ATOM 20
1 C8x C 10.0100 -4.4100
2 C8x C 10.0100 -5.8100
3 C8y C 11.2224 -6.5100
4 C8y C 12.4349 -5.8100
5 C8y C 12.4349 -4.4100
6 C8y C 11.2224 -3.7100
7 C5x C 13.6473 -6.5100
8 C2x C 14.8597 -5.8100
9 C2y C 14.8597 -4.4100
10 C5x C 13.6473 -3.7100
11 O1a O 11.2224 -2.3102
12 O1a O 11.2224 -7.9098
13 O5x O 13.6473 -7.9100
14 O5x O 13.6473 -2.3100
15 C1b C 16.0573 -3.7185
16 C1b C 17.2456 -4.4045
17 C2b C 17.2456 -5.8045
18 C2c C 18.4580 -6.5045
19 C1a C 18.4580 -7.9045
20 C1a C 19.6844 -5.7962
BOND 21
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 6 11 1
13 3 12 1
14 7 13 2
15 10 14 2
16 9 15 1
17 15 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 18 20 1
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