 ATOM 12
1 C1z C 18.4836 -15.5999
2 C1z C 17.8963 -13.4923
3 C5x C 19.6385 -16.1806
4 C1x C 17.2699 -16.2198
5 C1a C 17.8637 -16.9162
6 C1y C 18.8490 -14.4645
7 C1a C 18.4053 -12.1221
8 C1a C 16.8326 -12.6898
9 C1x C 20.1083 -15.1953
10 O5x O 20.0953 -17.5247
11 C1y C 17.8507 -15.1823
12 O1a O 16.7870 -14.2361
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1
8 3 9 1
9 3 10 2
10 4 11 1
11 11 12 1
12 6 9 1
13 6 11 1
|