@MOLECULE 3-methyl-4-(1h-pyrrol-1-yl)benzoic acid 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0928 1.2562 0.0035 O.3 1 UNL1111111111 -0.4823 2 O -4.2092 -0.9664 -0.0008 O.2 1 UNL1111111111 -0.2897 3 N 2.1365 0.2293 -0.0004 N.ar 1 UNL1111111111 0.2697 4 C 0.7165 0.1657 -0.0017 C.ar 1 UNL1111111111 -0.1645 5 C 0.0624 -1.0789 -0.0006 C.ar 1 UNL1111111111 0.4343 6 C -0.0032 1.3659 -0.0035 C.ar 1 UNL1111111111 -0.2018 7 C -1.3330 -1.0935 0.0002 C.ar 1 UNL1111111111 -0.5371 8 C -2.0508 0.1035 -0.0007 C.ar 1 UNL1111111111 0.3515 9 C -1.3932 1.3344 -0.0028 C.ar 1 UNL1111111111 -0.3385 10 C 2.9382 0.2590 1.1359 C.ar 1 UNL1111111111 -0.3117 11 C 2.9407 0.2572 -1.1350 C.ar 1 UNL1111111111 -0.3996 12 C 0.8315 -2.3506 0.0005 C.3 1 UNL1111111111 -0.9227 13 C 4.2648 0.3132 0.7135 C.ar 1 UNL1111111111 -0.3029 14 C 4.2664 0.3120 -0.7100 C.ar 1 UNL1111111111 -0.2474 15 C -3.5208 0.0221 0.0005 C.2 1 UNL1111111111 0.1755 16 H 0.5291 2.3182 -0.0050 H 1 UNL1111111111 0.2063 17 H -1.8726 -2.0461 0.0018 H 1 UNL1111111111 0.3073 18 H -1.9657 2.2663 -0.0037 H 1 UNL1111111111 0.2718 19 H 2.5275 0.2449 2.1242 H 1 UNL1111111111 0.2674 20 H 2.5327 0.2416 -2.1243 H 1 UNL1111111111 0.2541 21 H 1.4949 -2.4228 -0.8776 H 1 UNL1111111111 0.2692 22 H 1.4852 -2.4265 0.8855 H 1 UNL1111111111 0.2902 23 H 0.1900 -3.2424 -0.0049 H 1 UNL1111111111 0.2833 24 H 5.1301 0.3510 1.3386 H 1 UNL1111111111 0.2385 25 H 5.1332 0.3488 -1.3331 H 1 UNL1111111111 0.2117 26 H -5.0821 1.2256 0.0040 H 1 UNL1111111111 0.3673 @BOND 1 1 15 1 2 1 26 1 3 2 15 2 4 3 4 1 5 3 10 ar 6 3 11 ar 7 4 5 ar 8 4 6 ar 9 5 7 ar 10 5 12 1 11 6 9 ar 12 6 16 1 13 7 8 ar 14 7 17 1 15 8 9 ar 16 8 15 1 17 9 18 1 18 10 13 ar 19 10 19 1 20 11 14 ar 21 11 20 1 22 12 21 1 23 12 22 1 24 12 23 1 25 13 14 ar 26 13 24 1 27 14 25 1