summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/test_C5H10.xyzcmp
blob: 1cc1b485bfe064856c9dbb2eb1b6bc3693920bad (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
15
C5H10.mmp
C -0.539000 1.247000 -0.246000
C 0.997000 1.107000 -0.042000
C -1.128000 -0.100000 0.214000
C -0.055000 -1.112000 -0.220000
C 1.263000 -0.412000 0.174000
H -0.960000 2.100000 0.296000
H -0.769000 1.403000 -1.307000
H 1.335000 1.689000 0.823000
H 1.546000 1.490000 -0.908000
H -2.121000 -0.300000 -0.200000
H -1.217000 -0.113000 1.309000
H -0.173000 -2.100000 0.237000
H -0.097000 -1.241000 -1.309000
H 2.121000 -0.775000 -0.400000
H 1.484000 -0.614000 1.230000