ATOM 20
1 C1x C 4.2000 -6.3000
2 C2y C 4.2000 -7.7000
3 C2x C 5.4124 -8.4000
4 C1x C 6.6249 -7.7000
5 N1y N 6.6249 -6.3000
6 C1x C 5.4124 -5.6000
7 C1b C 7.8560 -5.5890
8 C1a C 2.9876 -8.4000
9 C1b C 9.0612 -6.2847
10 N1b N 10.2435 -5.6019
11 C2c C 11.4375 -6.2912
12 N1a N 12.6254 -5.6052
13 N2a N 11.4377 -7.6997
14 S4a S 17.8923 -6.9354
15 O1d O 19.3003 -6.9354
16 O1d O 16.4842 -6.9055
17 O1d O 17.8855 -8.3434
18 O1d O 17.8959 -5.5273
19 O0 O 23.8700 -6.8600
20 O0 O 23.8700 -6.8600
BOND 17
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 2 8 1
9 7 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 11 13 2
14 14 15 1
15 14 16 1
16 14 17 2
17 14 18 2
BRACKET 1 21.9100 -7.9100 21.9100 -5.8800
1 24.6400 -5.8800 24.6400 -7.9100
1 2
ORIGINAL 1 19
REPEAT 1 20
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