ATOM 16
1 C8x C 15.6800 -16.3800
2 C8x C 15.6800 -17.7800
3 C8x C 16.8924 -18.4800
4 C8y C 18.1049 -17.7800
5 C8y C 18.1049 -16.3800
6 C8x C 16.8924 -15.6800
7 C2x C 19.3173 -18.4800
8 C2x C 20.5297 -17.7800
9 C2y C 20.5297 -16.3800
10 C5x C 19.3173 -15.6800
11 N2b N 21.7273 -15.6885
12 N1b N 22.9156 -16.3745
13 C5a C 24.1064 -15.6869
14 N1a N 25.2960 -16.3737
15 O5a O 24.1064 -14.2802
16 O5x O 19.3173 -14.2800
BOND 17
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 2
13 11 12 1
14 12 13 1
15 13 14 1
16 13 15 2
17 10 16 2
|