ATOM 19
1 C1y C 25.7953 -19.6675
2 C1y C 24.5973 -20.3550
3 C1y C 25.7953 -18.2928
4 N1b N 27.0628 -20.5188
5 C1y C 23.4053 -19.6675
6 O1a O 24.5973 -21.7234
7 O2x O 24.5973 -17.6054
8 O1a O 26.9809 -17.6054
9 C1y C 23.4053 -18.2928
10 O1a O 22.2325 -20.3550
11 C1b C 22.4027 -17.7190
12 O2a O 21.1793 -18.4945
13 S4a S 19.8046 -18.4883
14 O1d O 19.8046 -17.1199
15 O1d O 18.4297 -18.4883
16 O1d O 19.7920 -19.8630
17 C5a C 28.3024 -19.8100
18 C1a C 29.5149 -20.5100
19 O5a O 28.3054 -18.5502
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Up
8 5 9 1
9 5 10 1 #Down
10 9 11 1 #Up
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 2
15 13 16 2
16 7 9 1
17 4 17 1
18 17 18 1
19 17 19 2
|