ATOM 13
1 C8x C 25.1544 -19.2871
2 C8x C 26.3635 -18.5866
3 C8y C 25.1510 -16.4911
4 C8y C 26.3606 -17.1908
5 C8y C 23.9382 -18.5866
6 C8y C 23.9382 -17.1857
7 C8x C 22.7251 -16.4852
8 C8x C 21.5118 -17.1857
9 C8x C 21.5118 -18.5866
10 C8x C 22.7251 -19.2871
11 O1a O 25.1541 -15.0902
12 C4a C 27.5734 -16.4894
13 O4a O 28.7870 -17.1892
BOND 14
1 5 1 1
2 3 4 2
3 5 6 2
4 6 7 1
5 7 8 2
6 8 9 1
7 9 10 2
8 10 5 1
9 1 2 2
10 3 11 1
11 2 4 1
12 4 12 1
13 3 6 1
14 12 13 2
|