ATOM 12
1 C8y C 26.3693 -15.9724
2 C8y C 26.3752 -17.3698
3 C8x C 27.5921 -15.2680
4 O2x O 25.0361 -15.5358
5 C8x C 27.5921 -18.0685
6 O2x O 25.0419 -17.8064
7 C8y C 28.8031 -15.9724
8 C1x C 24.2209 -16.6711
9 C8x C 28.8031 -17.3698
10 C1b C 30.0024 -15.2737
11 C2b C 31.2135 -15.9783
12 C2a C 32.4245 -15.2796
BOND 13
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 10 11 1
11 11 12 2
12 6 8 1
13 7 9 2
|