ATOM 21
1 C1c C 22.5007 -19.3075
2 C1b C 23.6952 -20.0079
3 N1b N 22.5066 -17.9366
4 C8y C 24.8837 -19.3193
5 C8x C 24.8837 -17.9307
6 C8x C 26.0781 -20.0254
7 C8x C 26.0781 -17.2364
8 C8x C 27.2844 -19.3193
9 C8y C 27.2844 -17.9307
10 O2a O 28.4788 -17.2364
11 C5a C 21.2662 -20.0168
12 N1b N 20.0455 -19.3120
13 R R 18.8248 -20.0168
14 C5a C 21.2662 -17.1977
15 R R 20.0455 -17.9025
16 O5a O 21.2759 -15.7882
17 O5a O 21.2647 -21.4262
18 S4a S 29.8884 -17.2364
19 O1d O 31.2979 -17.2364
20 O1d O 29.8884 -15.8586
21 O1d O 29.8884 -18.6777
BOND 21
1 1 2 1
2 1 3 1 #Up
3 2 4 1
4 4 5 1
5 4 6 2
6 5 7 2
7 6 8 1
8 7 9 1
9 9 10 1
10 8 9 2
11 1 11 1
12 11 12 1
13 12 13 1
14 3 14 1
15 14 15 1
16 14 16 2
17 11 17 2
18 10 18 1
19 18 19 1
20 18 20 2
21 18 21 2
|