ATOM 12
1 C8x C 22.1900 -17.2200
2 C8x C 22.1900 -18.6200
3 C8x C 23.3800 -19.3200
4 C8y C 24.6400 -18.6200
5 C8y C 24.6400 -17.2200
6 C8x C 23.3800 -16.5200
7 C1x C 25.9700 -19.0400
8 C5x C 26.8100 -17.9200
9 C1y C 25.9700 -16.8000
10 O5x O 28.1400 -17.9200
11 C4a C 26.3900 -15.4700
12 O4a O 27.7900 -15.1900
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 2
12 9 11 1
13 11 12 2
|