ATOM 20
1 C1y C 14.2100 -21.2800
2 S2x S 14.2100 -19.8800
3 C2y C 15.4000 -19.1800
4 N1y N 16.6600 -19.8800
5 C1y C 16.6600 -21.2800
6 N1x N 15.4000 -21.9800
7 C1a C 17.8500 -21.9800
8 C1a C 13.0200 -21.9800
9 C1b C 17.8500 -19.1800
10 C1b C 19.1100 -19.8800
11 N1y N 20.3000 -19.1800
12 C1y C 20.3000 -17.7800
13 N1x N 21.4900 -17.0800
14 C1y C 22.7500 -17.7800
15 S2x S 22.7500 -19.1800
16 C2y C 21.4900 -19.8800
17 S0 S 15.4000 -17.7800
18 S0 S 21.4900 -21.2800
19 C1a C 19.1100 -17.0800
20 C1a C 23.9400 -17.0800
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 1 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 3 17 2
19 16 18 2
20 12 19 1
21 14 20 1
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