ATOM 20
1 C1b C 25.5700 -19.8789
2 C1b C 26.7818 -20.5826
3 C1b C 24.3582 -20.5826
4 C3b C 27.9934 -19.8789
5 C1b C 23.1588 -19.8789
6 C3b C 29.2053 -19.1811
7 C1b C 21.9470 -20.5826
8 C1b C 30.4169 -18.4774
9 C1b C 20.7353 -19.8789
10 C1b C 31.6287 -19.1811
11 C1b C 19.5235 -20.5826
12 C1b C 32.8343 -18.4774
13 C6a C 18.3117 -19.8789
14 C1b C 34.0399 -19.1811
15 O6a O 17.1000 -20.5826
16 O6a O 18.3117 -18.4774
17 C1b C 35.2518 -18.4774
18 C1b C 36.4634 -19.1811
19 C1b C 37.6752 -18.4774
20 C1a C 38.8869 -19.1811
BOND 19
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 3
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 17 18 1
18 18 19 1
19 19 20 1
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