ATOM 18
1 C8x C 23.3100 -17.1500
2 C8y C 23.3100 -18.5500
3 C8x C 24.5224 -19.2500
4 C8x C 25.7349 -18.5500
5 C8y C 25.7349 -17.1500
6 C8y C 24.5224 -16.4500
7 X Cl 24.5224 -15.0502
8 X Br 22.0976 -19.2500
9 O2b O 26.9660 -16.4390
10 P1b P 28.1712 -17.1347
11 S2a S 29.3836 -17.8347
12 O3b O 28.8563 -15.6671
13 O2b O 27.4572 -18.3722
14 C1b C 30.6015 -17.1314
15 C1b C 31.8133 -17.8309
16 C1a C 32.9924 -17.1500
17 C1b C 28.1991 -19.5164
18 C1a C 29.6073 -19.5135
BOND 18
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 5 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 10 13 1
14 11 14 1
15 14 15 1
16 15 16 1
17 13 17 1
18 17 18 1
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