ATOM 11
1 C1y C 17.5881 -15.2851
2 N1b N 17.5881 -13.9810
3 C1x C 16.4635 -15.9311
4 C1x C 18.7306 -15.9311
5 S4a S 19.1672 -13.0181
6 C1x C 16.4635 -17.2471
7 C1x C 18.7306 -17.2471
8 O1d O 19.7576 -14.2683
9 O1d O 20.4713 -12.3481
10 O1d O 18.4972 -11.6823
11 C1x C 17.5881 -17.9111
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 5 10 2
10 6 11 1
11 7 11 1
|