ATOM 21
1 C8x C 21.9100 -19.3200
2 C8y C 21.9100 -17.9200
3 C8x C 20.7200 -17.2200
4 C8x C 19.4600 -17.9200
5 C8y C 19.4600 -19.3200
6 C8x C 20.7200 -20.0200
7 X Cl 18.2700 -20.0200
8 C1b C 23.1000 -17.2200
9 C1b C 24.3600 -17.9200
10 C1d C 25.5500 -17.2200
11 C1b C 26.7400 -17.9200
12 N4y N 28.0000 -17.2200
13 N5x N 29.2600 -17.7800
14 C8x C 30.2400 -16.7300
15 N5x N 29.5400 -15.5400
16 C8x C 28.1400 -15.8200
17 O1a O 26.3900 -16.0300
18 C1d C 24.5700 -16.2400
19 C1a C 23.2400 -16.5900
20 C1a C 24.9200 -14.9100
21 C1a C 23.5900 -15.2600
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 12 16 1
18 10 17 1
19 10 18 1
20 18 19 1
21 18 20 1
22 18 21 1
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