ATOM 12
1 C8x C 26.4242 -17.2556
2 C8x C 26.4242 -18.6556
3 C8x C 27.6404 -19.3590
4 C8y C 27.6404 -16.5592
5 C8y C 28.8496 -17.2556
6 C8y C 28.8435 -18.6556
7 C8x C 30.0538 -19.3641
8 C8x C 31.2700 -18.6658
9 C8x C 31.2759 -17.2659
10 C8x C 30.0658 -16.5645
11 C1b C 27.6421 -15.1595
12 O1a O 28.8563 -14.4575
BOND 13
1 2 3 1
2 3 6 2
3 5 4 2
4 4 1 1
5 5 6 1
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 5 1
11 4 11 1
12 1 2 2
13 11 12 1
|