ATOM 17
1 C2y C 21.0737 -15.4605
2 C2y C 21.0737 -16.8651
3 C5x C 19.8798 -17.5673
4 C8y C 18.6157 -16.8651
5 C8y C 18.6157 -15.4605
6 C5x C 19.8798 -14.7583
7 C8x C 17.4219 -17.5673
8 C8y C 16.2280 -16.8651
9 C8x C 16.2280 -15.4605
10 C8y C 17.4219 -14.7583
11 O5x O 19.8798 -13.3537
12 O5x O 19.8798 -18.9719
13 O2a O 22.2675 -17.5673
14 O1a O 15.0342 -17.5673
15 O1a O 17.4219 -13.3537
16 C1a C 22.2821 -14.7694
17 C1a C 23.4788 -16.8811
BOND 18
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
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 6 11 2
13 3 12 2
14 2 13 1
15 8 14 1
16 10 15 1
17 1 16 1
18 13 17 1
|