ATOM 20
1 C8x C 11.2000 -19.3200
2 C8y C 11.2000 -20.7200
3 C8x C 12.4124 -21.4200
4 C8x C 13.6249 -20.7200
5 C8y C 13.6249 -19.3200
6 C8x C 12.4124 -18.6200
7 X Cl 9.9876 -21.4200
8 C2c C 14.8560 -18.6090
9 N2b N 16.0611 -19.3047
10 C1d C 14.8557 -17.2201
11 X F 13.6314 -16.5134
12 X F 16.0562 -16.5266
13 X F 14.8557 -15.8201
14 O2a O 17.2736 -20.0047
15 C1b C 18.4915 -19.3014
16 C1y C 19.7033 -20.0009
17 O2x O 19.8516 -21.4082
18 C1x C 21.2359 -21.7019
19 C1x C 21.9430 -20.4762
20 O2x O 20.9958 -19.4249
BOND 21
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 5 8 1
9 8 9 2
10 8 10 1
11 10 11 1
12 10 12 1
13 10 13 1
14 9 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 16 20 1
|