Geometry
Conformation Search
tensormol02 - 100
Energy: -512.2274281564112 Ha
1 N 0.488524 0.596654 -1.565711
2 C -0.494902 -0.231885 -0.742083
3 C -1.458866 0.760881 -0.082961
4 O -0.959607 1.372679 0.890745
5 C 0.213531 -1.067604 0.323979
6 C 0.172982 -0.442767 1.707220
7 O -0.636439 -0.718255 2.531667
8 O 1.152066 0.493730 1.904991
9 O -2.577962 0.862057 -0.577221
10 H 0.662616 1.516682 -1.135830
11 H -1.082158 -0.823677 -1.418035
12 H 1.251758 -1.218028 0.014176
13 H -0.253843 -2.049184 0.378355
14 H 1.995485 0.043830 1.897615
15 H 0.108737 0.730367 -2.506919
16 H 1.418078 0.174521 -1.619988
of 100
Comment:
Atomic Coordinates
indices
1 N -1.601393 46.762645 20.726553
2 C -0.646677 45.819213 21.387363
3 C 0.453531 45.400457 20.315436
4 O 0.744030 46.292802 19.516677
5 C -1.313679 44.591575 21.989363
6 C -0.402239 43.857792 22.944186
7 O 0.651599 44.250398 23.357099
8 O -0.951762 42.687626 23.303537
9 O 0.889906 44.257105 20.405800
10 H -1.035821 47.393618 20.163144
11 H -0.094219 46.357681 22.156419
12 H -1.599176 43.875175 21.208953
13 H -2.224282 44.858575 22.536444
14 H -0.338224 42.259646 23.911512
15 H -2.150014 47.267263 21.416407
16 H -2.217579 46.225429 20.112107