ATOM 27
1 C8x C 14.4900 -19.0400
2 C8y C 14.4900 -20.4400
3 C8x C 15.7024 -21.1400
4 C8y C 16.9149 -20.4400
5 C8y C 16.9149 -19.0400
6 C8y C 15.7024 -18.3400
7 C1d C 15.7024 -16.9402
8 X F 15.7024 -15.5402
9 N1c N 18.2160 -18.3290
10 C8y C 21.0860 -18.3290
11 C8y C 21.7867 -19.5426
12 C8x C 23.1867 -19.5426
13 C8y C 23.8867 -18.3302
14 C8x C 23.1860 -17.1165
15 C8y C 21.7860 -17.1165
16 X F 17.1024 -16.9402
17 X F 14.3024 -16.9402
18 X Br 21.0962 -15.9228
19 X Br 25.2700 -18.3303
20 C1a C 18.2160 -16.9290
21 N2b N 18.1460 -21.1510 #+
22 O3a O 19.6312 -20.1753 #-
23 O3a O 18.1457 -22.5399
24 N2b N 13.2776 -21.1400 #+
25 O3a O 12.0821 -20.4496 #-
26 O3a O 13.2775 -22.5398
27 X Br 21.0880 -20.7527
BOND 28
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 1
9 5 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 7 16 1
18 7 17 1
19 15 18 1
20 13 19 1
21 9 20 1
22 4 21 1
23 21 22 1
24 21 23 2
25 2 24 1
26 24 25 1
27 24 26 2
28 11 27 1
|