ATOM 20
1 C1y C 40.7400 -28.0000
2 C1y C 42.0000 -27.3000
3 C8y C 39.5500 -27.3000
4 O2x O 41.0200 -29.4000
5 C8y C 43.0500 -28.2800
6 C1x C 42.0000 -25.9000
7 C8y C 39.5500 -25.9000
8 C8x C 38.2900 -28.0000
9 C8y C 42.4200 -29.5400
10 C8x C 44.4500 -28.1400
11 O2x O 40.7400 -25.2000
12 C8x C 38.2900 -25.2000
13 C8x C 37.1000 -27.3000
14 C8x C 43.2600 -30.6600
15 C8x C 45.2900 -29.2600
16 C8y C 37.1000 -25.9000
17 C8y C 44.6600 -30.5200
18 O1a O 35.9100 -25.2000
19 O2a O 45.4300 -31.4300
20 C1a C 46.9000 -31.4300
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 2
12 8 13 1
13 9 14 1
14 10 15 2
15 12 16 1
16 14 17 2
17 16 18 1
18 17 19 1
19 19 20 1
20 5 9 2
21 7 11 1
22 13 16 2
23 15 17 1
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