@MOLECULE pyrrole 2-carboxylate 13 13 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8817 -1.1369 0.0015 O.3 1 PRO1111111111 -0.5955 2 OXT 2.1315 1.0808 -0.0012 O.2 1 PRO1111111111 -0.4772 3 N -0.8113 -1.0594 -0.0010 N.ar 1 PRO1111111111 -0.2384 4 CA -0.0632 0.1188 -0.0003 C.ar 1 PRO1111111111 -0.1331 5 CB -0.9518 1.2049 0.0009 C.ar 1 PRO1111111111 -0.1068 6 CD -2.1461 -0.7288 -0.0006 C.ar 1 PRO1111111111 -0.0520 7 CG -2.2595 0.6713 0.0008 C.ar 1 PRO1111111111 -0.2472 8 C 1.3830 0.1395 -0.0002 C.2 1 PRO1111111111 0.6555 9 H -0.4129 -1.9748 -0.0018 H 1 PRO1111111111 0.3215 10 HB -0.6792 2.2421 0.0019 H 1 PRO1111111111 0.1733 11 HD -2.9228 -1.4699 -0.0012 H 1 PRO1111111111 0.1677 12 HG -3.1699 1.2311 0.0015 H 1 PRO1111111111 0.1673 13 H 2.8689 -1.1681 0.0018 H 1 PRO1111111111 0.3649 @BOND 1 1 8 1 2 1 13 1 3 2 8 2 4 3 4 ar 5 3 6 ar 6 3 9 1 7 4 5 ar 8 4 8 1 9 5 7 ar 10 5 10 1 11 6 7 ar 12 6 11 1 13 7 12 1