@MOLECULE 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3h)-yl)propanoic acid 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8924 -1.7302 -1.4993 O.2 1 UNL1 -0.3637 2 O -3.8011 1.2881 -0.3133 O.2 1 UNL1 -0.4007 3 O -2.4780 -0.4107 -0.7060 O.3 1 UNL1 -0.4612 4 N -0.7162 -1.0548 0.7379 N.am 1 UNL1 -0.3219 5 N 1.2171 0.7511 -0.1760 N.ar 1 UNL1 -0.4839 6 N 0.6478 -1.3802 0.7090 N.pl3 1 UNL1 -0.3376 7 C -1.1249 0.0519 1.6403 C.3 1 UNL1 -0.1001 8 C 1.6243 -0.4309 0.3488 C.ar 1 UNL1 0.3361 9 C -1.2741 -1.0702 -0.5810 C.2 1 UNL1 0.7135 10 C -1.6923 1.2499 0.8795 C.3 1 UNL1 -0.4238 11 C 2.1555 1.5823 -0.6693 C.ar 1 UNL1 0.1157 12 C 2.9868 -0.7982 0.4446 C.ar 1 UNL1 -0.3195 13 C 3.5208 1.2907 -0.6324 C.ar 1 UNL1 -0.3009 14 C 3.9310 0.0827 -0.0619 C.ar 1 UNL1 -0.0147 15 C -2.7525 0.7753 -0.0577 C.2 1 UNL1 0.6270 16 H -0.2802 0.3735 2.2872 H 1 UNL1 0.1558 17 H -1.9001 -0.3877 2.3173 H 1 UNL1 0.1676 18 H 0.8630 -1.9917 1.5024 H 1 UNL1 0.3180 19 H -2.0914 2.0171 1.5753 H 1 UNL1 0.1919 20 H -0.8843 1.7696 0.3032 H 1 UNL1 0.2198 21 H 1.7717 2.5150 -1.1031 H 1 UNL1 0.1729 22 H 3.2778 -1.7511 0.8729 H 1 UNL1 0.1763 23 H 4.2459 1.9869 -1.0412 H 1 UNL1 0.1736 24 H 4.9926 -0.1685 -0.0191 H 1 UNL1 0.1598 @BOND 1 1 9 2 2 21 11 1 3 23 13 1 4 3 9 1 5 3 15 1 6 11 13 ar 7 11 5 ar 8 13 14 ar 9 9 4 am 10 2 15 2 11 5 8 ar 12 14 24 1 13 14 12 ar 14 15 10 1 15 20 10 1 16 8 12 ar 17 8 6 1 18 12 22 1 19 6 4 1 20 6 18 1 21 4 7 1 22 10 19 1 23 10 7 1 24 7 16 1 25 7 17 1