ATOM 22
1 C1x C 22.2039 -18.8277
2 C1x C 22.2039 -20.2276
3 C1x C 23.4192 -20.9276
4 C1x C 23.4192 -18.1277
5 N4y N 24.6274 -18.8277
6 C8y C 24.6217 -20.2310
7 N5x N 25.9546 -20.6703
8 N4y N 26.7838 -19.5383
9 C8y C 25.9639 -18.3996
10 C8y C 28.1838 -19.5441
11 C8x C 28.8724 -20.7601
12 C8y C 30.2723 -20.7659
13 C8y C 30.9772 -19.5563
14 C8x C 30.2823 -18.3412
15 C8y C 28.8824 -18.3352
16 O5x O 26.4020 -17.0700
17 X Cl 28.1851 -17.1213
18 X Cl 32.3771 -19.5623
19 O2a O 30.9672 -21.9812
20 C1b C 32.3671 -21.9869
21 C3b C 33.0522 -23.1853
22 C3a C 34.4522 -23.1853
BOND 24
1 1 2 1
2 2 3 1
3 3 6 1
4 5 4 1
5 10 11 2
6 11 12 1
7 12 13 2
8 13 14 1
9 14 15 2
10 15 10 1
11 5 6 1
12 9 16 2
13 6 7 2
14 15 17 1
15 7 8 1
16 13 18 1
17 8 9 1
18 12 19 1
19 9 5 1
20 19 20 1
21 4 1 1
22 8 10 1
23 20 21 1
24 21 22 3
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