@MOLECULE 5,7-dinitro-2,1,3-benzoxadiazole-4,6-diamine 3-oxide 18 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.1838 0.8457 -0.0026 C.2 1 UNL1 0.2051 2 C -0.1087 1.4356 -0.0007 C.3 1 UNL1 -0.2417 3 C 1.2983 -0.6250 0.0024 C.3 1 UNL1 -0.2416 4 C -1.1892 -0.8123 -0.0031 C.3 1 UNL1 -0.2418 5 C -1.3256 0.6020 -0.0050 C.2 1 UNL1 0.2051 6 C 0.1411 -1.4493 0.0055 C.2 1 UNL1 0.2054 7 N 2.6166 -0.8998 -0.0007 N.4 1 UNL1 0.3895 8 N 2.4000 1.3656 -0.0091 N.2 1 UNL1 -0.2132 9 N -0.5286 2.7152 0.0046 N.4 1 UNL1 0.3895 10 N -2.0876 -1.8154 -0.0030 N.4 1 UNL1 0.3893 11 O 3.3188 0.3590 -0.0086 O.2 1 UNL1 0.0776 12 O 3.2944 -1.8879 0.0012 O.3 1 UNL1 -0.2174 13 O -0.0098 3.7953 0.0128 O.3 1 UNL1 -0.2174 14 O -1.3499 -3.0534 0.0081 O.2 1 UNL1 0.0779 15 O -1.9695 2.6947 0.0005 O.2 1 UNL1 0.0776 16 O -3.2825 -1.9047 -0.0108 O.3 1 UNL1 -0.2175 17 N -2.3834 1.3964 -0.0049 N.2 1 UNL1 -0.2130 18 N -0.0185 -2.7626 0.0124 N.2 1 UNL1 -0.2133 @BOND 1 16 10 1 2 8 11 1 3 8 1 2 4 11 7 1 5 5 17 2 6 5 4 1 7 5 2 1 8 17 15 1 9 4 10 1 10 4 6 1 11 10 14 1 12 1 2 1 13 1 3 1 14 7 12 1 15 7 3 1 16 2 9 1 17 15 9 1 18 3 6 1 19 9 13 1 20 6 18 2 21 14 18 1