ATOM 20
1 C8y C 26.6000 -16.9400
2 C8y C 26.6000 -18.3400
3 C8y C 27.7900 -19.0400
4 C8x C 28.9800 -18.3400
5 C8y C 28.9800 -16.9400
6 C8x C 27.7900 -16.2400
7 X I 25.3400 -16.2400
8 O7a O 25.3400 -19.0400
9 X I 27.7900 -20.4400
10 C3b C 30.2400 -16.2400
11 N3a N 31.4300 -15.5400
12 C7a C 24.1276 -18.3400
13 C1b C 22.9151 -19.0400
14 C1b C 21.7027 -18.3400
15 C1b C 20.4903 -19.0400
16 C1b C 19.2778 -18.3400
17 C1b C 18.0654 -19.0400
18 C1b C 16.8530 -18.3400
19 C1a C 15.6405 -19.0400
20 O6a O 24.1276 -16.9402
BOND 20
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 2 8 1
9 3 9 1
10 5 10 1
11 10 11 3
12 8 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 12 20 2
|