ATOM 17
1 C2y C 21.2100 -23.1700
2 N1y N 21.2100 -24.5700
3 C5x C 22.5400 -24.9900
4 C1y C 23.3800 -23.8700
5 S2x S 22.5400 -22.7500
6 N1y N 24.7800 -23.8700
7 C1x C 25.4800 -25.0600
8 C1x C 26.8800 -25.0600
9 C1x C 27.5800 -23.8700
10 C1x C 26.8800 -22.6800
11 C1x C 25.4800 -22.6800
12 O5x O 22.9600 -26.3200
13 C1a C 20.0900 -25.4100
14 C2b C 20.0200 -22.4700
15 C6a C 20.0200 -21.0700
16 O6a O 21.2100 -20.3700
17 O6a O 18.8300 -20.3700
BOND 18
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 6 11 1
13 3 12 2
14 2 13 1
15 14 1 2
16 14 15 1
17 15 16 2
18 15 17 1
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