ATOM 16
1 C8x C 13.1600 -18.2000
2 C8x C 13.1600 -19.6000
3 C8x C 14.3724 -20.3000
4 C8y C 15.5849 -19.6000
5 C8y C 15.5849 -18.2000
6 C8x C 14.3724 -17.5000
7 N1b N 16.8224 -17.5000
8 N2b N 18.0349 -18.2000
9 C2y C 19.2473 -17.5000
10 C2y C 20.5285 -18.0704
11 N2x N 21.4670 -17.0282
12 O7x O 20.7657 -15.8136
13 C7x C 19.3939 -16.1052
14 O6a O 18.3488 -15.1642
15 X Cl 16.8160 -20.3110
16 C1a C 20.8165 -19.4260
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 9 13 1
15 13 14 2
16 4 15 1
17 10 16 1
|