@MOLECULE 2-azidoisophthalic acid 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.2879 1.3588 0.0633 O.3 1 UNL1 -0.5403 2 O -3.4943 0.0274 0.8316 O.3 1 UNL1 -0.5614 3 O 2.7554 -0.7963 0.0348 O.2 1 UNL1 -0.5596 4 O -2.8260 -1.2971 -0.8339 O.2 1 UNL1 -0.4609 5 N -0.1189 -1.4205 0.1889 N.2 1 UNL1 -0.4430 6 N 0.8326 -2.2377 0.0743 N.2 1 UNL1 0.4719 7 N 1.4533 -3.1783 0.0159 N.2 1 UNL1 -0.0876 8 C -0.0955 -0.0431 0.0169 C.ar 1 UNL1 0.3354 9 C 1.0043 0.8381 -0.0270 C.ar 1 UNL1 -0.3014 10 C -1.4051 0.5052 -0.0550 C.ar 1 UNL1 -0.2125 11 C 0.7830 2.2229 -0.1102 C.ar 1 UNL1 0.0253 12 C -1.5973 1.8780 -0.1054 C.ar 1 UNL1 0.0204 13 C -0.5000 2.7434 -0.1398 C.ar 1 UNL1 -0.2545 14 C 2.3795 0.3537 0.0245 C.2 1 UNL1 0.6720 15 C -2.5843 -0.3801 -0.0987 C.2 1 UNL1 0.6588 16 H 1.6446 2.9013 -0.1477 H 1 UNL1 0.1773 17 H -2.6145 2.2837 -0.1240 H 1 UNL1 0.1707 18 H -0.6578 3.8188 -0.1903 H 1 UNL1 0.1692 19 H 4.2256 1.0290 0.0956 H 1 UNL1 0.3659 20 H -4.3018 -0.5426 0.8620 H 1 UNL1 0.3543 @BOND 1 4 15 2 2 18 13 1 3 16 11 1 4 13 11 ar 5 13 12 ar 6 17 12 1 7 11 9 ar 8 12 10 ar 9 15 10 1 10 15 2 1 11 10 8 ar 12 9 8 ar 13 9 14 1 14 7 6 2 15 8 5 1 16 14 3 2 17 14 1 1 18 1 19 1 19 6 5 2 20 2 20 1