ATOM 28
1 C8y C 26.5300 -18.4100
2 N5x N 26.5300 -19.8100
3 C8y C 25.3400 -20.5100
4 C8x C 24.1500 -19.8100
5 C8y C 24.1500 -18.4100
6 N5x N 25.3400 -17.7100
7 C8x C 35.0000 -16.3100
8 C8x C 35.0000 -17.7100
9 N5x N 33.8100 -18.4100
10 C8x C 33.8100 -15.6100
11 C8y C 32.6200 -16.3100
12 C8y C 32.6200 -17.7100
13 S4a S 31.3600 -18.4100
14 N1b N 30.1700 -17.7100
15 O5a O 30.2400 -16.2400
16 C5a C 31.3600 -15.6100
17 N1c N 31.3600 -14.2100
18 C1a C 32.5500 -13.5100
19 C1a C 30.1700 -13.5100
20 O3c O 32.4100 -19.5300
21 O3c O 30.4500 -19.6700
22 C5a C 28.9800 -18.4100
23 N1b N 27.7900 -17.7100
24 O2a O 22.9600 -17.7100
25 C1a C 21.7000 -18.4100
26 O2a O 25.3400 -21.9100
27 C1a C 24.1500 -22.5400
28 O5a O 28.9800 -19.8100
BOND 29
1 11 12 1
2 12 13 1
3 13 14 1
4 15 16 2
5 16 11 1
6 3 4 2
7 16 17 1
8 7 8 2
9 17 18 1
10 8 9 1
11 17 19 1
12 9 12 2
13 13 20 2
14 11 10 2
15 13 21 2
16 10 7 1
17 14 22 1
18 4 5 1
19 22 23 1
20 23 1 1
21 5 6 2
22 5 24 1
23 6 1 1
24 24 25 1
25 3 26 1
26 1 2 2
27 26 27 1
28 2 3 1
29 22 28 2
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