1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
|
MJ221900
10 9 0 0 1 0 0 0 0 0999 V2000
-5.0051 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2514 -1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2514 -0.4921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5370 -1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7120 -1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8251 -2.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 -3.3488 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.0381 -2.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 -3.1014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.2946 -2.1410 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 4 1 0 0 0 0
4 5 2 3 0 0 0
6 5 1 1 0 0 0
2 3 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 7 1 0 0 0 0
2 10 1 0 0 0 0
M END
|
