ATOM 15
1 C8x C 10.5000 -17.8500
2 C8x C 10.5000 -19.2500
3 C8x C 11.7124 -19.9500
4 C8y C 12.9249 -19.2500
5 C8y C 12.9249 -17.8500
6 C8x C 11.7124 -17.1500
7 C8x C 14.1373 -19.9500
8 C8x C 15.3497 -19.2500
9 C8y C 15.3497 -17.8500
10 C8x C 14.1373 -17.1500
11 O2a O 16.5424 -17.1500
12 C1b C 17.7549 -17.8500
13 C6a C 18.9673 -17.1500
14 O6a O 20.1797 -17.8500
15 O6a O 18.9673 -15.7500
BOND 16
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 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 13 15 2
|