ATOM 16
1 C1y C 27.7666 -21.0969
2 C1y C 28.9699 -21.7856
3 O2x O 26.5752 -21.7794
4 S2a S 27.7487 -19.5943
5 C1y C 28.9640 -23.1745
6 O1a O 30.1613 -21.1089
7 C1y C 26.5752 -23.1684
8 C2c C 27.7606 -18.2111
9 C1y C 27.7606 -23.8690
10 O1a O 30.1554 -23.8809
11 C1b C 25.3717 -23.8869
12 R R 26.4495 -17.4629
13 N2b N 28.9580 -17.5167
14 O1a O 27.7487 -25.2400
15 O1a O 24.1564 -23.1984
16 O1b O 30.1675 -18.2053
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 7 11 1 #Up
11 8 12 1
12 8 13 2
13 9 14 1 #Down
14 11 15 1
15 13 16 1
16 7 9 1
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