ATOM 21
1 C1y C 36.1200 -26.2500
2 C8y C 37.3800 -25.5500
3 O2x O 34.9300 -25.5500
4 C1y C 36.1200 -27.6500
5 C8x C 37.3800 -24.1500
6 C8x C 38.5700 -26.3200
7 C8y C 33.7400 -26.2500
8 C1x C 34.9300 -28.3500
9 O1a O 37.3800 -28.3500
10 C8y C 38.5700 -23.4500
11 C8x C 39.8300 -25.6200
12 C8y C 33.7400 -27.6500
13 C8x C 32.4800 -25.5500
14 C8y C 39.8300 -24.2200
15 O1a O 38.5700 -22.1200
16 C8y C 32.4800 -28.3500
17 C8y C 31.2900 -26.2500
18 O1a O 41.0200 -23.5200
19 C8x C 31.2900 -27.6500
20 O1a O 32.4800 -29.7500
21 O1a O 30.1000 -25.5500
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 7 13 2
13 10 14 1
14 10 15 1
15 12 16 2
16 13 17 1
17 14 18 1
18 16 19 1
19 16 20 1
20 17 21 1
21 8 12 1
22 11 14 2
23 17 19 2
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