ATOM 21
1 C8y C 31.6736 -19.8776
2 C8x C 31.6227 -21.2742
3 C8x C 32.8415 -21.9964
4 C8x C 34.0648 -21.3225
5 C8x C 34.0925 -19.9257
6 C8x C 32.8969 -19.2035
7 C8y C 25.5994 -19.1948
8 C5a C 26.8204 -19.8899
9 C8y C 25.5994 -17.7872
10 N5x N 24.3902 -19.8899
11 N1b N 28.0293 -19.1890
12 O5a O 26.8204 -21.2915
13 N5x N 24.3902 -17.0803
14 N1a N 26.8204 -17.0803
15 C8y C 23.1696 -19.1948
16 C2c C 29.2499 -19.8899
17 C8y C 23.1696 -17.7872
18 X Cl 21.9488 -19.8899
19 N1b N 30.4651 -19.1890
20 N2a N 29.2499 -21.2915
21 N1a N 21.9488 -17.0803
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 6 1 1
7 7 8 1
8 7 9 1
9 7 10 2
10 8 11 1
11 8 12 2
12 9 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 15 18 1
18 16 19 1
19 16 20 2
20 17 21 1
21 15 17 2
22 19 1 1
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