ATOM 20
1 C8x C 25.0600 -18.3400
2 C8y C 26.3200 -17.7100
3 C8x C 23.8000 -17.7100
4 C8y C 26.3200 -16.3100
5 N2b N 27.5100 -18.3400 #+
6 C8y C 23.8000 -16.3100
7 C8x C 25.0600 -15.6100
8 O3a O 27.5100 -19.7400
9 O3a O 28.9800 -17.6400 #-
10 N1b N 22.6100 -15.6100
11 C5a C 21.4200 -16.3100
12 C1d C 20.2300 -15.6100
13 O5a O 21.4200 -17.6400
14 C1a C 18.9700 -16.3100
15 C1a C 20.2300 -14.2100
16 C1d C 27.5100 -15.6100
17 X F 28.7000 -14.9100
18 X F 26.8100 -14.4200
19 X F 28.2100 -16.8700
20 O1a O 20.2128 -17.0099
BOND 20
1 1 2 2
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 2
6 4 7 2
7 5 8 2
8 5 9 1
9 6 10 1
10 10 11 1
11 11 12 1
12 11 13 2
13 12 14 1
14 12 15 1
15 6 7 1
16 4 16 1
17 16 17 1
18 16 18 1
19 16 19 1
20 12 20 1
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