2 13 9 11 1 14 9 14 1 15 9 15 1 16 10 12 1 17 10 17 1 18 10 18 1 19 11 12 1 20 11 13 1 21 11 28 1 22 12 29 1 23 12 30 1 24 13 16 1 25 13 31 1 26 13 32 1 27 14 21 1 28 14 33 1 29 14 34 1 30 15 22 1 31 15 35 1 32 15 36 1 33 16 19 ar 34 16 20 ar 35 17 23 1 36 17 37 1 37 17 38 1 38 18 24 1 39 18 39 1 40 18 40 1 41 19 25 ar 42 19 41 1 43 20 26 ar 44 20 42 1 45 25 27 ar 46 25 43 1 47 26 27 ar 48 26 44 1 49 27 45 1