ATOM 16
1 C8y C 27.8426 -19.5765
2 C8y C 27.8426 -18.1772
3 C8y C 29.0554 -20.2763
4 C5x C 26.7463 -20.4630
5 C8x C 29.0554 -17.4832
6 C2x C 26.7346 -17.3024
7 C8y C 30.2625 -19.5765
8 O1a O 29.0554 -21.6701
9 C2y C 25.3760 -20.1655
10 O5x O 27.0671 -21.8216
11 C8y C 30.2625 -18.1829
12 C2x C 25.3643 -17.6232
13 O1a O 31.4696 -20.2763
14 C2x C 24.7637 -18.9001
15 O1a O 24.5129 -21.2561
16 O1a O 31.4696 -17.4832
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 2
11 6 12 2
12 7 13 1
13 9 14 2
14 9 15 1
15 11 16 1
16 7 11 1
17 12 14 1
|