ATOM 15
1 C8x C 20.9300 -25.4800
2 C8x C 20.9300 -26.8800
3 C8x C 22.1424 -27.5800
4 C8x C 23.3549 -26.8800
5 C8y C 23.3549 -25.4800
6 C8y C 22.1424 -24.7800
7 O2a O 22.1424 -23.3802
8 C1b C 20.9132 -22.6703
9 C1a C 19.7092 -23.3654
10 O2a O 24.5860 -24.7690
11 C1b C 25.7912 -25.4647
12 C1c C 26.9735 -24.7819
13 C1b C 28.1675 -25.4712
14 O1a O 29.3554 -24.7852
15 O1a O 26.9735 -23.3802
BOND 15
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 6 7 1
8 7 8 1
9 8 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 12 15 1
|