ATOM 12
1 X Br 27.8150 -16.7769
2 C1b C 29.0279 -17.4766
3 C1c C 30.2408 -16.7769
4 C1c C 31.4537 -17.4766
5 C1c C 32.6667 -16.7769
6 C1c C 33.8796 -17.4766
7 C1b C 35.0925 -16.7769
8 X Br 36.3055 -17.4766
9 O1a O 30.2408 -15.3774
10 O1a O 33.8796 -18.8761
11 O1a O 32.6667 -15.3774
12 O1a O 31.4537 -18.8761
BOND 11
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 3 9 1 #Up
9 6 10 1 #Up
10 5 11 1 #Down
11 4 12 1 #Down
|