ATOM 21
1 C8y C 27.0572 -20.1650
2 C8x C 27.0848 -21.5702
3 C2b C 25.8649 -19.4357
4 C8x C 28.2901 -19.4972
5 C8x C 28.2150 -22.3019
6 C8y C 29.4854 -20.2316
7 C8y C 29.4477 -21.6339
8 O1a O 30.6402 -22.3633
9 O1a O 30.7142 -19.5659
10 C2b C 24.5979 -20.1248
11 C7a C 23.3677 -19.3727
12 O7a O 22.1405 -20.0408
13 O6a O 23.4026 -17.9902
14 C1b C 20.9218 -19.2960
15 C1b C 19.6886 -19.9673
16 C8y C 18.4728 -19.2243
17 C8x C 18.5073 -17.8503
18 C8x C 17.3128 -17.1201
19 C8x C 16.0832 -17.7895
20 C8x C 16.0487 -19.1635
21 C8x C 17.2432 -19.8936
BOND 22
1 7 8 1
2 6 7 2
3 1 2 1
4 1 3 1
5 6 9 1
6 1 4 2
7 2 5 2
8 4 6 1
9 5 7 1
10 3 10 2
11 10 11 1
12 11 12 1
13 11 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
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