ATOM 20
1 C8y C 24.6843 -18.6198
2 C8y C 24.6843 -20.0133
3 C8y C 25.8912 -20.7101
4 C8x C 27.0983 -20.0133
5 C8y C 27.0983 -18.6198
6 O2x O 25.8912 -17.9229
7 C8x C 23.4773 -17.9229
8 C8x C 22.2701 -18.6198
9 C8y C 22.2701 -20.0133
10 C8x C 23.4773 -20.7101
11 C8y C 28.3238 -17.9118
12 C8x C 29.5235 -18.6046
13 C8x C 30.7303 -17.9074
14 C8x C 30.7303 -16.5136
15 C8x C 29.5306 -15.8212
16 C8y C 28.3237 -16.5180
17 O5x O 25.8911 -22.1247
18 O2a O 27.1320 -15.8298
19 C1a C 27.1319 -14.4203
20 O1a O 21.0472 -20.7194
BOND 22
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 5 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 3 17 2
20 16 18 1
21 18 19 1
22 9 20 1
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