path: root/sim/src/tests/singlebond_stretch/test_H2B_NH2.xyzcmp

6
H2B_NH2.mmp
B -0.768000 -0.018000 0.000000
N 0.628000 0.015000 0.000000
H -1.347000 -0.032000 -1.047000
H -1.347000 -0.032000 1.047000
H 1.181000 0.028000 0.845000
H 1.181000 0.028000 -0.845000