@MOLECULE 4-[4-(2-carboxyethyl)-2-methyl-1h-pyrrol-3-yl]-4-oxobutanoic acid 33 33 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5327 1.4733 0.0272 O.2 1 UNL1111111111 -0.4920 2 O 4.2927 1.6812 -1.4857 O.3 1 UNL1111111111 -0.5726 3 O 4.5632 0.2016 0.1504 O.2 1 UNL1111111111 -0.5293 4 O -5.4573 1.5317 0.2487 O.3 1 UNL1111111111 -0.5682 5 O -4.9902 -0.5048 -0.5202 O.2 1 UNL1111111111 -0.5221 6 N 1.4718 -2.6131 0.1657 N.ar 1 UNL1111111111 -0.3137 7 C 1.5365 -0.4460 0.7821 C.ar 1 UNL1111111111 -0.0044 8 C 0.2494 -0.7188 0.2069 C.ar 1 UNL1111111111 -0.3090 9 C 2.0163 0.8565 1.2934 C.3 1 UNL1111111111 -0.2424 10 C 0.2416 -2.0718 -0.1664 C.ar 1 UNL1111111111 0.1445 11 C 2.2683 -1.6252 0.7496 C.ar 1 UNL1111111111 -0.1201 12 C -0.7838 0.2877 0.0545 C.2 1 UNL1111111111 0.5188 13 C -2.2214 -0.1763 -0.0469 C.3 1 UNL1111111111 -0.3681 14 C 2.6191 1.6857 0.1504 C.3 1 UNL1111111111 -0.3333 15 C -0.7976 -2.8901 -0.8189 C.3 1 UNL1111111111 -0.4562 16 C -3.1809 0.9981 0.1208 C.3 1 UNL1111111111 -0.3253 17 C 3.8943 1.0794 -0.3301 C.2 1 UNL1111111111 0.6595 18 C -4.5855 0.5476 -0.0992 C.2 1 UNL1111111111 0.6486 19 H 2.7663 0.7134 2.1002 H 1 UNL1111111111 0.1593 20 H 1.1756 1.4287 1.7495 H 1 UNL1111111111 0.1713 21 H 3.2769 -1.8124 1.0677 H 1 UNL1111111111 0.1884 22 H 1.7555 -3.5525 0.0031 H 1 UNL1111111111 0.3086 23 H -2.3842 -0.6679 -1.0309 H 1 UNL1111111111 0.1808 24 H -2.4260 -0.9589 0.7117 H 1 UNL1111111111 0.1728 25 H 1.8804 1.7684 -0.6849 H 1 UNL1111111111 0.2058 26 H 2.7951 2.7344 0.4722 H 1 UNL1111111111 0.1814 27 H -0.4481 -3.8930 -1.1042 H 1 UNL1111111111 0.1605 28 H -1.6728 -3.0357 -0.1617 H 1 UNL1111111111 0.1770 29 H -1.1651 -2.4136 -1.7445 H 1 UNL1111111111 0.1771 30 H -2.9235 1.8224 -0.5885 H 1 UNL1111111111 0.2026 31 H -3.0654 1.4706 1.1227 H 1 UNL1111111111 0.1919 32 H 5.1347 1.3198 -1.8509 H 1 UNL1111111111 0.3523 33 H -6.4053 1.2908 0.1125 H 1 UNL1111111111 0.3556 @BOND 1 1 12 2 2 2 17 1 3 2 32 1 4 3 17 2 5 4 18 1 6 4 33 1 7 5 18 2 8 6 10 ar 9 6 11 ar 10 6 22 1 11 7 8 ar 12 7 9 1 13 7 11 ar 14 8 10 ar 15 8 12 1 16 9 14 1 17 9 19 1 18 9 20 1 19 10 15 1 20 11 21 1 21 12 13 1 22 13 16 1 23 13 23 1 24 13 24 1 25 14 17 1 26 14 25 1 27 14 26 1 28 15 27 1 29 15 28 1 30 15 29 1 31 16 18 1 32 16 30 1 33 16 31 1