@MOLECULE 1-methyl-3-phenyl-1,2,4-triazin-1-ium-5-olate 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8489 2.3026 -0.2582 O.2 1 UNL1 -0.4182 2 N 2.1529 -1.1292 0.1296 N.pl3 1 UNL1 0.2512 3 N 0.8310 -1.1455 0.1196 N.2 1 UNL1 -0.4768 4 N 0.8188 1.2445 -0.1433 N.am 1 UNL1 -0.5473 5 C -1.2811 0.0335 -0.0152 C.ar 1 UNL1 -0.0637 6 C 0.1924 0.0892 -0.0214 C.2 1 UNL1 0.3845 7 C -2.0019 1.1492 0.4228 C.ar 1 UNL1 -0.0760 8 C -1.9513 -1.1149 -0.4471 C.ar 1 UNL1 -0.0947 9 C 2.8922 -0.0431 0.0089 C.3 1 UNL1 -0.3451 10 C 2.7599 -2.4586 0.3006 C.3 1 UNL1 -0.2962 11 C -3.3935 1.1055 0.4425 C.ar 1 UNL1 -0.1706 12 C -3.3431 -1.1476 -0.4319 C.ar 1 UNL1 -0.1730 13 C 2.2206 1.2813 -0.1450 C.2 1 UNL1 0.5688 14 C -4.0628 -0.0411 0.0177 C.ar 1 UNL1 -0.1113 15 H -1.4675 2.0513 0.7374 H 1 UNL1 0.1830 16 H -1.3856 -1.9813 -0.7928 H 1 UNL1 0.1647 17 H 3.9775 -0.0593 0.0202 H 1 UNL1 0.2064 18 H 3.3806 -2.7156 -0.5775 H 1 UNL1 0.1789 19 H 3.3849 -2.4824 1.2127 H 1 UNL1 0.1790 20 H 1.9786 -3.2439 0.4057 H 1 UNL1 0.2020 21 H -3.9577 1.9699 0.7873 H 1 UNL1 0.1557 22 H -3.8673 -2.0383 -0.7713 H 1 UNL1 0.1517 23 H -5.1509 -0.0725 0.0340 H 1 UNL1 0.1468 @BOND 1 16 8 1 2 22 12 1 3 18 10 1 4 8 12 ar 5 8 5 ar 6 12 14 ar 7 1 13 2 8 13 4 am 9 13 9 1 10 4 6 1 11 6 5 1 12 6 3 2 13 5 7 ar 14 9 17 1 15 9 2 1 16 14 23 1 17 14 11 ar 18 3 2 1 19 2 10 1 20 10 20 1 21 10 19 1 22 7 11 ar 23 7 15 1 24 11 21 1