ATOM 17
1 X Cl 24.1567 -19.4686
2 C1b C 25.3697 -18.7683
3 C5a C 26.5828 -19.4686
4 N1c N 27.7958 -18.7683
5 C1c C 29.0087 -19.4686
6 C1b C 30.2218 -18.7683
7 O2a O 31.4348 -19.4686
8 C1a C 32.6478 -18.7683
9 C8y C 27.7958 -17.3676
10 O5a O 26.5828 -20.8691
11 C8y C 28.9307 -16.5430
12 C8x C 28.4972 -15.2089
13 S2x S 27.0943 -15.2089
14 C8y C 26.6608 -16.5430
15 C1a C 25.3488 -16.9692
16 C1a C 29.0087 -20.8692
17 C1a C 30.2367 -16.9671
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 4 9 1
9 3 10 2
10 9 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 9 14 2
15 14 15 1
16 5 16 1
17 11 17 1
|