@MOLECULE quinoxalinic acid 19 20 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT 3.0177 1.4988 0.0025 O.3 1 UNL11111111 -0.4751 2 O 3.6853 -0.6287 -0.0009 O.2 1 UNL11111111 -0.4901 3 N 0.4675 0.8460 -0.0007 N.2 1 UNL11111111 -0.2403 4 N -0.3774 -1.8448 -0.0014 N.2 1 UNL11111111 -0.3208 5 C -0.8658 0.5342 -0.0013 C.ar 1 UNL11111111 0.0469 6 C -1.3022 -0.8248 0.0004 C.ar 1 UNL11111111 0.1087 7 C -1.8218 1.5880 -0.0018 C.ar 1 UNL11111111 -0.1100 8 C -2.6954 -1.1152 0.0021 C.ar 1 UNL11111111 -0.1460 9 CA 1.3320 -0.1510 -0.0010 C.2 1 UNL11111111 -0.0217 10 C -3.1541 1.2738 -0.0002 C.ar 1 UNL11111111 -0.1511 11 C -3.5918 -0.0776 0.0013 C.ar 1 UNL11111111 -0.1177 12 C 0.9028 -1.5290 0.0005 C.2 1 UNL11111111 0.0363 13 C 2.7845 0.1717 0.0000 C.2 1 UNL11111111 0.6300 14 H -1.4575 2.6178 -0.0038 H 1 UNL11111111 0.1832 15 H -3.0112 -2.1600 0.0034 H 1 UNL11111111 0.1822 16 H -3.9073 2.0638 -0.0009 H 1 UNL11111111 0.1647 17 H 1.6410 -2.3440 -0.0001 H 1 UNL11111111 0.2097 18 H -4.6662 -0.2728 0.0021 H 1 UNL11111111 0.1631 19 HXT 3.9911 1.7116 0.0048 H 1 UNL11111111 0.3480 @BOND 1 14 7 1 2 2 13 2 3 7 5 ar 4 7 10 ar 5 3 5 2 6 3 9 2 7 5 6 ar 8 16 10 1 9 10 11 ar 10 9 13 1 11 9 12 1 12 6 4 2 13 6 8 ar 14 13 1 1 15 12 4 2 16 12 17 1 17 11 8 ar 18 11 18 1 19 8 15 1 20 1 19 1