-
Notifications
You must be signed in to change notification settings - Fork 88
/
zw_l_alanine.sdf
32 lines (30 loc) · 1.14 KB
/
zw_l_alanine.sdf
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
26
27
28
29
30
31
32
RDKit 2D
13 12 0 0 0 0 0 0 0 0999 V2000
2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1828 -1.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8644 -0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8511 -1.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 2.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 2.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0778 0.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 1 0
4 6 2 0
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 6
3 11 1 0
3 12 1 0
3 13 1 0
M CHG 2 3 1 5 -1
M END
$$$$