ATOM 14
1 C8y C 26.0636 -19.1917
2 C8y C 26.0693 -17.7976
3 C8y C 27.2826 -19.8914
4 O2x O 24.7338 -19.6174
5 C8x C 27.2826 -17.0860
6 O2x O 24.7454 -17.3543
7 C8x C 28.4956 -19.1917
8 O2a O 27.2826 -21.2912
9 C1x C 23.9231 -18.4801
10 C8y C 28.4956 -17.7919
11 C1a C 26.0693 -22.0028
12 C1b C 29.7030 -17.0860
13 C2b C 30.9103 -17.7919
14 C2a C 32.1234 -17.0860
BOND 15
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 3 8 1
8 4 9 1
9 5 10 1
10 8 11 1
11 10 12 1
12 12 13 1
13 13 14 2
14 6 9 1
15 7 10 2
|