summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/test_glu_l_aminoacid.xyzcmp
blob: 80e21d6c75800109110773a419d97cac96c2acd1 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
19
glu_l_aminoacid.mmp
N -0.510000 1.988000 -0.010000
C 0.438000 1.024000 0.553000
C 1.753000 1.049000 -0.223000
O 2.465000 0.094000 -0.433000
O 2.090000 2.306000 -0.607000
C -0.170000 -0.388000 0.586000
C -0.614000 -0.894000 -0.798000
C -1.407000 -2.178000 -0.748000
O -1.193000 -3.174000 -1.404000
O -2.450000 -2.105000 0.126000
H -0.069000 2.898000 -0.106000
H -1.298000 2.095000 0.624000
H 0.742000 1.266000 1.590000
H -1.033000 -0.368000 1.260000
H 0.566000 -1.073000 1.016000
H 0.247000 -1.071000 -1.444000
H -1.243000 -0.125000 -1.264000
H -2.896000 -2.967000 0.073000
H 2.946000 2.232000 -1.062000