ATOM 30
1 C8x C 28.2100 -13.2300
2 C8x C 28.2100 -11.8300
3 C8x C 27.0200 -11.1300
4 C8x C 25.7600 -11.8300
5 C8y C 25.7600 -13.2300
6 C8y C 27.0200 -13.9300
7 C6a C 27.0200 -15.3300
8 O6a O 28.2100 -16.0300
9 O6a O 25.8300 -16.0300
10 S4a S 24.5700 -13.9300
11 N1b N 23.3100 -13.2300
12 C5a C 22.1200 -13.9300
13 O3c O 23.8000 -15.1200
14 O3c O 25.3400 -15.1900
15 O5a O 22.1200 -15.3300
16 N1b N 20.9300 -13.2300
17 C8y C 19.7400 -13.9300
18 N5x N 18.5500 -13.2300
19 C8y C 17.2900 -13.9300
20 C8x C 17.2900 -15.3300
21 C8y C 18.4800 -16.0300
22 N5x N 19.7400 -15.3300
23 O2a O 18.4800 -17.4300
24 C1c C 17.2900 -18.1300
25 X F 16.1000 -17.4300
26 X F 17.2900 -19.5300
27 O2a O 16.1000 -13.2300
28 C1c C 14.9100 -13.9300
29 X F 13.7200 -13.2300
30 X F 14.9100 -15.3300
BOND 31
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 7 8 1
9 7 9 2
10 5 10 1
11 10 11 1
12 11 12 1
13 10 13 2
14 10 14 2
15 12 15 2
16 12 16 1
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 21 23 1
25 23 24 1
26 24 25 1
27 24 26 1
28 19 27 1
29 27 28 1
30 28 29 1
31 28 30 1
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