ATOM 14
1 C2x C 27.3014 -22.0705
2 C1z C 26.8683 -20.7538
3 C2x C 28.6882 -22.0705
4 O7x O 27.9977 -19.9346
5 C1b C 25.5516 -20.3266
6 C7x C 29.1213 -20.7538
7 C6a C 25.2649 -18.9747
8 O6a O 30.4380 -20.3266
9 O6a O 26.2889 -18.0444
10 O6a O 23.9482 -18.5418
11 S4a S 25.8783 -21.7437
12 O1d O 25.8783 -23.1437
13 O1d O 24.8884 -20.7538
14 O1d O 24.6659 -22.4437
BOND 14
1 1 2 1
2 1 3 2
3 2 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 6 8 2
8 7 9 1
9 7 10 2
10 4 6 1
11 2 11 1
12 11 12 2
13 11 13 2
14 11 14 1
|