ATOM 28
1 C8y C 26.5300 -17.8500
2 N5x N 26.5300 -19.2500
3 C8y C 25.2700 -19.9500
4 C8x C 24.0800 -19.2500
5 C8y C 24.0800 -17.8500
6 N5x N 25.2700 -17.1500
7 C8x C 35.0000 -15.6800
8 C8x C 35.0000 -17.0800
9 N5x N 33.7400 -17.8500
10 C8x C 33.7400 -14.9800
11 C8y C 32.5500 -15.6800
12 C8y C 32.5500 -17.0800
13 S4a S 31.3600 -17.8500
14 N1b N 30.1000 -17.1500
15 S4a S 31.3600 -15.0500
16 O3c O 32.3400 -18.8300
17 O3c O 30.3800 -18.8300
18 C5a C 28.9100 -17.8500
19 N1b N 27.7200 -17.1500
20 O2a O 22.8900 -17.1500
21 C1a C 21.7000 -17.8500
22 O2a O 25.2700 -21.3500
23 C1a C 24.0800 -22.0500
24 O5a O 28.9100 -19.2500
25 O3c O 32.5500 -14.2800
26 C1b C 30.1000 -15.6800
27 C1a C 28.9100 -14.9800
28 O3c O 30.3800 -14.0000
BOND 29
1 12 13 1
2 13 14 1
3 15 11 1
4 2 3 1
5 13 16 2
6 3 4 2
7 13 17 2
8 7 8 2
9 14 18 1
10 8 9 1
11 18 19 1
12 19 1 1
13 9 12 2
14 5 20 1
15 11 10 2
16 20 21 1
17 10 7 1
18 3 22 1
19 4 5 1
20 22 23 1
21 5 6 2
22 18 24 2
23 6 1 1
24 15 25 2
25 15 26 1
26 1 2 2
27 26 27 1
28 11 12 1
29 15 28 2
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