ATOM 21
1 C8y C 24.7100 -18.6900
2 C8x C 24.7100 -17.2900
3 C8x C 23.5200 -16.5900
4 C8y C 22.3300 -17.2900
5 C8x C 22.3300 -18.6900
6 C8y C 23.5200 -19.3900
7 C8x C 27.1600 -17.2900
8 C8y C 27.1600 -18.6900
9 C8x C 28.3500 -19.3900
10 C8x C 29.6100 -18.6900
11 C8y C 29.6100 -17.2900
12 C8x C 28.3500 -16.5900
13 O2a O 30.8000 -16.5900
14 C1c C 31.9900 -17.2900
15 C6a C 33.1800 -16.5900
16 O6a O 34.4400 -17.2900
17 O6a O 33.1800 -15.1900
18 C1a C 31.9900 -18.6900
19 O2a O 25.9700 -19.3900
20 X Cl 21.1400 -16.5900
21 X Cl 23.5200 -20.7900
BOND 22
1 10 11 1
2 11 12 2
3 12 7 1
4 6 1 1
5 11 13 1
6 13 14 1
7 1 2 2
8 14 15 1
9 2 3 1
10 15 16 1
11 3 4 2
12 4 5 1
13 15 17 2
14 5 6 2
15 14 18 1
16 7 8 2
17 8 19 1
18 19 1 1
19 8 9 1
20 4 20 1
21 9 10 2
22 6 21 1
|