ATOM 13
1 C8y C 15.4700 -19.4600
2 N5x N 15.4700 -20.8600
3 C8x C 16.6824 -21.5600
4 C8y C 17.8949 -20.8600
5 C8x C 17.8949 -19.4600
6 N5x N 16.6824 -18.7600
7 S2a S 14.2576 -18.7600
8 C1a C 13.0621 -19.4504
9 O2a O 19.1260 -21.5710
10 C1b C 20.3312 -20.8753
11 C3b C 21.5135 -21.5581
12 C3b C 22.7260 -22.2581
13 X I 23.9384 -22.9581
BOND 13
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 1 7 1
8 7 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 3
13 12 13 1
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