ATOM 25
1 C8y C 38.2522 -28.2399
2 C8x C 38.2522 -29.6418
3 C8y C 39.4662 -30.3428
4 C8y C 40.6804 -29.6418
5 C8x C 40.6804 -28.2399
6 C8x C 39.4662 -27.5390
7 C2b C 37.0382 -27.5390
8 C2b C 35.8240 -28.2399
9 C7a C 34.6100 -27.5390
10 O7a O 33.3960 -28.2399
11 O6a O 34.6100 -26.1371
12 C1y C 32.1967 -27.5475
13 C1x C 32.1967 -26.1374
14 C1z C 30.9826 -25.4364
15 C1x C 29.7686 -26.1374
16 C1y C 29.7686 -27.5475
17 C1y C 30.9827 -28.2484
18 O1a O 30.9826 -29.6417
19 O1a O 28.5598 -28.2454
20 O1a O 29.9914 -24.4452
21 C6a C 31.6835 -24.2224
22 O6a O 33.0650 -24.2227
23 O6a O 30.9873 -23.0165
24 O1a O 39.4665 -31.7099
25 O1a O 41.8713 -30.3290
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 9 11 2
12 12 10 1 #Up
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 17 18 1 #Up
20 16 19 1 #Down
21 14 20 1 #Up
22 14 21 1 #Down
23 21 22 1
24 21 23 2
25 3 24 1
26 4 25 1
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