ATOM 20
1 C8x C 25.7050 -17.4909
2 C8x C 25.6892 -16.0910
3 C8y C 24.4690 -15.4047
4 C8y C 23.2645 -16.1183
5 C8y C 23.2103 -17.5183
6 C8x C 24.5006 -18.2045
7 C1b C 22.0443 -15.4321
8 C5a C 20.8398 -16.1457
9 N1b N 19.6195 -15.4594
10 C2c C 18.4151 -16.1730
11 N1b N 17.1949 -15.4867
12 C7a C 15.9904 -16.2003
13 O7a O 14.7701 -15.5141
14 C1b C 13.5656 -16.2277
15 C1a C 12.3454 -15.5414
16 O5a O 20.8556 -17.5456
17 N2a N 18.4309 -17.5729
18 O6a O 15.9361 -17.6003
19 X Cl 22.0758 -18.2319
20 X Cl 24.4532 -14.0048
BOND 20
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 4 7 1
8 7 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 1
15 14 15 1
16 8 16 2
17 10 17 2
18 12 18 2
19 5 19 1
20 3 20 1
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