ATOM 16
1 P1a P 19.2500 -18.4100
2 S0 S 19.2500 -17.0100
3 O2b O 20.6500 -18.4100
4 S2a S 17.8500 -18.4100
5 O2b O 19.2500 -19.8100
6 C1b C 21.3500 -19.6224
7 C1a C 22.7498 -19.6224
8 C1b C 20.4624 -20.5100
9 C1a C 20.6447 -21.8950
10 C1b C 16.6376 -19.1100
11 C5a C 15.4251 -18.4100
12 N1b N 14.2127 -19.1100
13 C1c C 13.0003 -18.4100
14 O5a O 15.4251 -17.0102
15 C1a C 11.8027 -19.1015
16 C1a C 13.0002 -17.0101
BOND 15
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 3 6 1
6 6 7 1
7 5 8 1
8 8 9 1
9 4 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 11 14 2
14 13 15 1
15 13 16 1
|