summaryrefslogtreecommitdiff
path: root/sim/src/tests/heteroatom_organics/test_ADAMframe_PH_Cs.xyzcmp
blob: 07fe613fe91c3c8db37b44bda8037aab8a288053 (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
27
25
ADAMframe_PH_Cs.mmp
C -1.220000 -0.411000 1.283000
C -1.220000 -0.411000 -1.283000
C 0.081000 0.413000 1.387000
C 0.081000 0.413000 -1.387000
C -1.248000 -1.271000 0.000000
C 1.311000 -0.519000 1.285000
C 1.311000 -0.519000 -1.285000
P 0.238000 1.688000 0.000000
C 1.266000 -1.380000 0.000000
C -0.032000 -2.217000 0.000000
H -2.093000 0.252000 1.322000
H -2.093000 0.252000 -1.322000
H -1.296000 -1.080000 2.154000
H -1.296000 -1.080000 -2.154000
H 0.109000 0.959000 2.336000
H 0.109000 0.959000 -2.336000
H -2.174000 -1.862000 0.000000
H 2.243000 0.062000 1.324000
H 2.243000 0.062000 -1.324000
H 1.326000 -1.188000 2.157000
H 1.326000 -1.188000 -2.157000
H -1.111000 2.160000 0.000000
H 2.134000 -2.052000 0.000000
H -0.059000 -2.869000 0.883000
H -0.059000 -2.869000 -0.883000