ATOM 26
1 C8y C 26.6000 -17.7100
2 N5x N 26.6000 -19.1100
3 C8y C 25.3400 -19.8100
4 N5x N 24.1500 -19.1100
5 C8y C 24.1500 -17.7100
6 N5x N 25.3400 -17.0100
7 C8x C 35.0000 -15.6100
8 C8x C 35.0000 -17.0100
9 C8x C 33.8100 -17.6400
10 C8x C 33.8100 -14.8400
11 C8y C 32.6200 -15.6100
12 C8y C 32.6200 -17.0100
13 S4a S 31.4300 -17.7100
14 N1b N 30.1700 -17.0100
15 O2a O 31.3600 -14.9100
16 O3c O 32.4100 -18.6900
17 O3c O 30.4500 -18.7600
18 C5a C 28.9800 -17.7100
19 N1b N 27.7900 -17.0100
20 O2a O 22.9600 -17.0100
21 O5a O 28.9800 -19.1100
22 C1b C 30.1700 -15.6100
23 C1b C 28.9800 -14.8400
24 X Cl 27.7900 -15.6100
25 C1a C 25.3400 -21.2100
26 C1a C 21.7000 -17.7100
BOND 27
1 11 12 1
2 12 13 1
3 13 14 1
4 15 11 1
5 2 3 1
6 13 16 2
7 3 4 2
8 13 17 2
9 7 8 2
10 14 18 1
11 8 9 1
12 18 19 1
13 19 1 1
14 9 12 2
15 5 20 1
16 11 10 2
17 10 7 1
18 4 5 1
19 18 21 2
20 5 6 2
21 15 22 1
22 6 1 1
23 22 23 1
24 23 24 1
25 3 25 1
26 1 2 2
27 20 26 1
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