ATOM 25
1 C8y C 32.6900 -17.6400
2 C8y C 32.6900 -16.2400
3 S2x S 34.0200 -15.8200
4 C8x C 34.8600 -16.9400
5 C8x C 34.0200 -18.0600
6 C8y C 26.6700 -18.3400
7 N5x N 26.6700 -19.7400
8 C8y C 25.4800 -20.4400
9 N5x N 24.2900 -19.7400
10 C8y C 24.2900 -18.3400
11 N5x N 25.4800 -17.6400
12 S4a S 31.5000 -18.3400
13 N1b N 30.3100 -17.6400
14 O3c O 32.4800 -19.5300
15 O3c O 30.5200 -19.5300
16 C5a C 29.1200 -18.3400
17 N1b N 27.9300 -17.6400
18 O2a O 23.1000 -17.6400
19 C1a C 21.9100 -18.3400
20 O5a O 29.1200 -19.7400
21 C1a C 25.4800 -21.8400
22 C7a C 31.5000 -15.5400
23 O7a O 30.3100 -16.2400
24 C1a C 29.1200 -15.5400
25 O6a O 31.5000 -14.1400
BOND 26
1 1 12 1
2 12 13 1
3 2 3 1
4 12 14 2
5 3 4 1
6 12 15 2
7 4 5 2
8 13 16 1
9 5 1 1
10 16 17 1
11 17 6 1
12 6 7 2
13 10 18 1
14 7 8 1
15 18 19 1
16 8 9 2
17 16 20 2
18 9 10 1
19 8 21 1
20 10 11 2
21 2 22 1
22 11 6 1
23 22 23 1
24 23 24 1
25 1 2 2
26 22 25 2
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