ATOM 20
1 C8y C 23.3044 -16.9457
2 C8y C 23.2870 -15.5403
3 C8y C 24.4125 -17.6805
4 C8y C 21.9865 -17.5931
5 C8x C 24.5173 -14.8812
6 C8x C 22.0972 -14.7881
7 C8y C 25.7130 -17.0274
8 O1a O 24.4358 -19.0801
9 C8x C 20.8726 -16.8466
10 O1a O 22.0040 -18.9927
11 C8y C 25.7071 -15.6336
12 C8y C 20.8551 -15.4469
13 C8y C 26.8209 -17.7738
14 O2x O 26.8733 -14.9922
15 O2a O 19.6655 -14.6947
16 C8x C 28.1331 -17.1265
17 O5x O 26.8325 -19.1792
18 C8y C 28.1214 -15.7328
19 C1a C 18.4233 -15.3536
20 C1a C 29.3636 -15.0913
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 13 17 2
17 14 18 1
18 15 19 1
19 18 20 1
20 7 11 2
21 9 12 1
22 16 18 2
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