ATOM 23
1 C8x C 15.8900 -17.6400
2 C8y C 15.8900 -19.0400
3 C8x C 17.1024 -19.7400
4 C8y C 18.3149 -19.0400
5 C8y C 18.3149 -17.6400
6 C8y C 17.1024 -16.9400
7 N2b N 17.1024 -15.5402 #+
8 O3a O 15.8732 -14.8303
9 O3a O 18.5780 -14.5698 #-
10 N2b N 19.5460 -19.7510 #+
11 O3a O 21.1712 -18.7753 #-
12 O3a O 19.5457 -21.1399
13 N1c N 19.5460 -16.9290
14 C1b C 20.7512 -17.6247
15 C1b C 21.9335 -16.9419
16 X Cl 23.1275 -17.6312
17 C1b C 19.5460 -15.5290
18 C1b C 20.7417 -14.8387
19 C1a C 20.7417 -13.4387
20 C1d C 14.6776 -19.7400
21 X F 13.4821 -19.0496
22 X F 14.6775 -21.1398
23 X F 13.4651 -20.4400
BOND 23
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 6 7 1
8 7 8 2
9 7 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 5 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 13 17 1
18 17 18 1
19 18 19 1
20 2 20 1
21 20 21 1
22 20 22 1
23 20 23 1
|