ATOM 20
1 C8y C 11.6200 -20.7200
2 C8y C 11.6200 -22.1200
3 C8y C 12.8324 -22.8200
4 C8x C 14.0449 -22.1200
5 C8y C 14.0449 -20.7200
6 C8x C 12.8324 -20.0200
7 X Cl 10.4076 -20.0200
8 X Cl 12.8324 -24.2198
9 C1a C 10.4076 -22.8200
10 C5a C 15.2824 -20.0200
11 N1b N 16.4949 -20.7200
12 C1d C 17.7073 -20.0200
13 C5a C 18.9197 -20.7200
14 C1b C 20.1322 -20.0200
15 O5a O 15.2886 -18.6203
16 C1a C 16.8673 -18.8076
17 C1b C 18.6986 -19.0287
18 C1a C 18.6986 -17.6287
19 X Cl 21.3653 -20.7322
20 O5a O 18.9197 -22.1199
BOND 20
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 3 8 1
9 2 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 10 15 2
16 12 16 1
17 12 17 1
18 17 18 1
19 14 19 1
20 13 20 2
|