@MOLECULE 2-azido-7,8-dibromo-3-iodooxanthrene 24 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -5.2993 1.0890 0.0611 I 1 UNL1 0.0650 2 BR 5.4545 -1.5168 0.1153 Br 1 UNL1 0.0018 3 BR 5.1773 1.8276 -0.1585 Br 1 UNL1 0.0017 4 O 0.3030 -1.7125 0.1283 O.3 1 UNL1 -0.2048 5 O 0.0646 1.1742 -0.0888 O.3 1 UNL1 -0.2109 6 N -4.4663 -1.9940 0.4644 N.2 1 UNL1 -0.4278 7 N -4.9554 -2.7626 -0.3881 N.2 1 UNL1 0.4370 8 N -5.5759 -3.5012 -0.9864 N.2 1 UNL1 -0.1821 9 C -0.9069 -1.0565 0.1135 C.ar 1 UNL1 0.1151 10 C -1.0211 0.3367 0.0118 C.ar 1 UNL1 0.1222 11 C 1.3897 -0.8701 0.0639 C.ar 1 UNL1 0.1125 12 C 1.2753 0.5217 -0.0440 C.ar 1 UNL1 0.1133 13 C -2.0364 -1.8547 0.2096 C.ar 1 UNL1 -0.1919 14 C -2.2639 0.9592 0.0038 C.ar 1 UNL1 -0.1774 15 C 2.6371 -1.4809 0.1114 C.ar 1 UNL1 -0.1708 16 C 2.4035 1.3301 -0.1123 C.ar 1 UNL1 -0.1714 17 C -3.2964 -1.2324 0.2033 C.ar 1 UNL1 0.1284 18 C -3.4033 0.1608 0.0929 C.ar 1 UNL1 -0.0780 19 C 3.7681 -0.6667 0.0445 C.ar 1 UNL1 -0.0356 20 C 3.6538 0.7134 -0.0669 C.ar 1 UNL1 -0.0357 21 H -1.9448 -2.9376 0.3085 H 1 UNL1 0.1967 22 H -2.3133 2.0487 -0.0729 H 1 UNL1 0.1962 23 H 2.7056 -2.5682 0.1999 H 1 UNL1 0.1985 24 H 2.2902 2.4137 -0.1970 H 1 UNL1 0.1981 @BOND 1 8 7 2 2 7 6 2 3 24 16 1 4 3 20 1 5 16 20 ar 6 16 12 ar 7 5 12 1 8 5 10 1 9 22 14 1 10 20 19 ar 11 12 11 ar 12 14 10 ar 13 14 18 ar 14 10 9 ar 15 19 15 ar 16 19 2 1 17 1 18 1 18 11 15 ar 19 11 4 1 20 18 17 ar 21 15 23 1 22 9 4 1 23 9 13 ar 24 17 13 ar 25 17 6 1 26 13 21 1