ATOM 20
1 C8x C 11.2000 -20.1600
2 C8y C 11.2000 -21.5600
3 C8x C 12.4124 -22.2600
4 C8x C 13.6249 -21.5600
5 C8y C 13.6249 -20.1600
6 C8x C 12.4124 -19.4600
7 O2a O 14.8624 -19.4600
8 C8y C 16.0749 -20.1600
9 C8x C 16.0749 -21.5598
10 C8x C 17.2873 -22.2598
11 C8x C 18.4997 -21.5598
12 C8y C 18.4997 -20.1600
13 C8x C 17.2873 -19.4600
14 X Cl 9.9876 -22.2600
15 N1b N 19.6973 -19.4685
16 C5a C 20.8856 -20.1545
17 N1c N 22.0764 -19.4669
18 C1a C 23.2660 -20.1537
19 O5a O 20.8857 -21.5598
20 C1a C 22.0764 -18.0602
BOND 21
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 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 2 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 16 19 2
21 17 20 1
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