ATOM 20
1 C1y C 35.0000 -24.5000
2 O2x O 33.7400 -23.8000
3 C1y C 35.0000 -25.9000
4 O2a O 36.1900 -23.8000
5 C1y C 32.5500 -24.5000
6 C1y C 33.7400 -26.6000
7 O1a O 36.1900 -26.6000
8 C8y C 37.3800 -24.5000
9 C1y C 32.5500 -25.9000
10 C1b C 31.3600 -23.8000
11 O1a O 33.7400 -28.0700
12 C8x C 37.3800 -25.9000
13 C8x C 38.6400 -23.8000
14 O1a O 31.3600 -26.6700
15 O1a O 30.1000 -24.5000
16 C8x C 38.6400 -26.6000
17 C8x C 39.8300 -24.5000
18 C8y C 39.8300 -25.9000
19 O2a O 41.0200 -26.6000
20 C1a C 42.2381 -25.9099
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 2
17 16 18 2
18 18 19 1
19 6 9 1
20 17 18 1
21 19 20 1
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