ATOM 15
1 C8y C 25.0600 -18.7600
2 C8y C 23.8000 -19.4600
3 S2a S 25.0600 -17.3600
4 N5x N 26.2500 -19.4600
5 C8y C 23.8000 -20.8600
6 N4x N 22.5400 -19.0400
7 C8x C 26.2500 -20.8600
8 N5x N 22.4700 -21.2800
9 N5x N 25.0600 -21.5600
10 C8x C 21.7000 -20.1600
11 C1b C 26.2724 -16.6600
12 C1b C 27.4849 -17.3600
13 C1b C 28.6973 -16.6600
14 C1b C 29.9097 -17.3600
15 C1a C 31.1222 -16.6600
BOND 16
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 6 10 1
10 7 9 2
11 8 10 2
12 3 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
|