ATOM 17
1 C8x C 25.3202 -17.9765
2 C8y C 25.3202 -19.3755
3 C8x C 26.5093 -20.0749
4 C8x C 27.6984 -19.3755
5 C8y C 27.6984 -17.9765
6 C8y C 26.5093 -17.2771
7 O2b O 28.9575 -17.2771
8 P1a P 30.3564 -17.2771
9 O2b O 31.6854 -17.2771
10 S0 S 30.3564 -15.9481
11 O2b O 30.3564 -18.6760
12 C1b C 31.5455 -19.3755
13 C1b C 32.5947 -15.9481
14 X Cl 26.5093 -15.8781
15 X Cl 24.1059 -20.0700
16 C1a C 34.0166 -15.9868
17 C1a C 32.7756 -18.6783
BOND 17
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 5 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 8 11 1
12 11 12 1
13 9 13 1
14 6 14 1
15 2 15 1
16 13 16 1
17 12 17 1
|