ATOM 23
1 C2y C 28.9385 -19.0413
2 N1y N 30.2189 -18.3425
3 C1x C 31.4207 -19.0406
4 C1x C 32.6312 -18.3418
5 N1y N 32.6312 -16.9441
6 C1x C 31.4207 -16.2453
7 C1x C 30.2105 -16.9441
8 C1a C 33.8416 -16.2453
9 C1x C 26.5666 -21.1969
10 C8y C 27.9687 -21.1852
11 C8y C 25.8190 -20.4083
12 C8y C 28.9384 -20.2212
13 C8x C 28.3309 -22.5171
14 C8y C 25.8307 -19.0530
15 C8x C 24.6155 -21.0859
16 C8x C 30.2528 -20.5951
17 C8x C 29.6453 -22.8676
18 N2x N 27.4020 -18.0833
19 C8x C 24.6331 -18.3520
20 C8x C 23.4356 -20.4083
21 C8x C 30.6150 -21.9096
22 C8y C 23.4356 -19.0296
23 X F 22.2283 -18.3255
BOND 26
1 7 2 1
2 1 2 1
3 5 8 1
4 2 3 1
5 3 4 1
6 4 5 1
7 5 6 1
8 9 10 1
9 9 11 1
10 10 12 2
11 10 13 1
12 11 14 2
13 11 15 1
14 12 1 1
15 12 16 1
16 13 17 2
17 14 18 1
18 14 19 1
19 15 20 2
20 16 21 2
21 19 22 2
22 1 18 2
23 17 21 1
24 20 22 1
25 6 7 1
26 22 23 1
|