@MOLECULE 5-anilino-3-phenyl-1,2,3,4-oxatriazol-3-ium 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.7885 2.2995 0.2948 O.2 1 UNL1 0.0123 2 N -2.0796 0.5749 0.0515 N.pl3 1 UNL1 0.3219 3 N 1.2372 1.5514 -0.6470 N.pl3 1 UNL1 -0.2194 4 N -0.8217 0.1673 -0.3660 N.2 1 UNL1 -0.3005 5 N -2.0637 1.8202 0.4538 N.4 1 UNL1 -0.0778 6 C -3.1597 -0.2815 0.0383 C.ar 1 UNL1 -0.0998 7 C 2.2735 0.9196 -0.3768 C.1 1 UNL1 0.1386 8 C -0.0337 1.2402 -0.2183 C.2 1 UNL1 0.3368 9 C -4.4496 0.2479 0.4671 C.ar 1 UNL1 -0.0244 10 C -3.1009 -1.6271 -0.3573 C.ar 1 UNL1 -0.0996 11 C 3.4364 0.3945 -0.2018 C.1 1 UNL1 0.1140 12 C 8.0717 -1.7228 0.4139 C.3 1 UNL1 0.5322 13 C -5.3887 -0.7310 0.3953 C.ar 1 UNL1 -0.1059 14 C -4.1321 -2.3773 -0.3438 C.ar 1 UNL1 -0.0576 15 C -5.3542 -1.9623 0.0396 C.ar 1 UNL1 0.0100 16 C 4.5848 -0.1242 -0.0397 C.1 1 UNL1 -0.2395 17 C 6.8996 -1.1810 0.2659 C.3 1 UNL1 -0.6865 18 C 5.7507 -0.6555 0.1169 C.1 1 UNL1 0.4454 @BOND 1 3 7 1 2 3 8 1 3 7 11 3 4 4 8 2 5 4 2 1 6 10 14 ar 7 10 6 ar 8 14 15 ar 9 8 1 1 10 11 16 1 11 16 18 3 12 6 2 1 13 6 9 ar 14 15 13 ar 15 2 5 1 16 18 17 1 17 17 12 1 18 1 5 1 19 13 9 ar