ATOM 17
1 C8y C 20.3082 -17.5806
2 C8y C 20.3082 -18.9983
3 C8x C 21.5360 -19.7072
4 C8y C 22.7639 -18.9983
5 C8y C 22.7639 -17.5806
6 C8x C 21.5360 -16.8718
7 C1z C 24.0045 -16.8644
8 C1z C 25.2779 -17.4314
9 C1y C 26.2107 -16.3956
10 C1x C 25.5138 -15.1883
11 C1x C 24.1503 -15.4780
12 C1a C 22.7983 -16.0808
13 C1a C 25.2779 -18.8483
14 C1x C 26.6948 -17.4314
15 C1a C 19.0771 -19.7091
16 X Br 19.0679 -16.8646
17 O1a O 23.9952 -19.7093
BOND 19
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 7 12 1 #Up
14 8 13 1 #Up
15 8 14 1 #Down
16 9 14 1 #Down
17 2 15 1
18 1 16 1
19 4 17 1
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