ATOM 21
1 C8x C 19.5300 -19.5300
2 C8y C 19.5300 -18.1300
3 C8x C 20.7900 -17.4300
4 C8y C 21.9800 -18.1300
5 C8x C 21.9800 -19.5300
6 C8y C 20.7900 -20.2300
7 O1a O 20.7900 -21.6300
8 O1a O 18.3400 -17.4300
9 C1b C 23.1700 -17.4300
10 C1b C 24.4300 -18.1300
11 C1b C 25.6200 -17.5000
12 C1b C 26.8100 -18.1300
13 C1b C 28.0700 -17.5000
14 C1b C 29.2600 -18.2000
15 C1b C 30.4500 -17.5000
16 C1b C 31.7100 -18.2000
17 C1b C 32.9000 -17.5000
18 C1b C 34.0900 -18.2000
19 C1b C 35.3500 -17.5000
20 C1b C 36.5400 -18.2000
21 C1a C 37.7300 -17.5000
BOND 21
1 4 5 1
2 10 11 1
3 5 6 2
4 11 12 1
5 6 1 1
6 12 13 1
7 13 14 1
8 6 7 1
9 14 15 1
10 1 2 2
11 15 16 1
12 2 8 1
13 16 17 1
14 2 3 1
15 17 18 1
16 4 9 1
17 18 19 1
18 3 4 2
19 19 20 1
20 9 10 1
21 20 21 1
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