ATOM 20
1 C8y C 21.7132 -14.3912
2 C8y C 21.7075 -15.7903
3 O2x O 23.0483 -13.9714
4 C8x C 20.5008 -13.6975
5 C5x C 23.0309 -16.2334
6 C8x C 20.5008 -16.5015
7 C2y C 23.8645 -15.1081
8 C8y C 19.2941 -14.3912
9 O5x O 23.4621 -17.5741
10 C8x C 19.2941 -15.7960
11 O1a O 18.0757 -13.6975
12 C2b C 25.2700 -15.1185
13 C8y C 25.9783 -13.9124
14 C8x C 27.3700 -13.9228
15 C8y C 28.0790 -12.7157
16 C8y C 27.3881 -11.4980
17 C8x C 25.9965 -11.4876
18 C8x C 25.2874 -12.6948
19 O1a O 28.1004 -10.2856
20 O1a O 29.4699 -12.7262
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 6 10 2
10 8 11 1
11 5 7 1
12 8 10 1
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 15 20 1
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