ATOM 15
1 C8y C 22.7500 -18.2000
2 C8y C 22.7500 -19.6000
3 O2x O 23.9624 -20.3000
4 C8y C 25.1749 -19.6000
5 C8y C 25.1749 -18.2000
6 C8x C 26.3873 -20.3000
7 C8x C 27.5997 -19.6000
8 C8y C 27.5997 -18.2000
9 C8x C 26.3873 -17.5000
10 C8x C 21.5376 -17.5000
11 C8y C 20.3251 -18.2000
12 C8x C 20.3251 -19.6000
13 C8x C 21.5376 -20.3000
14 O1a O 19.0940 -17.4890
15 X Cl 28.7973 -17.5085
BOND 17
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 2
7 6 7 1
8 7 8 2
9 8 9 1
10 5 9 2
11 1 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 2 13 1
16 11 14 1
17 8 15 1
|