ATOM 20
1 N5x N 20.6500 -13.9300
2 C8y C 20.6500 -15.3300
3 C8x C 19.3200 -15.7500
4 N4x N 18.4800 -14.6300
5 C8x C 19.3200 -13.5100
6 C1b C 21.8400 -16.0300
7 C1b C 23.1000 -15.3300
8 C1b C 24.2900 -16.0300
9 S2a S 25.5500 -15.4000
10 C2c C 26.7400 -16.1000
11 N1b N 28.0000 -15.4000
12 C1b C 29.1900 -16.1000
13 C8y C 30.3800 -15.4000
14 N2a N 26.7400 -17.5000
15 C8x C 30.3800 -14.0000
16 C8x C 31.6400 -13.3000
17 C8y C 32.8300 -14.0000
18 C8x C 32.8300 -15.4000
19 C8x C 31.6400 -16.1000
20 X Cl 34.0200 -13.3000
BOND 21
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 2 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 10 14 2
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 13 19 1
21 17 20 1
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