ATOM 15
1 C8x C 13.9300 -17.5700
2 N5x N 13.9300 -18.9700
3 C8x C 15.1424 -19.6700
4 C8x C 16.3549 -18.9700
5 C8y C 16.3549 -17.5700
6 C8x C 15.1424 -16.8700
7 C5a C 17.5924 -16.8700
8 N1b N 18.8049 -17.5700
9 N1b N 20.0173 -16.8700
10 C1b C 21.2297 -17.5700
11 S4a S 22.4422 -16.8700
12 O5a O 17.5986 -15.4703
13 O1d O 23.6546 -16.1700
14 O1d O 23.0880 -18.1262
15 O1d O 21.8080 -15.6364
BOND 15
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 12 2
13 11 13 1
14 11 14 2
15 11 15 2
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