ATOM 23
1 C1c C 25.9700 -18.6900
2 N1b N 24.7100 -19.3200
3 C5a C 27.0900 -19.3200
4 C1b C 25.9700 -17.0800
5 C5a C 23.5900 -18.6900
6 O5a O 27.0900 -20.6500
7 C1b C 22.4000 -19.3200
8 O5a O 23.5900 -17.3600
9 C1b C 21.2800 -18.6900
10 C1c C 20.0900 -19.3200
11 C6a C 18.9700 -18.6900
12 N1a N 20.0900 -20.6500
13 O6a O 17.7100 -19.3900
14 O6a O 18.9700 -17.3600
15 S2a S 27.1824 -16.3800
16 C5a C 27.1824 -14.9800
17 R R 28.3779 -14.2896
18 O5a O 25.9533 -14.2702
19 N1b N 28.3024 -18.6200
20 C1b C 29.5149 -19.3200
21 C6a C 30.7273 -18.6200
22 O6a O 31.9418 -19.3212
23 O6a O 30.7273 -17.2200
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 2
6 5 7 1
7 5 8 2
8 7 9 1
9 9 10 1
10 10 11 1
11 10 12 1 #Down
12 11 13 1
13 11 14 2
14 4 15 1
15 15 16 1
16 16 17 1
17 16 18 2
18 3 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 21 23 2
|