ATOM 21
1 N1a N 18.0600 -19.8100
2 C1c C 19.2724 -19.1100
3 C5a C 20.4849 -19.8100
4 N1b N 21.6973 -19.1100
5 C1c C 22.9097 -19.8100
6 C5a C 24.1222 -19.1100
7 N1b N 25.3346 -19.8100
8 C1c C 26.5470 -19.1100
9 C5a C 27.7595 -19.8100
10 N1b N 28.9719 -19.1100
11 C1c C 30.1844 -19.8100
12 C6a C 31.3968 -19.1100
13 O5a O 20.4849 -21.2098
14 O5a O 24.1222 -17.7103
15 O5a O 27.7595 -21.2097
16 O6a O 32.6339 -19.8246
17 O6a O 31.3970 -17.7104
18 R R 19.2724 -17.7102
19 R R 22.9097 -21.2099
20 R R 26.5470 -17.7101
21 R R 30.1844 -21.2099
BOND 20
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 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 3 13 2
13 6 14 2
14 9 15 2
15 12 16 1
16 12 17 2
17 2 18 1
18 5 19 1
19 8 20 1
20 11 21 1
|