summaryrefslogtreecommitdiff
path: root/sim/src/tests/heteroatom_organics/test_ADAMframe_S_Cs.xyzcmp
blob: 3990ba89d2caa9dae785905443154c46cb75db85 (plain)
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
24
ADAMframe_S_Cs.mmp
C 0.393000 1.262000 1.279000
C 0.393000 1.262000 -1.279000
C 1.289000 0.014000 1.367000
C 1.289000 0.014000 -1.367000
C -0.473000 1.238000 0.000000
C 0.442000 -1.269000 1.280000
C 0.442000 -1.269000 -1.280000
S 2.544000 0.034000 0.000000
C -0.424000 -1.278000 0.000000
C -1.342000 -0.039000 0.000000
H 1.004000 2.171000 1.315000
H 1.004000 2.171000 -1.315000
H -0.269000 1.284000 2.158000
H -0.269000 1.284000 -2.158000
H 1.883000 0.025000 2.286000
H 1.883000 0.025000 -2.286000
H -1.122000 2.124000 0.000000
H 1.092000 -2.151000 1.315000
H 1.092000 -2.151000 -1.315000
H -0.219000 -1.320000 2.158000
H -0.219000 -1.320000 -2.158000
H -1.036000 -2.191000 0.000000
H -1.994000 -0.051000 0.883000
H -1.994000 -0.051000 -0.883000