ATOM 20
1 C8y C 22.7651 -16.4859
2 C8y C 22.7651 -15.0806
3 C8x C 23.9837 -17.1796
4 O2x O 21.4298 -16.9115
5 C8x C 23.9837 -14.3752
6 O2x O 21.4357 -14.6492
7 C8y C 25.1964 -16.4859
8 C1x C 20.6077 -15.7745
9 C8x C 25.1964 -15.0806
10 C2b C 26.4033 -17.1796
11 C2b C 27.6160 -16.4916
12 C1y C 28.8229 -17.1856
13 C1x C 28.8229 -18.5849
14 O7x O 30.0299 -16.4916
15 C2y C 30.0299 -19.2903
16 C7x C 31.2427 -17.1913
17 C2x C 31.2427 -18.5907
18 O2a O 30.0241 -20.6955
19 O6a O 32.4613 -16.4975
20 C1a C 31.2427 -21.3951
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 2
7 4 8 1
8 5 9 2
9 7 10 1
10 10 11 2
11 11 12 1
12 12 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 2
17 15 18 1
18 16 19 2
19 18 20 1
20 6 8 1
21 7 9 1
22 16 17 1
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