summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/test_C6H12a.xyzcmp
blob: d34b21b31f9be5de18d8b4c937d8791e92fe5fb6 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
18
C6H12a.mmp
C -0.767000 -0.009000 -1.273000
C 0.771000 0.010000 -1.271000
C 1.323000 0.671000 0.003000
C -0.771000 -0.009000 1.270000
C -1.323000 -0.671000 -0.003000
C 0.767000 0.007000 1.272000
H -1.138000 -0.528000 -2.166000
H -1.136000 1.025000 -1.338000
H 1.146000 0.531000 -2.161000
H 1.141000 -1.022000 -1.335000
H 2.420000 0.637000 0.004000
H 1.048000 1.737000 0.004000
H -1.146000 -0.528000 2.161000
H -1.138000 1.025000 1.333000
H -2.420000 -0.636000 -0.005000
H -1.049000 -1.737000 -0.002000
H 1.135000 -1.028000 1.333000
H 1.140000 0.523000 2.166000