ATOM 20
1 C8x C 5.8100 -17.9200
2 C8x C 5.8100 -19.3200
3 C8x C 7.0224 -20.0200
4 N5y N 8.2349 -19.3200 #+
5 C8y C 8.2349 -17.9200
6 C8x C 7.0224 -17.2200
7 C8x C 9.4473 -20.0200
8 C8x C 10.6597 -19.3200
9 C8y C 10.6597 -17.9200
10 C8x C 9.4473 -17.2200
11 N1b N 11.8573 -17.2285
12 C8y C 13.0456 -17.9145
13 C8x C 13.0457 -19.3198
14 C8x C 14.2581 -20.0197
15 C8y C 15.4705 -19.3196
16 C8y C 15.4704 -17.9144
17 C8x C 14.2580 -17.2145
18 X Cl 16.6828 -20.0194
19 X Cl 16.6801 -17.2159
20 X Br 8.1200 -21.2800 #-
BOND 21
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 16 19 1
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