EDN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAA | CAB | sing | 1.47Å | 1.47Å | |
CAB | CAC | sing | 1.53Å | 1.51Å | |
CAC | NAD | sing | 1.47Å | 1.46Å | |
NAA | HAA1 | sing | 1.01Å | 1.00Å | |
NAA | HAA2 | sing | 1.01Å | 1.00Å | |
CAB | HAB1 | sing | 1.09Å | 1.10Å | |
CAB | HAB2 | sing | 1.09Å | 1.10Å | |
CAC | HAC1 | sing | 1.09Å | 1.10Å | |
CAC | HAC2 | sing | 1.09Å | 1.10Å | |
NAD | HAD1 | sing | 1.01Å | 1.00Å | |
NAD | HAD2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAA | CAB | CAC | 106.7° | 109.4° |
CAB | NAA | HAA1 | 109.5° | 111.0° |
CAB | NAA | HAA2 | 109.5° | 111.0° |
NAA | CAB | HAB1 | 110.4° | 109.5° |
NAA | CAB | HAB2 | 111.0° | 109.5° |
CAB | CAC | NAD | 107.3° | 109.4° |
CAC | CAB | HAB1 | 110.4° | 109.5° |
CAC | CAB | HAB2 | 111.1° | 109.5° |
CAB | CAC | HAC1 | 110.2° | 109.5° |
CAB | CAC | HAC2 | 110.7° | 109.5° |
NAD | CAC | HAC1 | 110.2° | 109.5° |
NAD | CAC | HAC2 | 110.7° | 109.5° |
CAC | NAD | HAD1 | 109.5° | 111.0° |
CAC | NAD | HAD2 | 109.4° | 111.0° |
HAA1 | NAA | HAA2 | 109.5° | 111.0° |
HAB1 | CAB | HAB2 | 107.3° | 109.5° |
HAC1 | CAC | HAC2 | 107.8° | 109.5° |
HAD1 | NAD | HAD2 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAA | CAB | CAC | HAB1 | 120.0° | 120.0° |
NAA | CAB | CAC | HAB2 | 121.1° | 120.0° |
NAA | CAB | CAC | NAD | 0.1° | 180.0° |
CAB | NAA | HAA1 | HAA2 | 120.0° | 124.0° |
NAA | CAB | HAB1 | HAB2 | 121.1° | 120.0° |
NAA | CAB | CAC | HAC1 | 120.1° | 60.0° |
NAA | CAB | CAC | HAC2 | 120.8° | 60.0° |
CAB | CAC | NAD | HAC1 | 120.0° | 120.0° |
CAB | CAC | NAD | HAC2 | 120.8° | 120.0° |
CAC | CAB | NAA | HAA1 | 151.8° | 180.0° |
CAC | CAB | NAA | HAA2 | 88.2° | 56.0° |
CAC | CAB | HAB1 | HAB2 | 121.2° | 120.1° |
CAB | CAC | HAC1 | HAC2 | 120.9° | 120.1° |
CAB | CAC | NAD | HAD1 | 12.0° | 180.0° |
CAB | CAC | NAD | HAD2 | 108.0° | 56.0° |
NAD | CAC | CAB | HAB1 | 119.9° | 60.0° |
NAD | CAC | CAB | HAB2 | 121.1° | 60.0° |
NAD | CAC | HAC1 | HAC2 | 120.9° | 120.0° |
CAC | NAD | HAD1 | HAD2 | 120.0° | 124.0° |
HAA1 | NAA | CAB | HAB1 | 88.2° | 60.0° |
HAA1 | NAA | CAB | HAB2 | 30.7° | 60.0° |
HAA2 | NAA | CAB | HAB1 | 31.8° | 64.0° |
HAA2 | NAA | CAB | HAB2 | 150.7° | 176.0° |
HAB1 | CAB | CAC | HAC1 | 0.1° | 180.0° |
HAB1 | CAB | CAC | HAC2 | 119.3° | 60.0° |
HAB2 | CAB | CAC | HAC1 | 118.9° | 60.0° |
HAB2 | CAB | CAC | HAC2 | 0.3° | 180.0° |
HAC1 | CAC | NAD | HAD1 | 132.0° | 60.0° |
HAC1 | CAC | NAD | HAD2 | 12.0° | 176.0° |
HAC2 | CAC | NAD | HAD1 | 108.8° | 60.0° |
HAC2 | CAC | NAD | HAD2 | 131.2° | 64.0° |