ATOM 20
1 C1y C 26.4889 -20.2357
2 O2a O 27.6968 -19.5297
3 O2x O 25.2753 -19.5297
4 C1y C 26.4889 -21.6362
5 C8y C 28.9107 -20.2240
6 C1y C 24.0557 -20.2357
7 C1y C 25.2753 -22.3364
8 O1a O 27.6968 -22.3364
9 C8y C 30.1243 -19.5238
10 C8x C 28.9107 -21.6186
11 C1y C 24.0557 -21.6362
12 C1b C 22.8420 -19.5297
13 O1a O 25.2753 -23.7426
14 C8x C 31.3265 -20.2240
15 C1b C 30.1243 -18.1292
16 C8x C 30.1243 -22.3131
17 O1a O 22.8420 -22.3364
18 O1a O 21.6224 -20.2357
19 C8x C 31.3265 -21.6186
20 O1a O 31.3380 -17.4290
BOND 21
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 2
14 9 15 1
15 10 16 1
16 11 17 1 #Down
17 12 18 1
18 14 19 1
19 15 20 1
20 7 11 1
21 16 19 2
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