ATOM 16
1 C1y C 28.5163 -15.2572
2 C1y C 27.3438 -15.9238
3 C1y C 28.5163 -13.9057
4 N1b N 29.6829 -15.9238
5 C1y C 26.1835 -15.2572
6 O1a O 27.3438 -17.2631
7 O2x O 27.3438 -13.2391
8 O1a O 29.6829 -13.2391
9 C1y C 26.1835 -13.9057
10 O1a O 25.0293 -15.9238
11 C1b C 25.0293 -13.2391
12 O1a O 24.0048 -14.1032
13 S4a S 31.0829 -15.9238
14 O1d O 32.4829 -15.9238
15 O1d O 31.0829 -14.5238
16 O1d O 31.0829 -17.3238
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Either
8 5 9 1
9 5 10 1 #Down
10 9 11 1 #Up
11 11 12 1
12 7 9 1
13 4 13 1
14 13 14 1
15 13 15 2
16 13 16 2
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