@MOLECULE 4-azidophenyl disulfide 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.6639 -2.8770 -0.8751 S.3 1 UNL1 0.1239 2 S -0.7029 -2.9650 0.5887 S.3 1 UNL1 0.1294 3 N 4.5547 1.7206 0.4543 N.2 1 UNL1 -0.3798 4 N -4.5632 1.8232 0.0964 N.2 1 UNL1 -0.3785 5 N 4.2919 2.9430 0.2892 N.2 1 UNL1 0.4352 6 N -4.2425 2.9759 -0.2938 N.2 1 UNL1 0.4344 7 N 4.2790 4.0714 0.2265 N.2 1 UNL1 -0.1051 8 N -4.1910 4.0623 -0.6049 N.2 1 UNL1 -0.1212 9 C 1.7412 -1.5853 -0.4809 C.ar 1 UNL1 -0.1598 10 C -1.7610 -1.6116 0.3805 C.ar 1 UNL1 -0.1152 11 C 3.0402 -1.5990 0.0311 C.ar 1 UNL1 0.0543 12 C -3.1277 -1.5154 0.6411 C.ar 1 UNL1 0.0107 13 C 1.5687 -0.2065 -0.6327 C.ar 1 UNL1 0.1170 14 C -1.5027 -0.2950 -0.0055 C.ar 1 UNL1 0.0584 15 C 3.6312 0.7429 0.1342 C.ar 1 UNL1 0.3281 16 C -3.6308 0.8003 0.1593 C.ar 1 UNL1 0.2874 17 C 3.8282 -0.6373 0.2822 C.ar 1 UNL1 -0.1305 18 C -3.9045 -0.5157 0.5568 C.ar 1 UNL1 -0.0946 19 C 2.3300 0.7775 -0.3855 C.ar 1 UNL1 -0.2685 20 C -2.2589 0.7184 -0.1118 C.ar 1 UNL1 -0.2256 @BOND 1 1 9 1 2 1 2 1 3 13 9 ar 4 13 19 ar 5 8 6 2 6 9 11 ar 7 19 15 ar 8 6 4 2 9 20 14 ar 10 20 16 ar 11 14 10 ar 12 11 17 ar 13 4 16 1 14 15 17 ar 15 15 3 1 16 16 18 ar 17 7 5 2 18 5 3 2 19 10 2 1 20 10 12 ar 21 18 12 ar