ATOM 22
1 C8y C 14.4200 -15.4700
2 C8y C 14.4200 -16.8700
3 C8x C 15.6324 -17.5700
4 C8y C 16.8449 -16.8700
5 C8y C 16.8449 -15.4700
6 C8x C 15.6324 -14.7700
7 O2a O 13.2076 -14.7700
8 C1c C 11.9951 -15.4700
9 C1a C 10.7827 -14.7700
10 C1a C 11.9951 -16.8698
11 X Cl 13.2076 -17.5700
12 X Cl 18.0760 -17.5810
13 N4y N 18.0760 -14.7590
14 N5x N 19.3456 -15.3242
15 C8y C 20.2755 -14.2913
16 O7x O 19.5806 -13.0878
17 C8y C 18.2212 -13.3768
18 C1d C 21.6755 -14.2913
19 C1a C 22.3766 -15.5057
20 C1a C 22.3863 -13.0597
21 C1a C 23.0755 -14.2913
22 O6a O 17.1658 -12.4264
BOND 23
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 1 7 1
8 7 8 1
9 8 9 1
10 8 10 1
11 2 11 1
12 4 12 1
13 5 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 1
18 13 17 1
19 15 18 1
20 18 19 1
21 18 20 1
22 18 21 1
23 17 22 2
|