ATOM 21
1 C8x C 24.7100 -17.2900
2 C8y C 24.7100 -18.6900
3 C8x C 25.9700 -19.3900
4 C8x C 27.1600 -18.6900
5 C8y C 27.1600 -17.2900
6 C8y C 25.9700 -16.5900
7 C1b C 28.3500 -16.5900
8 C1c C 29.6100 -17.2900
9 C1c C 30.8000 -16.5900
10 C1d C 31.9900 -17.2900
11 C1a C 33.1800 -16.5900
12 N4y N 29.6100 -18.6900
13 C8x C 28.4200 -19.5300
14 N5x N 28.9100 -20.8600
15 C8x C 30.3100 -20.8600
16 N5x N 30.7300 -19.5300
17 X Cl 23.5200 -19.3900
18 O1a O 30.8000 -15.1900
19 C1a C 33.1800 -17.9900
20 C1a C 31.9900 -18.6900
21 X Cl 25.9700 -15.1900
BOND 22
1 9 10 1
2 4 5 1
3 10 11 1
4 5 6 2
5 6 1 1
6 5 7 1
7 1 2 2
8 12 13 1
9 13 14 2
10 14 15 1
11 15 16 2
12 16 12 1
13 8 12 1
14 7 8 1
15 2 17 1
16 2 3 1
17 9 18 1
18 8 9 1
19 10 19 1
20 3 4 2
21 10 20 1
22 6 21 1
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