@MOLECULE 1h,5h-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7(2h,6h)-tetrone 14 15 0 0 0 SMALL USER_CHARGES @ATOM 1 N1 0.7177 -0.0026 0.4559 N.ar 1 UNCH1111111111 -0.3899 2 C1 1.1821 1.2901 0.0054 C.ar 1 UNCH1111111111 0.6845 3 N2 0.0068 2.0480 -0.2161 N.ar 1 UNCH1111111111 -0.6462 4 C2 -1.1731 1.2982 0.0072 C.ar 1 UNCH1111111111 0.6843 5 N3 -0.7170 0.0024 0.4579 N.ar 1 UNCH1111111111 -0.3888 6 C3 -1.1821 -1.2894 0.0057 C.ar 1 UNCH1111111111 0.6840 7 N4 -0.0074 -2.0472 -0.2194 N.ar 1 UNCH1111111111 -0.6463 8 C4 1.1730 -1.2989 0.0061 C.ar 1 UNCH1111111111 0.6846 9 O1 2.3130 1.6497 -0.0946 O.2 1 UNCH1111111111 -0.3501 10 O2 -2.3018 1.6630 -0.0987 O.2 1 UNCH1111111111 -0.3503 11 O3 -2.3131 -1.6490 -0.0928 O.2 1 UNCH1111111111 -0.3500 12 O4 2.3019 -1.6642 -0.0959 O.2 1 UNCH1111111111 -0.3501 13 H1 0.0104 3.0344 -0.4338 H 1 UNCH1111111111 0.3671 14 H2 -0.0117 -3.0330 -0.4398 H 1 UNCH1111111111 0.3671 @BOND 1 1 2 ar 2 1 5 ar 3 1 8 ar 4 2 3 ar 5 2 9 2 6 3 4 ar 7 3 13 1 8 4 5 ar 9 4 10 2 10 5 6 ar 11 6 7 ar 12 6 11 2 13 7 8 ar 14 7 14 1 15 8 12 2