1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
|
10790412
Mrv0541 08231309532D
8 7 0 0 1 0 999 V2000
5.9370 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3659 -0.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6515 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3659 -1.1096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0804 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6515 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9230 -1.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8089 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
4 2 1 6 0 0 0
2 6 1 0 0 0 0
3 6 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
M ISO 1 7 3
M END
|
