ATOM 25
1 C8x C 20.9445 -16.9832
2 C8y C 20.9445 -18.3869
3 C8x C 22.1569 -19.0852
4 C8y C 23.3693 -18.3869
5 C8x C 23.3693 -16.9832
6 C8y C 22.1569 -16.2778
7 O1a O 22.1586 -14.8743
8 O1a O 19.7284 -19.0857
9 C1b C 24.5770 -19.0781
10 C1b C 25.7903 -18.3798
11 C1b C 27.0035 -19.0710
12 C1b C 28.2166 -18.3727
13 C1b C 29.4298 -19.0641
14 C1b C 30.6431 -18.3658
15 C1b C 31.8492 -19.0570
16 C1b C 33.0623 -18.3587
17 C1b C 34.2756 -19.0498
18 C1b C 35.4888 -18.3516
19 C1b C 36.7019 -19.0429
20 C2b C 37.9152 -18.3446
21 C2b C 37.9080 -16.9409
22 C1b C 36.6880 -16.2416
23 C1b C 35.4746 -16.9409
24 C1b C 34.2615 -16.2355
25 C1a C 33.0483 -16.9409
BOND 25
1 6 1 1
2 12 13 1
3 13 14 1
4 6 7 1
5 14 15 1
6 1 2 2
7 15 16 1
8 2 8 1
9 16 17 1
10 2 3 1
11 17 18 1
12 4 9 1
13 18 19 1
14 3 4 2
15 19 20 1
16 9 10 1
17 20 21 2
18 4 5 1
19 21 22 1
20 10 11 1
21 22 23 1
22 5 6 2
23 23 24 1
24 11 12 1
25 24 25 1
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