ATOM 20
1 C2y C 32.5500 -17.0100
2 C8y C 31.7100 -15.8900
3 C8y C 32.0600 -14.5600
4 N1x N 33.3200 -14.0000
5 N2x N 33.9500 -17.0100
6 C5x C 34.5800 -14.6300
7 C1y C 34.8600 -15.9600
8 C8x C 31.0100 -13.5800
9 C8x C 29.6800 -14.0000
10 C8y C 29.3300 -15.3300
11 C8x C 30.3800 -16.3100
12 O1a O 36.1900 -16.3800
13 O5x O 35.6300 -13.6500
14 X Cl 28.0000 -15.7500
15 C8y C 31.9200 -18.2700
16 C8x C 30.5200 -18.2700
17 C8x C 29.8200 -19.4600
18 C8x C 30.5200 -20.7200
19 C8x C 31.9200 -20.7200
20 C8x C 32.6200 -19.4600
BOND 22
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 1
14 6 13 2
15 10 14 1
16 1 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 15 20 2
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