211
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O3 | C6 | sing | 1.43Å | 1.43Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 109.5° | 106.8° |
| O1 | C2 | C1 | 110.9° | 109.5° |
| O1 | C2 | H21 | 108.7° | 109.5° |
| O1 | C2 | H22 | 109.0° | 109.5° |
| C4 | O2 | HO2 | 109.5° | 106.8° |
| O2 | C4 | C3 | 110.4° | 109.5° |
| O2 | C4 | H41 | 108.9° | 109.4° |
| O2 | C4 | H42 | 109.1° | 109.5° |
| C2 | C1 | N1 | 108.5° | 109.5° |
| C2 | C1 | H11 | 110.0° | 109.5° |
| C2 | C1 | H12 | 109.8° | 109.5° |
| C1 | C2 | H21 | 108.7° | 109.5° |
| C1 | C2 | H22 | 109.0° | 109.4° |
| N1 | C1 | H11 | 110.0° | 109.5° |
| N1 | C1 | H12 | 109.8° | 109.4° |
| C1 | N1 | C3 | 112.8° | 106.7° |
| C1 | N1 | C5 | 112.0° | 106.7° |
| H11 | C1 | H12 | 108.7° | 109.5° |
| H21 | C2 | H22 | 110.6° | 109.5° |
| C6 | O3 | HO3 | 109.5° | 106.8° |
| O3 | C6 | C5 | 109.4° | 109.5° |
| O3 | C6 | H61 | 109.5° | 109.4° |
| O3 | C6 | H62 | 109.5° | 109.5° |
| C4 | C3 | N1 | 109.7° | 109.4° |
| C4 | C3 | H31 | 109.3° | 109.5° |
| C4 | C3 | H32 | 109.4° | 109.5° |
| C3 | C4 | H41 | 108.9° | 109.5° |
| C3 | C4 | H42 | 109.1° | 109.5° |
| N1 | C3 | H31 | 109.3° | 109.5° |
| N1 | C3 | H32 | 109.4° | 109.4° |
| C3 | N1 | C5 | 111.6° | 106.7° |
| H31 | C3 | H32 | 109.7° | 109.5° |
| H41 | C4 | H42 | 110.3° | 109.5° |
| C6 | C5 | N1 | 110.3° | 109.5° |
| C6 | C5 | H51 | 109.0° | 109.5° |
| C6 | C5 | H52 | 109.2° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| N1 | C5 | H51 | 109.0° | 109.4° |
| N1 | C5 | H52 | 109.2° | 109.5° |
| H51 | C5 | H52 | 110.1° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C1 | H21 | 119.4° | 120.0° |
| O1 | C2 | C1 | H22 | 120.0° | 120.0° |
| O1 | C2 | C1 | N1 | 124.5° | 83.6° |
| O1 | C2 | C1 | H11 | 4.1° | 156.4° |
| O1 | C2 | C1 | H12 | 115.5° | 36.4° |
| O1 | C2 | H21 | H22 | 119.6° | 120.0° |
| HO1 | O1 | C2 | C1 | 25.2° | 175.0° |
| HO1 | O1 | C2 | H21 | 144.6° | 65.1° |
| HO1 | O1 | C2 | H22 | 94.8° | 55.0° |
| O2 | C4 | C3 | H41 | 119.6° | 120.0° |
| O2 | C4 | C3 | H42 | 120.0° | 120.0° |
| O2 | C4 | C3 | N1 | 105.6° | 67.1° |
| O2 | C4 | C3 | H31 | 14.3° | 52.8° |
| O2 | C4 | C3 | H32 | 134.4° | 172.9° |
| O2 | C4 | H41 | H42 | 119.7° | 120.0° |
| HO2 | O2 | C4 | C3 | 50.5° | 179.9° |
| HO2 | O2 | C4 | H41 | 69.0° | 60.0° |
| HO2 | O2 | C4 | H42 | 170.5° | 60.0° |
| C2 | C1 | N1 | H11 | 120.4° | 120.0° |
| C2 | C1 | N1 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.2° | 120.0° |
| C1 | C2 | H21 | H22 | 119.6° | 120.0° |
| C2 | C1 | N1 | C3 | 165.7° | 51.9° |
| C2 | C1 | N1 | C5 | 67.3° | 61.8° |
| N1 | C1 | H11 | H12 | 120.3° | 120.0° |
| N1 | C1 | C2 | H21 | 116.1° | 36.4° |
| N1 | C1 | C2 | H22 | 4.5° | 156.4° |
| C1 | N1 | C3 | C4 | 80.1° | 75.9° |
| C1 | N1 | C3 | C5 | 127.1° | 113.7° |
| C1 | N1 | C3 | H31 | 160.0° | 44.1° |
| C1 | N1 | C3 | H32 | 39.9° | 164.1° |
| C1 | N1 | C5 | C6 | 87.6° | 75.5° |
| C1 | N1 | C5 | H51 | 152.7° | 164.5° |
| C1 | N1 | C5 | H52 | 32.4° | 44.5° |
| H11 | C1 | C2 | H21 | 123.4° | 83.6° |
| H11 | C1 | C2 | H22 | 116.0° | 36.4° |
| H11 | C1 | N1 | C3 | 45.3° | 171.9° |
| H11 | C1 | N1 | C5 | 172.3° | 58.2° |
| H12 | C1 | C2 | H21 | 3.9° | 156.3° |
| H12 | C1 | C2 | H22 | 124.5° | 83.6° |
| H12 | C1 | N1 | C3 | 74.3° | 68.1° |
| H12 | C1 | N1 | C5 | 52.7° | 178.2° |
| O3 | C6 | C5 | H61 | 120.0° | 120.0° |
| O3 | C6 | C5 | H62 | 120.0° | 120.1° |
| O3 | C6 | C5 | N1 | 98.2° | 65.2° |
| O3 | C6 | C5 | H51 | 21.5° | 54.7° |
| O3 | C6 | C5 | H52 | 141.8° | 174.8° |
| O3 | C6 | H61 | H62 | 120.0° | 120.0° |
| HO3 | O3 | C6 | C5 | 171.6° | 180.0° |
| HO3 | O3 | C6 | H61 | 68.4° | 60.0° |
| HO3 | O3 | C6 | H62 | 51.6° | 60.0° |
| C4 | C3 | N1 | H31 | 119.9° | 120.0° |
| C4 | C3 | N1 | H32 | 120.0° | 120.0° |
| C4 | C3 | H31 | H32 | 119.9° | 120.1° |
| C3 | C4 | H41 | H42 | 119.7° | 120.0° |
| C4 | C3 | N1 | C5 | 152.7° | 170.4° |
| N1 | C3 | H31 | H32 | 119.9° | 120.0° |
| N1 | C3 | C4 | H41 | 134.9° | 172.9° |
| N1 | C3 | C4 | H42 | 14.4° | 52.9° |
| C3 | N1 | C5 | C6 | 39.9° | 170.7° |
| C3 | N1 | C5 | H51 | 79.7° | 50.8° |
| C3 | N1 | C5 | H52 | 159.9° | 69.3° |
| H31 | C3 | C4 | H41 | 105.3° | 67.1° |
| H31 | C3 | C4 | H42 | 134.3° | 172.9° |
| H31 | C3 | N1 | C5 | 32.9° | 69.6° |
| H32 | C3 | C4 | H41 | 14.9° | 52.9° |
| H32 | C3 | C4 | H42 | 105.6° | 67.1° |
| H32 | C3 | N1 | C5 | 87.3° | 50.4° |
| C6 | C5 | N1 | H51 | 119.7° | 120.0° |
| C6 | C5 | N1 | H52 | 120.0° | 120.0° |
| C6 | C5 | H51 | H52 | 119.8° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| N1 | C5 | H51 | H52 | 119.8° | 120.0° |
| N1 | C5 | C6 | H61 | 141.8° | 174.8° |
| N1 | C5 | C6 | H62 | 21.8° | 54.9° |
| H51 | C5 | C6 | H61 | 98.5° | 65.2° |
| H51 | C5 | C6 | H62 | 141.5° | 174.8° |
| H52 | C5 | C6 | H61 | 21.8° | 54.8° |
| H52 | C5 | C6 | H62 | 98.2° | 65.2° |
