ATOM 23
1 C8x C 30.5200 -17.0800
2 C8y C 30.5200 -18.4800
3 C8x C 31.7324 -19.1800
4 C8x C 32.9449 -18.4800
5 C8y C 32.9449 -17.0800
6 C8x C 31.7324 -16.3800
7 C1a C 34.1760 -16.3690
8 S4a S 29.3076 -19.1800
9 N1b N 28.0951 -18.4800
10 C1c C 26.8827 -19.1800
11 C5a C 25.6703 -18.4800
12 C1b C 24.4578 -19.1800
13 X Cl 23.2454 -18.4800
14 O3c O 30.0076 -20.3924
15 O3c O 28.6076 -20.3924
16 C1b C 26.8827 -20.5800
17 C8y C 25.6682 -21.2812
18 C8x C 24.4717 -20.5902
19 C8x C 23.2592 -21.2901
20 C8x C 23.2591 -22.6901
21 C8x C 24.4556 -23.3810
22 C8x C 25.6681 -22.6812
23 O5a O 25.6703 -17.0801
BOND 24
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 5 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 14 2
15 8 15 2
16 10 16 1 #Up
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 11 23 2
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