ATOM 21
1 C1y C 25.4100 -19.8100
2 C1y C 26.8100 -19.3900
3 N1y N 25.4100 -21.1400
4 C2y C 24.1500 -19.3200
5 C1x C 27.5800 -20.5800
6 C1x C 26.7400 -21.6300
7 C1x C 24.0800 -21.5600
8 C2x C 23.3100 -20.3700
9 C1b C 24.1500 -17.9200
10 O1a O 22.9600 -17.2200
11 O7a O 26.8100 -17.9900
12 C7a C 28.0000 -17.2900
13 O6a O 29.2600 -17.9900
14 C1d C 28.0000 -15.8900
15 C1c C 29.2600 -15.1900
16 C1c C 26.8100 -15.1900
17 O1a O 26.7400 -16.7300
18 C1a C 25.6200 -15.8900
19 C1a C 26.8100 -13.7900
20 C1a C 29.2600 -13.7900
21 O1a O 30.4500 -15.8900
BOND 22
1 7 8 1
2 2 11 1 #Down
3 1 2 1
4 11 12 1
5 1 3 1
6 12 13 2
7 1 4 1
8 12 14 1
9 2 5 1
10 14 15 1
11 3 6 1
12 14 16 1 #Up
13 3 7 1
14 14 17 1 #Down
15 4 8 2
16 16 18 1
17 4 9 1
18 16 19 1
19 9 10 1
20 15 20 1
21 5 6 1
22 15 21 1 #Up
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