ATOM 21
1 C8y C 25.4100 -28.7700
2 C8y C 25.4100 -30.1700
3 C8x C 26.6000 -30.8700
4 C8x C 27.7900 -30.1700
5 C8y C 27.7900 -28.7700
6 C8x C 26.6000 -28.0700
7 O1a O 24.2200 -30.8700
8 C2b C 29.0500 -28.0700
9 C2b C 30.2400 -28.7700
10 C5a C 31.5000 -28.0700
11 C2b C 32.6900 -28.7700
12 C2c C 33.8800 -28.0700
13 C1b C 35.1400 -28.7700
14 C1b C 36.3300 -28.0700
15 C1b C 37.5200 -28.7700
16 C1b C 38.7800 -28.0700
17 C1a C 39.9700 -28.7700
18 O5a O 31.5000 -26.6700
19 O1a O 33.8800 -26.6700
20 O2a O 24.1500 -28.0700
21 C1a C 22.9493 -28.7899
BOND 21
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 10 18 2
19 12 19 1
20 1 20 1
21 20 21 1
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