ATOM 19
1 C8x C 23.7745 -19.8681
2 C8x C 23.7745 -21.2687
3 C8y C 24.9913 -21.9725
4 C8y C 24.9913 -19.1714
5 C8y C 26.2009 -19.8681
6 C8y C 26.1949 -21.2687
7 C1x C 27.4057 -21.9775
8 C1x C 28.6154 -21.2790
9 C1y C 28.6215 -19.8784
10 C1x C 27.4177 -19.1766
11 O1a O 24.9929 -17.7710
12 X F 24.9945 -23.3729
13 N1c N 29.8381 -19.1869
14 C1b C 31.0489 -19.8887
15 C1b C 29.8442 -17.7864
16 C1b C 31.1130 -21.2893
17 C1a C 32.2539 -21.9982
18 C1b C 28.6333 -17.0775
19 C1a C 28.6392 -15.6771
BOND 20
1 8 9 1
2 9 10 1
3 10 5 1
4 4 11 1
5 1 2 2
6 3 12 1
7 2 3 1
8 9 13 1
9 3 6 2
10 13 14 1
11 5 4 2
12 13 15 1
13 4 1 1
14 14 16 1
15 5 6 1
16 16 17 1
17 6 7 1
18 15 18 1
19 7 8 1
20 18 19 1
|