ATOM 17
1 C1y C 18.8877 -19.9419
2 C1y C 19.3092 -21.2769
3 C1y C 20.7092 -21.2885
4 C1y C 21.1529 -19.9607
5 O2x O 20.0272 -19.1284
6 O2x O 21.8349 -22.1209
7 C1y C 22.9744 -21.3074
8 O2x O 22.5529 -19.9724
9 C1d C 24.2810 -21.7437
10 X Cl 25.3209 -20.8227
11 X Cl 24.5663 -23.1425
12 X Cl 25.6333 -22.1060
13 O1a O 18.4793 -22.3995
14 C1c C 17.5734 -19.5027
15 O1a O 16.5097 -20.4442
16 C1b C 17.2989 -18.1565
17 O1a O 15.9552 -17.7079
BOND 18
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1 #Down
7 6 7 1
8 7 8 1
9 4 8 1
10 7 9 1 #Down
11 9 10 1
12 9 11 1
13 9 12 1
14 2 13 1 #Up
15 1 14 1 #Up
16 14 15 1
17 14 16 1
18 16 17 1
|