@MOLECULE 3-acetamidobenzoic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0327 -0.1308 0.0019 O.3 1 UNL1111111111 -0.5509 2 O 3.5128 -0.8667 -0.0017 O.2 1 UNL1111111111 -0.5002 3 O -3.0603 1.8703 -0.0015 O.2 1 UNL1111111111 -0.5060 4 N 1.9072 0.7672 -0.0004 N.am 1 UNL1111111111 -0.5807 5 C 0.7476 -0.0377 -0.0003 C.ar 1 UNL1111111111 0.2026 6 C -0.4879 0.6346 -0.0005 C.ar 1 UNL1111111111 -0.2020 7 C -1.6738 -0.0944 -0.0002 C.ar 1 UNL1111111111 -0.0909 8 C 0.7675 -1.4405 0.0001 C.ar 1 UNL1111111111 -0.1753 9 C -1.6598 -1.4895 0.0002 C.ar 1 UNL1111111111 -0.1236 10 C -0.4315 -2.1491 0.0001 C.ar 1 UNL1111111111 -0.1267 11 C 3.2284 0.3070 0.0001 C.2 1 UNL1111111111 0.6165 12 C -2.9337 0.6710 -0.0003 C.2 1 UNL1111111111 0.6387 13 C 4.2584 1.4030 0.0022 C.3 1 UNL1111111111 -0.5330 14 H -0.5307 1.7261 -0.0010 H 1 UNL1111111111 0.1771 15 H 1.7166 -1.9846 0.0006 H 1 UNL1111111111 0.1989 16 H -2.5941 -2.0518 0.0008 H 1 UNL1111111111 0.1758 17 H 1.7463 1.7714 -0.0005 H 1 UNL1111111111 0.3154 18 H -0.4035 -3.2397 0.0005 H 1 UNL1111111111 0.1599 19 H 4.1922 2.0369 -0.8922 H 1 UNL1111111111 0.1778 20 H 5.2718 0.9650 0.0107 H 1 UNL1111111111 0.1929 21 H 4.1811 2.0460 0.8891 H 1 UNL1111111111 0.1775 22 H -4.8813 0.3794 0.0019 H 1 UNL1111111111 0.3563 @BOND 1 1 12 1 2 1 22 1 3 2 11 2 4 3 12 2 5 4 5 1 6 4 11 am 7 4 17 1 8 5 6 ar 9 5 8 ar 10 6 7 ar 11 6 14 1 12 7 9 ar 13 7 12 1 14 8 10 ar 15 8 15 1 16 9 10 ar 17 9 16 1 18 10 18 1 19 11 13 1 20 13 19 1 21 13 20 1 22 13 21 1