ATOM 13
1 C8x C 21.7700 -23.8700
2 C8x C 21.7700 -25.2700
3 C8x C 20.5800 -25.9700
4 C8x C 19.3200 -25.2700
5 C8x C 19.3200 -23.8700
6 C8y C 20.5800 -23.1700
7 C1c C 20.5800 -21.7700
8 O7a O 21.7700 -21.0700
9 C1b C 19.3900 -21.0700
10 C1a C 18.2000 -21.7700
11 C7a C 22.9600 -21.7700
12 C1a C 24.1500 -21.0700
13 O6a O 22.9600 -23.1700
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 7 9 1
10 9 10 1
11 8 11 1
12 11 12 1
13 11 13 2
|