ATOM 20
1 C8y C 26.1866 -19.2035
2 C8y C 26.1807 -20.6085
3 C5x C 27.4052 -18.5098
4 C8y C 24.9798 -18.5039
5 C5x C 27.3935 -21.3082
6 C8x C 24.9798 -21.3082
7 C2y C 28.6119 -19.2152
8 O5x O 27.4109 -17.1046
9 C8x C 23.7613 -19.2035
10 O2a O 24.9798 -17.0989
11 C2y C 28.6002 -20.6145
12 O5x O 27.3935 -22.7134
13 C8x C 23.7613 -20.6085
14 O2x O 29.8304 -18.5272
15 C1a C 23.7670 -16.3992
16 C1x C 29.8071 -21.3198
17 C1z C 31.0373 -19.2385
18 C1x C 31.0256 -20.6378
19 C1a C 32.2558 -18.5446
20 C1a C 32.2441 -19.9322
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 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 7 14 1
14 10 15 1
15 11 16 1
16 14 17 1
17 16 18 1
18 17 19 1
19 17 20 1
20 7 11 2
21 9 13 1
22 17 18 1
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