ATOM 27
1 O0 O 23.4500 -25.9700
2 O0 O 27.2300 -25.9700
3 O0 O 30.6600 -25.9700
4 Z K 21.2100 -20.1600 #+
5 Z K 32.5500 -20.1600 #+
6 Z Sb 25.5500 -20.0900
7 O2x O 26.6000 -19.0400
8 C7x C 24.9900 -17.7800
9 O7x O 24.4300 -18.9700
10 Z Sb 28.7700 -20.0900
11 O6a O 29.8200 -19.0400 #-
12 C6a C 29.4700 -17.7800
13 C1y C 28.1400 -17.7800
14 O2x O 27.7200 -18.9700
15 C7x C 29.4700 -22.1900
16 O7x O 29.8900 -21.0000
17 O2x O 27.7200 -21.0000
18 C1y C 28.1400 -22.1900
19 C1y C 26.2500 -22.2600
20 O2x O 26.6700 -21.0000
21 O6a O 24.5000 -21.0000 #-
22 C6a C 24.9200 -22.2600
23 C1y C 26.1800 -17.7800
24 O6a O 30.2400 -16.7300
25 O6a O 24.2200 -16.5900
26 O6a O 24.1500 -23.3100
27 O6a O 30.2400 -23.3100
BOND 24
1 12 13 1
2 13 14 1
3 14 10 1
4 6 7 1
5 7 23 1
6 23 8 1
7 15 16 1
8 16 10 1
9 10 17 1
10 17 18 1
11 18 15 1
12 8 9 1
13 9 6 1
14 19 20 1
15 20 6 1
16 21 22 1
17 22 19 1
18 19 18 1
19 13 23 1
20 12 24 2
21 8 25 2
22 22 26 2
23 11 12 1
24 15 27 2
|