ATOM 13
1 P1a P 18.4800 -14.3500
2 S0 S 18.4800 -12.9500
3 O2b O 17.0800 -14.3500
4 S2a S 19.8800 -14.3500
5 O2b O 18.4800 -15.7500
6 C1b C 16.3800 -13.1376
7 C1b C 17.2676 -16.4500
8 C1b C 20.5800 -15.5624
9 S2a S 21.9798 -15.5624
10 C1b C 22.6703 -16.7580
11 C1a C 24.0797 -16.7580
12 C1a C 14.9802 -13.1376
13 C1a C 16.0721 -15.7596
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 3 6 1
6 5 7 1
7 4 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 6 12 1
12 7 13 1
|