ATOM 22
1 O1a O 17.3600 -20.1600
2 C1y C 18.5500 -19.4600
3 C1y C 19.8100 -20.2300
4 C1x C 21.0000 -19.5300
5 C1y C 21.0000 -18.1300
6 C1y C 19.8100 -17.4300
7 C1y C 18.5500 -18.1300
8 N1a N 19.8100 -21.6300
9 O1a O 17.3600 -17.4300
10 N1a N 22.2600 -17.4300
11 O2a O 19.8100 -16.0300
12 C1y C 21.0000 -15.3300
13 O2x O 22.1900 -16.0300
14 C1y C 23.3800 -15.3300
15 C1y C 23.3800 -13.9300
16 C1y C 22.1900 -13.2300
17 C1y C 21.0000 -13.9300
18 C4a C 24.6400 -16.0300
19 O1a O 19.7400 -13.2300
20 O1a O 22.1900 -11.8300
21 O1a O 24.5700 -13.2300
22 O4a O 24.6400 -17.4300
BOND 23
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 16 20 1 #Up
22 15 21 1 #Down
23 18 22 2
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