ATOM 19
1 C1z C 22.5400 -25.3400
2 C1y C 23.7300 -26.0400
3 C2y C 21.4200 -26.0400
4 C2y C 21.4200 -27.3700
5 C1z C 22.5400 -26.6700
6 C1y C 23.7300 -27.3700
7 C1z C 21.9100 -24.2200
8 C1y C 24.9900 -27.7200
9 C1z C 25.7600 -26.6700
10 C1y C 24.9900 -25.6200
11 X Cl 25.3400 -24.3600
12 X Cl 27.0900 -26.6700
13 X Cl 23.5200 -24.4300
14 X Cl 22.5400 -28.0000
15 X Cl 20.2300 -25.3400
16 X Cl 20.7900 -28.4900
17 X Cl 22.4700 -22.7500
18 X Cl 20.9300 -23.3100
19 O2x O 26.2623 -27.8823
BOND 22
1 1 2 1
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 7 1
7 5 7 1
8 2 6 1
9 6 8 1
10 8 9 1
11 9 10 1
12 2 10 1
13 10 11 1
14 9 12 1
15 1 13 1 #Down
16 5 14 1 #Up
17 3 15 1
18 4 16 1
19 7 17 1
20 7 18 1
21 9 19 1
22 8 19 1
|