ATOM 15
1 C8y C 25.4371 -16.1296
2 C1b C 24.2200 -15.4251
3 C8y C 25.4254 -17.5215
4 C8y C 26.6425 -15.4194
5 C5a C 23.0146 -16.1296
6 C8x C 26.6425 -18.2203
7 X Cl 24.2143 -18.2144
8 C8x C 27.8537 -16.1180
9 X Cl 26.6366 -14.0158
10 N1b N 21.8034 -15.4251
11 O5a O 23.0146 -17.5273
12 C8x C 27.8537 -17.5215
13 C2c C 20.5863 -16.1296
14 N1a N 19.3750 -15.4251
15 N2a N 20.5863 -17.5273
BOND 15
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 2
12 10 13 1
13 13 14 1
14 13 15 2
15 8 12 1
|