ATOM 20
1 C1y C 18.6900 -22.8200
2 C1y C 18.6900 -24.2200
3 C1y C 19.9024 -24.9200
4 C1y C 21.1149 -24.2200
5 C1y C 21.1149 -22.8200
6 O2x O 19.9024 -22.1200
7 O2a O 22.3460 -22.1090
8 C1b C 17.4776 -22.1200
9 O1a O 19.9024 -26.3198
10 O1a O 17.4776 -24.9200
11 O1a O 22.3460 -24.9310
12 O1a O 16.2821 -22.8104
13 C8y C 23.5512 -22.8047
14 C8x C 23.5516 -24.2196
15 C8x C 24.7642 -24.9193
16 C8y C 25.9765 -24.2189
17 C8x C 25.9760 -22.8039
18 C8x C 24.7634 -22.1043
19 C1b C 27.1847 -24.9160
20 O1a O 28.3766 -24.2273
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Up
8 1 8 1 #Up
9 3 9 1 #Up
10 2 10 1 #Down
11 4 11 1 #Down
12 8 12 1
13 7 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 19 20 1
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