ATOM 22
1 C1y C 17.1500 -18.4800
2 C8y C 19.8100 -18.6200
3 C8x C 19.8100 -20.0200
4 C8x C 21.0224 -20.7200
5 C8y C 22.2349 -20.0200
6 C8x C 22.2349 -18.6200
7 C8y C 21.0224 -17.9200
8 O2a O 21.0224 -16.5202
9 O2a O 18.5976 -17.9200
10 C4a C 23.4660 -20.7310
11 O4a O 24.6712 -20.0353
12 C1a C 22.2348 -15.8202
13 O2x O 15.9376 -17.7800
14 C1y C 14.7251 -18.4800
15 C1y C 14.7251 -19.8800
16 C1y C 15.9376 -20.5800
17 C1y C 17.1500 -19.8800
18 O1a O 15.9376 -21.9798
19 C1b C 13.4940 -17.7690
20 O1a O 12.2888 -18.4647
21 O1a O 13.4940 -20.5910
22 O1a O 18.3624 -20.5800
BOND 23
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 7 8 1
8 2 9 1
9 5 10 1
10 10 11 2
11 8 12 1
12 1 9 1 #Up
13 1 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 1 17 1
19 16 18 1 #Up
20 14 19 1 #Up
21 19 20 1
22 15 21 1 #Down
23 17 22 1 #Down
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