@MOLECULE 2-{6-[bis(carboxymethyl)amino]-5-(carboxymethoxy)-1-benzofuran-2-yl}-1,3-oxazole-5-carboxylic acid 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8566 -1.1550 0.2665 O.2 1 UNL1111111111 -0.1246 2 O 2.8114 1.6598 0.1154 O.3 1 UNL1111111111 -0.3205 3 O -5.0202 0.6221 0.0345 O.2 1 UNL1111111111 -0.1471 4 O 4.8978 0.1865 2.9442 O.3 1 UNL1111111111 -0.5490 5 O 2.5619 -4.1145 -1.8162 O.3 1 UNL1111111111 -0.5778 6 O 2.8999 -0.8086 2.9409 O.2 1 UNL1111111111 -0.4909 7 O 2.9880 -2.0615 -2.5705 O.2 1 UNL1111111111 -0.4663 8 O 4.6266 3.5679 -2.0832 O.3 1 UNL1111111111 -0.5631 9 O 5.3712 2.5993 -0.2128 O.2 1 UNL1111111111 -0.4740 10 O -8.5726 0.3288 -0.1010 O.3 1 UNL1111111111 -0.5422 11 O -7.3205 2.1702 -0.2912 O.2 1 UNL1111111111 -0.4579 12 N 3.0389 -1.1235 0.0757 N.pl3 1 UNL1111111111 -0.3904 13 N -4.7798 -1.6123 0.2263 N.ar 1 UNL1111111111 -0.3714 14 C 1.7694 -0.5296 0.2133 C.ar 1 UNL1111111111 0.2372 15 C -0.7125 0.8432 0.1930 C.ar 1 UNL1111111111 -0.1427 16 C -0.6095 -0.5694 0.2537 C.ar 1 UNL1111111111 0.1904 17 C 1.6630 0.8959 0.1346 C.ar 1 UNL1111111111 0.0557 18 C 0.5850 -1.2767 0.2812 C.ar 1 UNL1111111111 -0.3106 19 C 0.4634 1.5890 0.1427 C.ar 1 UNL1111111111 -0.0820 20 C -2.1233 1.1288 0.1644 C.ar 1 UNL1111111111 -0.1259 21 C 4.1629 -0.6002 0.8577 C.3 1 UNL1111111111 -0.1534 22 C 3.0833 -2.5717 -0.1477 C.3 1 UNL1111111111 -0.1590 23 C -2.7608 -0.0837 0.2037 C.ar 1 UNL1111111111 0.0365 24 C -4.1423 -0.4483 0.1702 C.ar 1 UNL1111111111 0.2866 25 C 3.8677 -0.4460 2.3322 C.2 1 UNL1111111111 0.6079 26 C 2.8877 -2.8060 -1.6374 C.2 1 UNL1111111111 0.6246 27 C 3.2593 1.8823 -1.2276 C.3 1 UNL1111111111 -0.1318 28 C -6.2822 0.0425 0.0057 C.ar 1 UNL1111111111 -0.1062 29 C -6.1418 -1.3240 0.1218 C.ar 1 UNL1111111111 0.0474 30 C 4.5247 2.6828 -1.0581 C.2 1 UNL1111111111 0.6234 31 C -7.3774 0.9784 -0.1433 C.2 1 UNL1111111111 0.6466 32 H 0.5704 -2.3589 0.3673 H 1 UNL1111111111 0.1873 33 H 0.4478 2.6773 0.0989 H 1 UNL1111111111 0.1794 34 H -2.5639 2.1067 0.1154 H 1 UNL1111111111 0.1882 35 H 5.0720 -1.2350 0.7205 H 1 UNL1111111111 0.1794 36 H 4.4781 0.4011 0.4439 H 1 UNL1111111111 0.2263 37 H 2.3323 -3.1492 0.4492 H 1 UNL1111111111 0.1862 38 H 4.0706 -3.0024 0.1480 H 1 UNL1111111111 0.1794 39 H 3.4641 0.9121 -1.7352 H 1 UNL1111111111 0.1854 40 H 2.4840 2.4311 -1.7986 H 1 UNL1111111111 0.1710 41 H -6.8812 -2.1095 0.1354 H 1 UNL1111111111 0.2036 42 H 4.7308 0.3900 3.9007 H 1 UNL1111111111 0.3614 43 H 2.4068 -4.3628 -2.7608 H 1 UNL1111111111 0.3621 44 H 5.4402 4.1277 -2.0501 H 1 UNL1111111111 0.3585 45 H -9.3440 0.9480 -0.2027 H 1 UNL1111111111 0.3626 @BOND 1 1 16 ar 2 1 23 ar 3 2 17 1 4 2 27 1 5 3 24 ar 6 3 28 ar 7 4 25 1 8 4 42 1 9 5 26 1 10 5 43 1 11 6 25 2 12 7 26 2 13 8 30 1 14 8 44 1 15 9 30 2 16 10 31 1 17 10 45 1 18 11 31 2 19 12 14 1 20 12 21 1 21 12 22 1 22 13 24 ar 23 13 29 ar 24 14 17 ar 25 14 18 ar 26 15 16 ar 27 15 19 ar 28 15 20 ar 29 16 18 ar 30 17 19 ar 31 18 32 1 32 19 33 1 33 20 23 ar 34 20 34 1 35 21 25 1 36 21 35 1 37 21 36 1 38 22 26 1 39 22 37 1 40 22 38 1 41 23 24 1 42 27 30 1 43 27 39 1 44 27 40 1 45 28 29 ar 46 28 31 1 47 29 41 1