ATOM 24
1 C8x C 23.5200 -17.2900
2 C8y C 23.5200 -18.6900
3 C8x C 24.7100 -19.3900
4 N5x N 25.9700 -18.6900
5 C8y C 25.9700 -17.2900
6 C8y C 24.7100 -16.5900
7 C1d C 22.3300 -19.3900
8 X F 21.1400 -18.6900
9 X F 22.3300 -20.7900
10 X F 21.0700 -20.0900
11 X Cl 24.7100 -15.1900
12 O2a O 27.1600 -16.5900
13 C8y C 28.3500 -17.2900
14 C8x C 28.3500 -18.6900
15 C8x C 29.6100 -19.3900
16 C8y C 30.8000 -18.6900
17 C8x C 30.8000 -17.2900
18 C8x C 29.6100 -16.5900
19 O2a O 31.9900 -19.3900
20 C1c C 33.2500 -18.6900
21 C6a C 34.4400 -19.3900
22 O6a O 35.6300 -18.6900
23 C1a C 33.2500 -17.2900
24 O6a O 34.4400 -20.7900
BOND 25
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 7 9 1
10 7 10 1
11 6 11 1
12 5 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 20 23 1
25 21 24 2
|