ATOM 22
1 C1y C 24.5501 -24.8551
2 O2x O 23.3325 -24.1526
3 C1y C 24.5501 -26.2599
4 O7a O 25.7735 -24.1584
5 C1y C 22.1209 -24.8551
6 C1y C 23.3325 -26.9563
7 O1a O 25.7675 -27.1663
8 C1y C 22.1209 -26.2599
9 C1b C 20.9210 -24.1526
10 O1a O 23.3325 -28.3552
11 O1a O 20.9210 -26.9563
12 O1a O 19.8499 -25.0599
13 C7a C 26.9724 -24.8500
14 C2b C 28.1849 -24.1500
15 C2b C 29.3973 -24.8500
16 C8y C 30.6097 -24.1500
17 O6a O 26.9724 -26.1100
18 C8x C 31.8073 -24.8415
19 C8x C 33.0198 -24.1416
20 C8x C 33.0199 -22.7416
21 C8x C 31.8224 -22.0501
22 C8x C 30.6099 -22.7500
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 9 12 1
12 6 8 1
13 4 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 13 17 2
18 16 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 16 22 1
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