ATOM 13
1 C8x C 14.0000 -19.1800
2 C8y C 14.0000 -20.5800
3 C8x C 15.2124 -21.2800
4 C8x C 16.4249 -20.5800
5 C8y C 16.4249 -19.1800
6 C8x C 15.2124 -18.4800
7 N1b N 17.6624 -18.4800
8 C5a C 18.8749 -19.1800
9 N1c N 20.0873 -18.4800
10 C1a C 21.2997 -19.1800
11 O5a O 18.8749 -20.5798
12 X Cl 12.7876 -21.2800
13 C1a C 20.0873 -17.0800
BOND 13
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 8 11 2
12 2 12 1
13 9 13 1
|