ATOM 12
1 C1a C 24.1546 -16.5633
2 C1b C 25.3682 -17.2620
3 C1b C 26.5821 -16.5633
4 N1c N 27.7959 -17.2620
5 C5a C 29.0026 -16.5633
6 S2a S 30.2162 -17.2620
7 C1b C 31.4300 -16.5633
8 C1a C 32.6439 -17.2620
9 O5a O 29.0026 -15.1592
10 C1b C 27.7959 -18.6663
11 C1b C 26.5860 -19.3649
12 C1a C 26.5860 -20.7622
BOND 11
1 6 7 1
2 3 4 1
3 7 8 1
4 5 9 2
5 4 5 1
6 4 10 1
7 2 3 1
8 5 6 1
9 10 11 1
10 1 2 1
11 11 12 1
|