ATOM 25
1 C8x C 24.1445 -16.2906
2 C8y C 24.1445 -17.6828
3 N5x N 25.3502 -18.3790
4 C8y C 26.5560 -17.6828
5 N5x N 26.5560 -16.2906
6 C8y C 25.3502 -15.5944
7 X Cl 25.3502 -14.2024
8 O2a O 22.9388 -18.3790
9 C1a C 21.7499 -17.6924
10 N1b N 27.7867 -18.3790
11 C5a C 28.9924 -17.6828
12 N1b N 30.1981 -18.3790
13 S4a S 31.4059 -17.6816
14 C8y C 32.5958 -18.3688
15 C8y C 32.5958 -19.7709
16 C8x C 33.8016 -20.4670
17 C8x C 35.0073 -19.7708
18 C8x C 35.0072 -18.3687
19 C8x C 33.8015 -17.6727
20 C6a C 31.3690 -20.4796
21 O6a O 30.1694 -19.7872
22 O6a O 31.3694 -21.8595
23 O5a O 28.9924 -16.2908
24 O3c O 32.1717 -16.4063
25 O3c O 30.6402 -16.4063
BOND 26
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 6 7 1
8 2 8 1
9 8 9 1
10 4 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 15 20 1
22 20 21 1
23 20 22 2
24 11 23 2
25 13 24 2
26 13 25 2
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