ATOM 20
1 C8x C 32.3234 -24.2765
2 C8y C 32.3234 -25.6782
3 C8x C 31.1056 -26.3827
4 C8x C 29.8948 -25.6782
5 C8y C 29.8948 -24.2765
6 C8x C 31.1056 -23.5791
7 O2a O 28.6885 -23.5791
8 C1c C 27.4770 -24.2694
9 C5a C 26.2653 -23.5720
10 C1d C 25.0607 -24.2623
11 C1a C 23.8490 -23.5649
12 N4y N 27.4756 -25.6794
13 C8x C 28.6092 -26.5089
14 N5x N 28.1754 -27.8416
15 C8x C 26.7735 -27.8382
16 N5x N 26.3383 -26.5038
17 X Cl 33.5422 -26.3756
18 O5a O 26.2724 -22.1701
19 C1a C 23.8561 -24.9528
20 C1a C 25.0537 -25.7971
BOND 21
1 9 10 1
2 4 5 1
3 10 11 1
4 5 6 2
5 6 1 1
6 5 7 1
7 1 2 2
8 12 13 1
9 13 14 2
10 14 15 1
11 15 16 2
12 16 12 1
13 8 12 1
14 7 8 1
15 2 17 1
16 2 3 1
17 9 18 2
18 8 9 1
19 10 19 1
20 3 4 2
21 10 20 1
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