IRI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
IR | N1 | sing | 0.00Å | 2.26Å | |
IR | N2 | sing | 0.00Å | 2.24Å | |
IR | N3 | sing | 0.00Å | 2.27Å | |
IR | N4 | sing | 0.00Å | 2.26Å | |
IR | N5 | sing | 0.00Å | 2.26Å | |
IR | N6 | sing | 0.00Å | 2.25Å | |
N1 | HN11 | sing | 0.00Å | 1.00Å | |
N1 | HN12 | sing | 0.00Å | 1.00Å | |
N1 | HN13 | sing | 0.00Å | 1.00Å | |
N2 | HN21 | sing | 0.00Å | 1.00Å | |
N2 | HN22 | sing | 0.00Å | 1.00Å | |
N2 | HN23 | sing | 0.00Å | 1.00Å | |
N3 | HN31 | sing | 0.00Å | 1.00Å | |
N3 | HN32 | sing | 0.00Å | 1.00Å | |
N3 | HN33 | sing | 0.00Å | 1.00Å | |
N4 | HN41 | sing | 0.00Å | 1.00Å | |
N4 | HN42 | sing | 0.00Å | 1.00Å | |
N4 | HN43 | sing | 0.00Å | 1.00Å | |
N5 | HN51 | sing | 0.00Å | 1.00Å | |
N5 | HN52 | sing | 0.00Å | 1.00Å | |
N5 | HN53 | sing | 0.00Å | 1.00Å | |
N6 | HN61 | sing | 0.00Å | 1.00Å | |
N6 | HN62 | sing | 0.00Å | 1.00Å | |
N6 | HN63 | sing | 0.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | IR | N2 | 90.8° | 90.0° |
N1 | IR | N3 | 177.2° | 90.0° |
N1 | IR | N4 | 89.2° | 90.0° |
N1 | IR | N5 | 89.1° | 90.0° |
N1 | IR | N6 | 91.8° | 90.0° |
IR | N1 | HN11 | 109.5° | 90.0° |
IR | N1 | HN12 | 109.5° | 90.0° |
IR | N1 | HN13 | 109.5° | 90.0° |
N2 | IR | N3 | 91.7° | 90.0° |
N2 | IR | N4 | 179.8° | 90.0° |
N2 | IR | N5 | 90.5° | 90.0° |
N2 | IR | N6 | 90.1° | 90.0° |
IR | N2 | HN21 | 109.5° | 90.0° |
IR | N2 | HN22 | 109.5° | 90.0° |
IR | N2 | HN23 | 109.5° | 90.0° |
N3 | IR | N4 | 88.2° | 90.0° |
N3 | IR | N5 | 89.7° | 90.0° |
N3 | IR | N6 | 89.3° | 90.0° |
IR | N3 | HN31 | 109.5° | 90.0° |
IR | N3 | HN32 | 109.5° | 90.0° |
IR | N3 | HN33 | 109.5° | 90.0° |
N4 | IR | N5 | 89.7° | 90.0° |
N4 | IR | N6 | 89.7° | 90.0° |
IR | N4 | HN41 | 109.5° | 90.0° |
IR | N4 | HN42 | 109.5° | 90.0° |
IR | N4 | HN43 | 109.4° | 90.0° |
N5 | IR | N6 | 178.9° | 90.0° |
IR | N5 | HN51 | 109.5° | 90.0° |
IR | N5 | HN52 | 109.5° | 90.0° |
IR | N5 | HN53 | 109.5° | 90.0° |
IR | N6 | HN61 | 109.5° | 90.0° |
IR | N6 | HN62 | 109.5° | 90.0° |
IR | N6 | HN63 | 109.5° | 90.0° |
HN11 | N1 | HN12 | 109.5° | 90.0° |
HN11 | N1 | HN13 | 109.5° | 90.0° |
HN12 | N1 | HN13 | 109.4° | 90.0° |
HN21 | N2 | HN22 | 109.5° | 90.0° |
HN21 | N2 | HN23 | 109.5° | 90.0° |
HN22 | N2 | HN23 | 109.4° | 90.0° |
HN31 | N3 | HN32 | 109.5° | 90.0° |
HN31 | N3 | HN33 | 109.4° | 90.0° |
HN32 | N3 | HN33 | 109.4° | 90.0° |
HN41 | N4 | HN42 | 109.5° | 90.0° |
HN41 | N4 | HN43 | 109.5° | 90.0° |
HN42 | N4 | HN43 | 109.5° | 90.0° |
HN51 | N5 | HN52 | 109.5° | 90.0° |
HN51 | N5 | HN53 | 109.5° | 90.0° |
HN52 | N5 | HN53 | 109.5° | 90.0° |
HN61 | N6 | HN62 | 109.5° | 90.0° |
HN61 | N6 | HN63 | 109.5° | 90.0° |
HN62 | N6 | HN63 | 109.4° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | IR | N2 | N3 | 178.9° | 90.0° |
N1 | IR | N2 | N4 | 108.7° | 90.0° |
N1 | IR | N2 | N5 | 89.1° | 90.0° |
N1 | IR | N2 | N6 | 91.8° | 90.0° |
N1 | IR | N3 | N4 | 24.2° | 90.0° |
N1 | IR | N3 | N5 | 65.4° | 90.0° |
N1 | IR | N3 | N6 | 114.0° | 90.0° |
N1 | IR | N4 | N5 | 89.1° | 90.0° |
N1 | IR | N4 | N6 | 91.8° | 90.0° |
N1 | IR | N5 | N6 | 145.7° | 90.0° |
IR | N1 | HN11 | HN12 | 120.0° | 90.0° |
IR | N1 | HN11 | HN13 | 120.0° | 90.0° |
IR | N1 | HN12 | HN13 | 120.0° | 90.0° |
N1 | IR | N2 | HN21 | 180.0° | 90.0° |
N1 | IR | N2 | HN22 | 60.0° | 90.0° |
N1 | IR | N2 | HN23 | 60.0° | 90.0° |
N1 | IR | N3 | HN31 | 180.0° | 90.0° |
N1 | IR | N3 | HN32 | 60.0° | 90.0° |
N1 | IR | N3 | HN33 | 60.0° | 90.0° |
N1 | IR | N4 | HN41 | 180.0° | 90.0° |
N1 | IR | N4 | HN42 | 60.0° | 90.0° |
N1 | IR | N4 | HN43 | 60.0° | 90.0° |
N1 | IR | N5 | HN51 | 180.0° | 90.0° |
N1 | IR | N5 | HN52 | 60.0° | 90.0° |
N1 | IR | N5 | HN53 | 60.0° | 90.0° |
N1 | IR | N6 | HN61 | 180.0° | 90.0° |
N1 | IR | N6 | HN62 | 60.0° | 90.0° |
N1 | IR | N6 | HN63 | 60.0° | 90.0° |
N2 | IR | N3 | N4 | 179.8° | 90.0° |
N2 | IR | N3 | N5 | 90.5° | 90.0° |
N2 | IR | N3 | N6 | 90.1° | 90.0° |
N2 | IR | N4 | N5 | 162.1° | 90.0° |
N2 | IR | N4 | N6 | 16.9° | 90.0° |
N2 | IR | N5 | N6 | 123.5° | 90.0° |
N2 | IR | N1 | HN11 | 180.0° | 90.0° |
N2 | IR | N1 | HN12 | 60.0° | 90.0° |
N2 | IR | N1 | HN13 | 60.0° | 90.0° |
IR | N2 | HN21 | HN22 | 120.0° | 90.0° |
IR | N2 | HN21 | HN23 | 120.0° | 90.0° |
IR | N2 | HN22 | HN23 | 120.0° | 90.0° |
N2 | IR | N3 | HN31 | 24.1° | 90.0° |
N2 | IR | N3 | HN32 | 96.0° | 90.0° |
N2 | IR | N3 | HN33 | 144.1° | 90.0° |
N2 | IR | N4 | HN41 | 71.3° | 90.0° |
N2 | IR | N4 | HN42 | 168.7° | 90.0° |
N2 | IR | N4 | HN43 | 48.7° | 90.0° |
N2 | IR | N5 | HN51 | 89.2° | 90.0° |
N2 | IR | N5 | HN52 | 30.8° | 90.0° |
N2 | IR | N5 | HN53 | 150.8° | 90.0° |
N2 | IR | N6 | HN61 | 89.2° | 90.0° |
N2 | IR | N6 | HN62 | 150.8° | 90.0° |
N2 | IR | N6 | HN63 | 30.8° | 90.0° |
N3 | IR | N4 | N5 | 89.7° | 90.0° |
N3 | IR | N4 | N6 | 89.3° | 90.0° |
N3 | IR | N5 | N6 | 31.8° | 90.0° |
N3 | IR | N1 | HN11 | 24.1° | 90.0° |
N3 | IR | N1 | HN12 | 96.0° | 90.0° |
N3 | IR | N1 | HN13 | 144.1° | 90.0° |
N3 | IR | N2 | HN21 | 1.1° | 90.0° |
N3 | IR | N2 | HN22 | 121.2° | 90.0° |
N3 | IR | N2 | HN23 | 118.9° | 90.0° |
IR | N3 | HN31 | HN32 | 120.1° | 90.0° |
IR | N3 | HN31 | HN33 | 120.0° | 90.0° |
IR | N3 | HN32 | HN33 | 120.0° | 90.0° |
N3 | IR | N4 | HN41 | 1.1° | 90.0° |
N3 | IR | N4 | HN42 | 118.9° | 90.0° |
N3 | IR | N4 | HN43 | 121.1° | 90.0° |
N3 | IR | N5 | HN51 | 2.5° | 90.0° |
N3 | IR | N5 | HN52 | 122.5° | 90.0° |
N3 | IR | N5 | HN53 | 117.5° | 90.0° |
N3 | IR | N6 | HN61 | 2.5° | 90.0° |
N3 | IR | N6 | HN62 | 117.5° | 90.0° |
N3 | IR | N6 | HN63 | 122.6° | 90.0° |
N4 | IR | N5 | N6 | 56.5° | 90.0° |
N4 | IR | N1 | HN11 | 0.2° | 90.0° |
N4 | IR | N1 | HN12 | 120.2° | 90.0° |
N4 | IR | N1 | HN13 | 119.8° | 90.0° |
N4 | IR | N2 | HN21 | 71.2° | 90.0° |
N4 | IR | N2 | HN22 | 48.8° | 90.0° |
N4 | IR | N2 | HN23 | 168.7° | 90.0° |
N4 | IR | N3 | HN31 | 155.7° | 90.0° |
N4 | IR | N3 | HN32 | 84.2° | 90.0° |
N4 | IR | N3 | HN33 | 35.8° | 90.0° |
IR | N4 | HN41 | HN42 | 120.0° | 90.0° |
IR | N4 | HN41 | HN43 | 120.0° | 90.0° |
IR | N4 | HN42 | HN43 | 120.0° | 90.0° |
N4 | IR | N5 | HN51 | 90.7° | 90.0° |
N4 | IR | N5 | HN52 | 149.3° | 90.0° |
N4 | IR | N5 | HN53 | 29.2° | 90.0° |
N4 | IR | N6 | HN61 | 90.8° | 90.0° |
N4 | IR | N6 | HN62 | 29.2° | 90.0° |
N4 | IR | N6 | HN63 | 149.2° | 90.0° |
N5 | IR | N1 | HN11 | 89.5° | 90.0° |
N5 | IR | N1 | HN12 | 30.5° | 90.0° |
N5 | IR | N1 | HN13 | 150.5° | 90.0° |
N5 | IR | N2 | HN21 | 90.9° | 90.0° |
N5 | IR | N2 | HN22 | 149.1° | 90.0° |
N5 | IR | N2 | HN23 | 29.2° | 90.0° |
N5 | IR | N3 | HN31 | 114.6° | 90.0° |
N5 | IR | N3 | HN32 | 5.4° | 90.0° |
N5 | IR | N3 | HN33 | 125.4° | 90.0° |
N5 | IR | N4 | HN41 | 90.9° | 90.0° |
N5 | IR | N4 | HN42 | 29.1° | 90.0° |
N5 | IR | N4 | HN43 | 149.2° | 90.0° |
IR | N5 | HN51 | HN52 | 120.0° | 90.0° |
IR | N5 | HN51 | HN53 | 120.0° | 90.0° |
IR | N5 | HN52 | HN53 | 120.0° | 90.0° |
N5 | IR | N6 | HN61 | 34.3° | 90.0° |
N5 | IR | N6 | HN62 | 85.7° | 90.0° |
N5 | IR | N6 | HN63 | 154.3° | 90.0° |
N6 | IR | N1 | HN11 | 89.9° | 90.0° |
N6 | IR | N1 | HN12 | 150.1° | 90.0° |
N6 | IR | N1 | HN13 | 30.1° | 90.0° |
N6 | IR | N2 | HN21 | 88.2° | 90.0° |
N6 | IR | N2 | HN22 | 31.8° | 90.0° |
N6 | IR | N2 | HN23 | 151.8° | 90.0° |
N6 | IR | N3 | HN31 | 66.0° | 90.0° |
N6 | IR | N3 | HN32 | 174.0° | 90.0° |
N6 | IR | N3 | HN33 | 54.0° | 90.0° |
N6 | IR | N4 | HN41 | 88.2° | 90.0° |
N6 | IR | N4 | HN42 | 151.8° | 90.0° |
N6 | IR | N4 | HN43 | 31.8° | 90.0° |
N6 | IR | N5 | HN51 | 34.3° | 90.0° |
N6 | IR | N5 | HN52 | 154.3° | 90.0° |
N6 | IR | N5 | HN53 | 85.7° | 90.0° |
IR | N6 | HN61 | HN62 | 120.0° | 90.0° |
IR | N6 | HN61 | HN63 | 120.0° | 90.0° |
IR | N6 | HN62 | HN63 | 120.0° | 90.0° |
HN11 | N1 | HN12 | HN13 | 120.0° | 90.0° |
HN21 | N2 | HN22 | HN23 | 120.0° | 90.0° |
HN31 | N3 | HN32 | HN33 | 119.9° | 90.0° |
HN41 | N4 | HN42 | HN43 | 120.0° | 90.0° |
HN51 | N5 | HN52 | HN53 | 120.0° | 90.0° |
HN61 | N6 | HN62 | HN63 | 120.0° | 90.0° |