ATOM 20
1 C1z C 28.9591 -29.4429
2 C1y C 28.9591 -30.8408
3 C1x C 30.1697 -31.5397
4 C1y C 31.3804 -30.8408
5 C1z C 31.3804 -29.4429
6 O2x O 30.1697 -28.7439
7 C1y C 32.6097 -28.7329
8 C1x C 33.8131 -29.4276
9 C1y C 35.0236 -28.7285
10 C1z C 35.0236 -27.3306
11 C1x C 33.8202 -26.6359
12 C1x C 32.6096 -27.3350
13 C1a C 32.5910 -30.1418
14 X Br 27.7485 -31.5397
15 O1a O 32.6097 -31.5507
16 C1a C 27.9707 -28.4544
17 C1a C 27.7485 -30.1418
18 C1a C 36.4215 -27.3306
19 X Br 36.2533 -29.4383
20 X Cl 35.3826 -25.9907
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 #Up
20 9 19 1 #Up
21 10 20 1 #Down
|