16D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.50Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.46Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.32Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | N2 | sing | 1.47Å | 1.32Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN11 | 110.8° | 106.7° |
| C1 | N1 | HN12 | 111.7° | 106.7° |
| N1 | C1 | C2 | 110.8° | 109.5° |
| N1 | C1 | H11 | 111.8° | 109.4° |
| N1 | C1 | H12 | 111.7° | 109.4° |
| HN11 | N1 | HN12 | 111.7° | 106.7° |
| C2 | C1 | H11 | 111.7° | 109.5° |
| C2 | C1 | H12 | 111.7° | 109.5° |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C1 | C2 | H21 | 111.2° | 109.5° |
| C1 | C2 | H22 | 111.2° | 109.5° |
| H11 | C1 | H12 | 98.7° | 109.4° |
| C3 | C2 | H21 | 111.2° | 109.4° |
| C3 | C2 | H22 | 111.1° | 109.4° |
| C2 | C3 | C4 | 114.5° | 109.6° |
| C2 | C3 | H31 | 110.3° | 109.5° |
| C2 | C3 | H32 | 110.4° | 109.5° |
| H21 | C2 | H22 | 99.1° | 109.4° |
| C4 | C3 | H31 | 110.3° | 109.4° |
| C4 | C3 | H32 | 110.3° | 109.5° |
| C3 | C4 | C5 | 107.0° | 109.6° |
| C3 | C4 | H41 | 113.1° | 109.4° |
| C3 | C4 | H42 | 113.1° | 109.4° |
| H31 | C3 | H32 | 99.9° | 109.4° |
| C5 | C4 | H41 | 113.2° | 109.5° |
| C5 | C4 | H42 | 113.1° | 109.5° |
| C4 | C5 | C6 | 126.5° | 109.5° |
| C4 | C5 | H51 | 106.2° | 109.4° |
| C4 | C5 | H52 | 106.2° | 109.4° |
| H41 | C4 | H42 | 97.3° | 109.4° |
| C6 | C5 | H51 | 106.2° | 109.5° |
| C6 | C5 | H52 | 106.2° | 109.5° |
| C5 | C6 | N2 | 118.0° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| H51 | C5 | H52 | 103.3° | 109.4° |
| N2 | C6 | H61 | 109.1° | 109.4° |
| N2 | C6 | H62 | 109.1° | 109.4° |
| C6 | N2 | HN21 | 118.1° | 106.7° |
| C6 | N2 | HN22 | 109.1° | 106.7° |
| H61 | C6 | H62 | 101.0° | 109.4° |
| HN21 | N2 | HN22 | 109.1° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | HN11 | HN12 | 125.2° | 113.8° |
| N1 | C1 | C2 | H11 | 125.3° | 120.0° |
| N1 | C1 | C2 | H12 | 125.2° | 120.0° |
| N1 | C1 | H11 | H12 | 117.7° | 119.9° |
| N1 | C1 | C2 | C3 | 43.9° | 180.0° |
| N1 | C1 | C2 | H21 | 169.2° | 60.0° |
| N1 | C1 | C2 | H22 | 81.3° | 60.0° |
| HN11 | N1 | C1 | C2 | 180.0° | 180.0° |
| HN11 | N1 | C1 | H11 | 54.8° | 60.0° |
| HN11 | N1 | C1 | H12 | 54.8° | 60.0° |
| HN12 | N1 | C1 | C2 | 54.7° | 66.2° |
| HN12 | N1 | C1 | H11 | 180.0° | 173.8° |
| HN12 | N1 | C1 | H12 | 70.5° | 53.8° |
| C2 | C1 | H11 | H12 | 117.6° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.1° | 120.0° |
| C1 | C2 | C3 | C4 | 154.3° | 180.0° |
| C1 | C2 | C3 | H31 | 80.5° | 60.0° |
| C1 | C2 | C3 | H32 | 29.0° | 59.9° |
| H11 | C1 | C2 | C3 | 81.4° | 60.0° |
| H11 | C1 | C2 | H21 | 43.9° | 180.0° |
| H11 | C1 | C2 | H22 | 153.4° | 60.0° |
| H12 | C1 | C2 | C3 | 169.1° | 60.0° |
| H12 | C1 | C2 | H21 | 65.6° | 60.0° |
| H12 | C1 | C2 | H22 | 43.9° | 180.0° |
| C3 | C2 | H21 | H22 | 117.0° | 119.9° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 116.2° | 120.0° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C4 | H41 | 54.0° | 59.9° |
| C2 | C3 | C4 | H42 | 55.4° | 59.9° |
| H21 | C2 | C3 | C4 | 29.0° | 60.0° |
| H21 | C2 | C3 | H31 | 154.2° | 179.9° |
| H21 | C2 | C3 | H32 | 96.3° | 60.1° |
| H22 | C2 | C3 | C4 | 80.4° | 60.0° |
| H22 | C2 | C3 | H31 | 44.8° | 60.0° |
| H22 | C2 | C3 | H32 | 154.3° | 180.0° |
| C4 | C3 | H31 | H32 | 116.2° | 119.9° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 119.0° | 119.9° |
| C3 | C4 | C5 | C6 | 131.9° | 180.0° |
| C3 | C4 | C5 | H51 | 6.7° | 60.0° |
| C3 | C4 | C5 | H52 | 102.8° | 60.0° |
| H31 | C3 | C4 | C5 | 55.4° | 60.0° |
| H31 | C3 | C4 | H41 | 179.3° | 180.0° |
| H31 | C3 | C4 | H42 | 69.8° | 60.1° |
| H32 | C3 | C4 | C5 | 54.1° | 59.9° |
| H32 | C3 | C4 | H41 | 71.2° | 60.1° |
| H32 | C3 | C4 | H42 | 179.3° | 180.0° |
| C5 | C4 | H41 | H42 | 119.0° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 111.6° | 119.9° |
| C4 | C5 | C6 | N2 | 20.9° | 180.0° |
| C4 | C5 | C6 | H61 | 104.3° | 60.0° |
| C4 | C5 | C6 | H62 | 146.2° | 60.0° |
| H41 | C4 | C5 | C6 | 102.8° | 60.0° |
| H41 | C4 | C5 | H51 | 132.0° | 180.0° |
| H41 | C4 | C5 | H52 | 22.5° | 60.1° |
| H42 | C4 | C5 | C6 | 6.7° | 60.0° |
| H42 | C4 | C5 | H51 | 118.5° | 60.1° |
| H42 | C4 | C5 | H52 | 131.9° | 180.0° |
| C6 | C5 | H51 | H52 | 111.5° | 120.0° |
| C5 | C6 | N2 | H61 | 125.3° | 120.0° |
| C5 | C6 | N2 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 114.9° | 120.0° |
| C5 | C6 | N2 | HN21 | 180.0° | 180.0° |
| C5 | C6 | N2 | HN22 | 54.8° | 66.2° |
| H51 | C5 | C6 | N2 | 146.2° | 60.0° |
| H51 | C5 | C6 | H61 | 20.9° | 180.0° |
| H51 | C5 | C6 | H62 | 88.6° | 60.0° |
| H52 | C5 | C6 | N2 | 104.3° | 60.0° |
| H52 | C5 | C6 | H61 | 130.4° | 60.0° |
| H52 | C5 | C6 | H62 | 20.9° | 180.0° |
| N2 | C6 | H61 | H62 | 114.8° | 119.9° |
| C6 | N2 | HN21 | HN22 | 125.3° | 113.8° |
| H61 | C6 | N2 | HN21 | 54.7° | 60.0° |
| H61 | C6 | N2 | HN22 | 70.5° | 53.8° |
| H62 | C6 | N2 | HN21 | 54.7° | 60.0° |
| H62 | C6 | N2 | HN22 | 179.9° | 173.8° |
