ATOM 27
1 C1y C 14.7000 -18.6900
2 C1y C 16.1000 -18.6900
3 C1z C 15.4000 -17.5000
4 C8y C 20.9300 -18.6900
5 C8y C 22.1200 -17.9900
6 C8y C 23.3800 -18.6900
7 C8y C 23.3800 -20.0900
8 C8y C 22.1200 -20.7900
9 C8y C 20.9300 -20.0900
10 C7a C 17.2900 -17.9900
11 O7a O 18.4800 -18.6900
12 C1b C 19.7400 -17.9900
13 X F 22.1200 -22.1900
14 X F 19.7400 -20.7900
15 X F 22.1200 -16.5900
16 X F 24.5700 -17.9900
17 O6a O 17.2900 -16.5900
18 C1b C 24.5700 -20.7900
19 O2a O 25.8300 -20.0900
20 C1a C 27.0200 -20.8600
21 C2b C 13.5100 -17.9900
22 C2c C 12.3200 -18.6900
23 C1a C 11.1300 -17.9900
24 C3b C 12.3200 -20.1600
25 N3a N 12.3200 -21.5600
26 C1a C 16.1000 -16.2876
27 C1a C 14.7000 -16.2876
BOND 28
1 1 2 1
2 3 1 1
3 2 3 1
4 8 9 2
5 9 4 1
6 4 5 2
7 5 6 1
8 2 10 1
9 10 11 1
10 11 12 1
11 12 4 1
12 8 13 1
13 6 7 2
14 9 14 1
15 5 15 1
16 7 8 1
17 6 16 1
18 10 17 2
19 7 18 1
20 18 19 1
21 19 20 1
22 22 23 1
23 22 24 1
24 21 22 2
25 24 25 3
26 21 1 1
27 3 26 1
28 3 27 1
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