1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
|
Issue142b.mol
ChemDraw05140414092D
10 10 0 0 0 0 0 0 0 0999 V2000
-0.2846 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2617 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.9818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.4947 0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 0.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5138 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9914 -0.1413 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6934 1.3676 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.0926 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.5100 -1.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 1 1 0
5 1 1 0
6 2 1 0
7 4 1 0
4 8 1 1
1 9 1 1
2 10 1 6
7 6 1 0
M END
|
