ATOM 13
1 N5x N 25.5500 -17.9900
2 C8x C 25.5500 -19.3200
3 N5x N 24.4300 -19.9500
4 C8y C 23.2400 -19.3200
5 C8y C 23.2400 -17.9900
6 C8y C 24.4300 -17.2900
7 S2a S 24.4300 -16.0300
8 C1c C 25.5500 -15.3300
9 C1a C 26.7400 -15.9600
10 C1a C 25.5500 -13.9300
11 N4x N 21.9751 -17.5790
12 C8x C 21.1933 -18.6550
13 N5x N 21.9751 -19.7310
BOND 14
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 6 7 1
8 7 8 1
9 8 9 1
10 8 10 1
11 5 11 1
12 11 12 1
13 12 13 2
14 4 13 1
|