summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/test_ser_l_aminoacid.xyzcmp
blob: 44e6b89c5d36a6ebe9e73ad0e7f53ebb12a3de46 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
14
ser_l_aminoacid.mmp
N -1.113000 1.657000 0.486000
C -0.274000 0.508000 0.800000
C 0.887000 0.342000 -0.182000
O 1.767000 -0.480000 -0.030000
O 0.835000 1.171000 -1.242000
C -1.010000 -0.841000 0.883000
O -1.667000 -1.031000 -0.366000
H -1.845000 1.732000 1.189000
H -1.579000 1.490000 -0.403000
H 0.200000 0.677000 1.776000
H -1.733000 -0.801000 1.715000
H -0.284000 -1.637000 1.090000
H -1.999000 -1.936000 -0.404000
H 1.602000 0.942000 -1.794000