ATOM 9
1 C1y C 28.8400 -16.2371
2 C1x C 30.0508 -16.9414
3 C1x C 27.6233 -16.9414
4 O1a O 28.8457 -14.8399
5 C5x C 30.0508 -18.3443
6 C2y C 27.6233 -18.3443
7 C2x C 28.8400 -19.0372
8 O5x O 31.2675 -19.0372
9 O1a O 26.4125 -19.0372
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 5 8 2
8 6 9 1
9 6 7 2
|