ATOM 20
1 C1z C 29.0253 -29.4530
2 C1y C 29.0253 -30.8463
3 C1x C 30.2096 -31.5430
4 C1y C 31.3939 -30.8463
5 C1z C 31.3939 -29.4530
6 O2x O 30.2096 -28.7564
7 C1y C 32.6478 -28.6867
8 C1x C 33.8321 -29.3834
9 C1y C 35.0164 -28.6867
10 C1z C 35.0164 -27.2934
11 C1x C 33.8321 -26.6665
12 C1x C 32.6478 -27.2934
13 C1a C 32.6478 -30.1497
14 X Br 27.7714 -31.5430
15 O1a O 32.6478 -31.5430
16 C1a C 28.0500 -28.4081
17 C1a C 27.7714 -30.1497
18 C1a C 36.4097 -27.2934
19 X Cl 36.2704 -29.4530
20 X Br 35.3648 -25.9698
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 5 13 1 #Up
15 2 14 1 #Up
16 4 15 1 #Down
17 1 16 1
18 1 17 1
19 10 18 1 #Down
20 9 19 1 #Down
21 10 20 1 #Up
|