ATOM 22
1 C8y C 18.4755 -16.3001
2 C8x C 18.4755 -17.7015
3 C8x C 17.2589 -18.4022
4 C8y C 16.0494 -17.7015
5 C8x C 16.0494 -16.3001
6 C8y C 17.2589 -15.5994
7 C5a C 19.6858 -15.5994
8 N1b N 20.8961 -16.2929
9 C1b C 22.1065 -15.5922
10 C1b C 23.3168 -16.2860
11 N1c N 24.5271 -15.5853
12 C1b C 25.7374 -16.2788
13 O5a O 19.6828 -14.1979
14 C1b C 24.5240 -14.1838
15 C1a C 25.7362 -13.4804
16 C1a C 26.9489 -15.5742
17 O2a O 17.2572 -14.1979
18 C1b C 18.4701 -13.4957
19 C2b C 18.4682 -12.0943
20 C2a C 19.6811 -11.3920
21 X Cl 14.8354 -18.4014
22 X Cl 25.9786 -18.3348
BOND 21
1 3 4 2
2 10 11 1
3 4 5 1
4 11 12 1
5 5 6 2
6 7 13 2
7 6 1 1
8 11 14 1
9 14 15 1
10 1 7 1
11 12 16 1
12 6 17 1
13 7 8 1
14 17 18 1
15 1 2 2
16 18 19 1
17 8 9 1
18 19 20 2
19 2 3 1
20 4 21 1
21 9 10 1
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