ATOM 12
1 C8x C 25.5798 -18.4550
2 C8x C 25.5798 -19.8552
3 C8y C 26.7953 -20.5553
4 C8x C 28.0037 -19.8552
5 C8y C 28.0037 -18.4550
6 C8y C 26.7953 -17.7549
7 O1a O 26.7972 -16.3548
8 N2b N 29.2169 -17.7560
9 C5a C 26.7972 -21.9555
10 O3a O 30.4290 -18.4569
11 N1a N 28.0107 -22.6540
12 O5a O 25.5854 -22.6571
BOND 12
1 6 1 1
2 6 7 1
3 1 2 2
4 5 8 1
5 2 3 1
6 3 9 1
7 3 4 2
8 8 10 2
9 4 5 1
10 9 11 1
11 5 6 2
12 9 12 2
|