ATOM 20
1 C1x C 17.4300 -22.5400
2 C1x C 17.0100 -21.2100
3 C1y C 18.1300 -20.3700
4 N1y N 19.2500 -21.2100
5 C1x C 18.8300 -22.5400
6 C6a C 18.1300 -18.9700
7 O6a O 19.3200 -18.2700
8 O6a O 16.9400 -18.2700
9 C5a C 20.4400 -20.5100
10 C1b C 21.7000 -21.2100
11 N1b N 22.8900 -20.5100
12 C5a C 24.0800 -21.2100
13 C1c C 25.3400 -20.5100
14 C1b C 26.5300 -21.2100
15 C1c C 27.7200 -20.5100
16 O5a O 20.4400 -19.1100
17 O5a O 24.0800 -22.6100
18 N1a N 25.3400 -19.1100
19 C1a C 28.9100 -21.2100
20 C1a C 27.7200 -19.1100
BOND 20
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1 #Up
7 6 7 2
8 6 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 9 16 2
17 12 17 2
18 13 18 1 #Up
19 15 19 1
20 15 20 1
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