ATOM 25
1 C1y C 20.0200 -21.9800
2 N1x N 17.7800 -19.3200
3 C1y C 18.2000 -20.6500
4 C1y C 19.6000 -20.6500
5 N1x N 20.0200 -19.3200
6 C5x C 18.9000 -18.4800
7 C1x C 17.7100 -21.9800
8 S2x S 18.8300 -22.8200
9 O5x O 18.9000 -17.0800
10 C1b C 21.2100 -22.6100
11 C1b C 22.4000 -21.9800
12 C1b C 23.5200 -22.6800
13 C1b C 24.7100 -21.9800
14 C5a C 25.9000 -22.6800
15 N1b N 27.0900 -21.9800
16 O5a O 25.9000 -24.0100
17 C1b C 28.2800 -22.6100
18 C1b C 29.4700 -21.9800
19 C1b C 30.5900 -22.6100
20 C1b C 31.7800 -21.9800
21 C1c C 32.9700 -22.6100
22 C6a C 34.1600 -21.9800
23 N1a N 32.9700 -24.0100
24 O6a O 35.3500 -22.6100
25 O6a O 34.1600 -20.5800
BOND 26
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 3 7 1
7 7 8 1
8 8 1 1
9 4 1 1
10 6 9 2
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 14 16 2
17 15 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 21 23 1 #Up
24 22 24 1
25 22 25 2
26 1 10 1 #Down
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