ATOM 12
1 C8y C 26.8163 -18.8555
2 C8x C 26.8163 -20.2553
3 C8x C 25.5954 -18.1587
4 O2a O 28.0181 -18.1524
5 C8x C 25.5954 -20.9711
6 C8x C 24.3936 -18.8555
7 C1b C 29.2261 -18.8490
8 C8y C 24.3936 -20.2553
9 C1b C 30.4279 -18.1459
10 O1a O 23.1855 -20.9458
11 C1b C 31.6557 -18.8450
12 C1a C 32.8704 -18.1336
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 7 9 1
9 8 10 1
10 6 8 1
11 9 11 1
12 11 12 1
|