ATOM 21
1 N1y N 27.4463 -18.3554
2 C5x C 27.8110 -19.7696
3 N1y N 29.2709 -19.7726
4 C1x C 29.6968 -18.4733
5 C5x C 28.6143 -17.6019
6 C8x C 23.7916 -16.3068
7 C8y C 23.8103 -17.7071
8 C8x C 25.0360 -18.3873
9 C8y C 26.2360 -17.6747
10 C8x C 26.2172 -16.2746
11 C8y C 24.9988 -15.5871
12 X Cl 24.9897 -14.1735
13 X Cl 22.5902 -18.3990
14 O5x O 26.9270 -20.7890
15 O5x O 28.6176 -16.2035
16 C5a C 30.4782 -20.4691
17 N1b N 31.6884 -19.7656
18 C1c C 32.8916 -20.4691
19 C1a C 34.1019 -19.7656
20 C1a C 32.8916 -21.8694
21 O5a O 30.4805 -21.8694
BOND 22
1 11 12 1
2 7 13 1
3 6 7 2
4 7 8 1
5 8 9 2
6 9 10 1
7 9 1 1
8 2 3 1
9 2 14 2
10 3 4 1
11 5 15 2
12 4 5 1
13 3 16 1
14 5 1 1
15 16 17 1
16 17 18 1
17 1 2 1
18 18 19 1
19 10 11 2
20 18 20 1
21 11 6 1
22 16 21 2
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