ATOM 15
1 C1y C 16.3800 -14.6300
2 C1y C 17.7800 -14.6300
3 C1z C 18.2126 -13.2985
4 O2x O 17.0800 -12.4756
5 C1y C 15.9474 -13.2985
6 C1b C 14.6278 -12.8697
7 O1a O 18.6029 -15.7626
8 O1a O 15.5571 -15.7626
9 O1a O 19.4251 -13.9985
10 C1b C 19.2026 -12.3086
11 S4a S 13.2278 -12.8697
12 O1d O 13.2278 -11.4697
13 O1d O 11.8278 -12.8697
14 O1d O 13.2278 -14.2697
15 O1a O 20.5365 -12.6663
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Up
7 2 7 1 #Up
8 1 8 1 #Down
9 3 9 1 #Either
10 3 10 1 #Either
11 6 11 1
12 11 12 2
13 11 13 2
14 11 14 1
15 10 15 1
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