ATOM 23
1 C1x C 15.6800 -18.6900
2 C1y C 15.6800 -20.0900
3 C1x C 16.8924 -20.7900
4 C2y C 18.1049 -20.0900
5 C2y C 18.1049 -18.6900
6 C5x C 16.8924 -17.9900
7 O5x O 16.8924 -16.5902
8 O1a O 19.3360 -20.8010
9 C2c C 19.3424 -17.9900
10 C1b C 20.5549 -18.6900
11 C1a C 21.7860 -17.9790
12 N2b N 19.3486 -16.5903
13 O2a O 20.5425 -15.9077
14 C1b C 21.7200 -16.5942
15 C2b C 22.9220 -15.9069
16 C2b C 24.1003 -16.5937
17 X Cl 25.3018 -15.9065
18 C1b C 14.4676 -20.7900
19 C1c C 13.2551 -20.0900
20 S2a S 12.0427 -20.7900
21 C1b C 10.8303 -20.0900
22 C1a C 13.2551 -18.6902
23 C1a C 9.6327 -20.7815
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 6 7 2
8 4 8 1
9 5 9 1
10 9 10 1
11 10 11 1
12 9 12 2
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 2 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 19 22 1
23 21 23 1
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