ATOM 16
1 N5x N 27.4841 -19.1476
2 N4y N 27.4902 -17.7438
3 C1b C 28.6984 -17.0422
4 S2a S 29.9047 -17.7335
5 P1a P 31.1180 -17.0351
6 O2b O 31.1180 -15.6384
7 C1a C 29.9047 -14.9400
8 O2b O 32.3314 -17.7263
9 C1a C 32.3314 -19.1231
10 S0 S 32.3314 -16.3227
11 C8y C 26.1568 -17.3043
12 S2x S 25.3269 -18.4366
13 C8y C 26.1472 -19.5758
14 O5x O 25.7270 -15.9618
15 O2a O 25.7148 -20.8866
16 C1a C 24.3378 -21.1728
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 5 8 1
8 8 9 1
9 5 10 2
10 2 11 1
11 11 12 1
12 12 13 1
13 1 13 2
14 11 14 2
15 13 15 1
16 15 16 1
|