ATOM 20
1 C8y C 15.0500 -19.1100
2 C8y C 15.0500 -20.5100
3 C8x C 16.2624 -21.2100
4 C8y C 17.4749 -20.5100
5 C8y C 17.4749 -19.1100
6 C8x C 16.2624 -18.4100
7 N1b N 13.8376 -21.2100
8 C5a C 12.6421 -20.5196
9 C1a C 11.4547 -21.2051
10 O5a O 12.6420 -19.3903
11 C1a C 13.8376 -18.4100
12 C1a C 18.7060 -18.3990
13 N1b N 18.7060 -21.2210
14 S4a S 19.9112 -20.5253
15 C1d C 21.0935 -21.2081
16 X F 22.2875 -20.5188
17 X F 21.0935 -22.6098
18 X F 22.3060 -21.9081
19 O3c O 20.6112 -19.2429
20 O3c O 19.2812 -19.2429
BOND 20
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 2 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 1 11 1
12 5 12 1
13 4 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 15 17 1
18 15 18 1
19 14 19 2
20 14 20 2
|