2YH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C7 | sing | 1.47Å | 1.50Å | |
| N4 | C2 | sing | 1.47Å | 1.49Å | |
| C10 | N2 | sing | 1.47Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.35Å | 1.38Å | |
| N1 | C5 | sing | 1.46Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| O1 | C1 | doub | 1.21Å | 1.33Å | |
| C1 | O2 | sing | 1.34Å | 1.22Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| N3 | H2 | sing | 1.01Å | 1.00Å | |
| N3 | H3 | sing | 1.01Å | 1.00Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 1.01Å | 1.00Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 1.01Å | 1.00Å | |
| N4 | H23 | sing | 1.01Å | 1.00Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C7 | C8 | 110.4° | 109.5° |
| N3 | C7 | C6 | 117.7° | 109.4° |
| N3 | C7 | H1 | 106.5° | 109.5° |
| C7 | N3 | H2 | 109.5° | 111.0° |
| C7 | N3 | H3 | 109.4° | 111.0° |
| N4 | C2 | C3 | 111.2° | 109.5° |
| N4 | C2 | C1 | 110.8° | 109.5° |
| N4 | C2 | H21 | 108.7° | 109.4° |
| C2 | N4 | H22 | 109.5° | 111.0° |
| C2 | N4 | H23 | 109.5° | 111.1° |
| N2 | C10 | C9 | 113.3° | 109.5° |
| N2 | C10 | H9 | 108.5° | 109.4° |
| N2 | C10 | H10 | 108.5° | 109.5° |
| C10 | N2 | H11 | 109.5° | 111.0° |
| C10 | N2 | H12 | 109.4° | 111.0° |
| C10 | C9 | C8 | 113.8° | 109.5° |
| C10 | C9 | H7 | 108.4° | 109.4° |
| C10 | C9 | H8 | 108.4° | 109.5° |
| C9 | C10 | H9 | 108.5° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.5° |
| C8 | C7 | C6 | 108.9° | 109.5° |
| C7 | C8 | C9 | 110.6° | 109.5° |
| C8 | C7 | H1 | 106.2° | 109.5° |
| C7 | C8 | H5 | 109.2° | 109.4° |
| C7 | C8 | H6 | 109.2° | 109.5° |
| C7 | C6 | N1 | 122.6° | 120.0° |
| C7 | C6 | O3 | 116.6° | 120.0° |
| C6 | C7 | H1 | 106.5° | 109.5° |
| C9 | C8 | H5 | 109.2° | 109.4° |
| C9 | C8 | H6 | 109.2° | 109.5° |
| C8 | C9 | H7 | 108.4° | 109.4° |
| C8 | C9 | H8 | 108.4° | 109.5° |
| C6 | N1 | C5 | 112.6° | 120.0° |
| N1 | C6 | O3 | 120.8° | 119.9° |
| C6 | N1 | H14 | 123.7° | 119.9° |
| N1 | C5 | C4 | 109.5° | 109.5° |
| C5 | N1 | H14 | 123.7° | 120.0° |
| N1 | C5 | H15 | 109.5° | 109.5° |
| N1 | C5 | H16 | 109.5° | 109.5° |
| C3 | C4 | C5 | 111.5° | 109.5° |
| C4 | C3 | C2 | 111.8° | 109.5° |
| C3 | C4 | H17 | 109.0° | 109.5° |
| C3 | C4 | H18 | 109.0° | 109.4° |
| C4 | C3 | H19 | 108.9° | 109.5° |
| C4 | C3 | H20 | 108.9° | 109.5° |
| C4 | C5 | H15 | 109.5° | 109.5° |
| C4 | C5 | H16 | 109.5° | 109.5° |
| C5 | C4 | H17 | 108.9° | 109.5° |
| C5 | C4 | H18 | 109.0° | 109.5° |
| C3 | C2 | C1 | 109.2° | 109.5° |
| C2 | C3 | H19 | 108.9° | 109.5° |
| C2 | C3 | H20 | 108.9° | 109.4° |
| C3 | C2 | H21 | 108.3° | 109.5° |
| C2 | C1 | O1 | 119.9° | 120.0° |
| C2 | C1 | O2 | 121.0° | 120.0° |
| C1 | C2 | H21 | 108.6° | 109.5° |
| O1 | C1 | O2 | 119.0° | 120.0° |
| C1 | O2 | H25 | 109.5° | 116.9° |
| H2 | N3 | H3 | 109.5° | 111.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H11 | N2 | H12 | 109.4° | 110.9° |
| H15 | C5 | H16 | 109.5° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.5° | 109.5° |
| H22 | N4 | H23 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C7 | C8 | C6 | 130.6° | 119.9° |
| N3 | C7 | C8 | H1 | 115.1° | 120.0° |
| N3 | C7 | C6 | H1 | 119.3° | 120.0° |
| N3 | C7 | C8 | C9 | 97.5° | 65.1° |
| N3 | C7 | C6 | N1 | 15.9° | 159.7° |
| N3 | C7 | C6 | O3 | 164.5° | 20.0° |
| C7 | N3 | H2 | H3 | 120.0° | 124.0° |
| N3 | C7 | C8 | H5 | 142.3° | 175.0° |
| N3 | C7 | C8 | H6 | 22.7° | 55.0° |
| N4 | C2 | C3 | C4 | 61.2° | 65.0° |
| N4 | C2 | C3 | C1 | 122.5° | 120.0° |
| N4 | C2 | C3 | H21 | 119.3° | 120.0° |
| N4 | C2 | C1 | H21 | 119.3° | 120.0° |
| N4 | C2 | C1 | O1 | 35.5° | 20.0° |
| N4 | C2 | C1 | O2 | 144.4° | 160.0° |
| N4 | C2 | C3 | H19 | 178.4° | 175.1° |
| N4 | C2 | C3 | H20 | 59.1° | 55.1° |
| C2 | N4 | H22 | H23 | 120.0° | 124.0° |
| N2 | C10 | C9 | H9 | 120.6° | 120.0° |
| N2 | C10 | C9 | H10 | 120.6° | 120.0° |
| N2 | C10 | C9 | C8 | 102.7° | 180.0° |
| N2 | C10 | C9 | H7 | 136.6° | 60.0° |
| N2 | C10 | C9 | H8 | 17.9° | 60.0° |
| N2 | C10 | H9 | H10 | 118.3° | 119.9° |
| C10 | N2 | H11 | H12 | 120.0° | 123.9° |
| C10 | C9 | C8 | C7 | 45.7° | 180.0° |
| C10 | C9 | C8 | H7 | 120.7° | 120.0° |
| C10 | C9 | C8 | H8 | 120.6° | 120.0° |
| C10 | C9 | C8 | H5 | 165.8° | 60.0° |
| C10 | C9 | C8 | H6 | 74.5° | 60.0° |
| C10 | C9 | H7 | H8 | 118.0° | 120.0° |
| C9 | C10 | H9 | H10 | 118.3° | 120.0° |
| C9 | C10 | N2 | H11 | 180.0° | 180.0° |
| C9 | C10 | N2 | H12 | 60.0° | 56.1° |
| C8 | C7 | C6 | H1 | 114.1° | 120.0° |
| C7 | C8 | C9 | H5 | 120.1° | 119.9° |
| C7 | C8 | C9 | H6 | 120.2° | 120.0° |
| C8 | C7 | C6 | N1 | 110.7° | 80.3° |
| C8 | C7 | C6 | O3 | 68.9° | 100.0° |
| C8 | C7 | N3 | H2 | 180.0° | 60.0° |
| C8 | C7 | N3 | H3 | 60.0° | 176.0° |
| C7 | C8 | H5 | H6 | 119.5° | 120.0° |
| C7 | C8 | C9 | H7 | 166.3° | 60.1° |
| C7 | C8 | C9 | H8 | 74.9° | 60.0° |
| C6 | C7 | C8 | C9 | 131.9° | 175.0° |
| C7 | C6 | N1 | O3 | 179.6° | 179.7° |
| C7 | C6 | N1 | C5 | 157.0° | 179.7° |
| C6 | C7 | N3 | H2 | 54.2° | 60.0° |
| C6 | C7 | N3 | H3 | 174.2° | 64.0° |
| C6 | C7 | C8 | H5 | 11.7° | 55.1° |
| C6 | C7 | C8 | H6 | 107.9° | 65.0° |
| C7 | C6 | N1 | H14 | 23.0° | 0.3° |
| C9 | C8 | C7 | H1 | 17.6° | 54.9° |
| C9 | C8 | H5 | H6 | 119.5° | 120.0° |
| C8 | C9 | H7 | H8 | 118.0° | 120.0° |
| C8 | C9 | C10 | H9 | 17.8° | 60.0° |
| C8 | C9 | C10 | H10 | 136.7° | 59.9° |
| C6 | N1 | C5 | H14 | 180.0° | 180.0° |
| C6 | N1 | C5 | C4 | 178.8° | 180.0° |
| N1 | C6 | C7 | H1 | 135.2° | 39.7° |
| C6 | N1 | C5 | H15 | 61.2° | 60.0° |
| C6 | N1 | C5 | H16 | 58.8° | 60.0° |
| N1 | C5 | C4 | C3 | 157.5° | 180.0° |
| N1 | C5 | C4 | H15 | 120.0° | 120.0° |
| N1 | C5 | C4 | H16 | 120.0° | 120.0° |
| C5 | N1 | C6 | O3 | 23.4° | 0.0° |
| N1 | C5 | H15 | H16 | 120.0° | 120.0° |
| N1 | C5 | C4 | H17 | 82.2° | 60.0° |
| N1 | C5 | C4 | H18 | 37.2° | 60.0° |
| C3 | C4 | C5 | H17 | 120.3° | 120.0° |
| C3 | C4 | C5 | H18 | 120.3° | 120.0° |
| C4 | C3 | C2 | H19 | 120.4° | 120.0° |
| C4 | C3 | C2 | H20 | 120.3° | 120.0° |
| C4 | C3 | C2 | C1 | 176.2° | 175.0° |
| C3 | C4 | C5 | H15 | 82.5° | 60.0° |
| C3 | C4 | C5 | H16 | 37.5° | 60.0° |
| C3 | C4 | H17 | H18 | 119.1° | 120.0° |
| C4 | C3 | H19 | H20 | 118.9° | 120.1° |
| C4 | C3 | C2 | H21 | 58.1° | 55.0° |
| C5 | C4 | C3 | C2 | 161.5° | 180.0° |
| C4 | C5 | N1 | H14 | 1.2° | 0.0° |
| C4 | C5 | H15 | H16 | 120.0° | 120.0° |
| C5 | C4 | H17 | H18 | 119.0° | 120.0° |
| C5 | C4 | C3 | H19 | 41.1° | 60.0° |
| C5 | C4 | C3 | H20 | 78.1° | 60.0° |
| C3 | C2 | C1 | H21 | 117.9° | 120.0° |
| C3 | C2 | C1 | O1 | 87.3° | 100.0° |
| C3 | C2 | C1 | O2 | 92.8° | 80.0° |
| C2 | C3 | C4 | H17 | 41.2° | 60.0° |
| C2 | C3 | C4 | H18 | 78.2° | 60.0° |
| C2 | C3 | H19 | H20 | 118.9° | 119.9° |
| C3 | C2 | N4 | H22 | 180.0° | 60.1° |
| C3 | C2 | N4 | H23 | 60.0° | 63.9° |
| C2 | C1 | O1 | O2 | 179.9° | 180.0° |
| C1 | C2 | C3 | H19 | 55.9° | 55.0° |
| C1 | C2 | C3 | H20 | 63.4° | 65.0° |
| C1 | C2 | N4 | H22 | 58.4° | 60.0° |
| C1 | C2 | N4 | H23 | 61.6° | 176.1° |
| C2 | C1 | O2 | H25 | 179.9° | 180.0° |
| O3 | C6 | C7 | H1 | 45.2° | 140.0° |
| O3 | C6 | N1 | H14 | 156.6° | 180.0° |
| O1 | C1 | C2 | H21 | 154.8° | 140.0° |
| O1 | C1 | O2 | H25 | 0.0° | 0.0° |
| O2 | C1 | C2 | H21 | 25.1° | 40.0° |
| H1 | C7 | N3 | H2 | 65.1° | 180.0° |
| H1 | C7 | N3 | H3 | 54.9° | 56.0° |
| H1 | C7 | C8 | H5 | 102.6° | 65.0° |
| H1 | C7 | C8 | H6 | 137.8° | 175.0° |
| H5 | C8 | C9 | H7 | 73.5° | 180.0° |
| H5 | C8 | C9 | H8 | 45.2° | 60.0° |
| H6 | C8 | C9 | H7 | 46.2° | 60.0° |
| H6 | C8 | C9 | H8 | 164.9° | 180.0° |
| H7 | C9 | C10 | H9 | 102.8° | 180.0° |
| H7 | C9 | C10 | H10 | 16.0° | 60.0° |
| H8 | C9 | C10 | H9 | 138.5° | 60.0° |
| H8 | C9 | C10 | H10 | 102.7° | 180.0° |
| H9 | C10 | N2 | H11 | 59.4° | 60.0° |
| H9 | C10 | N2 | H12 | 60.5° | 176.1° |
| H10 | C10 | N2 | H11 | 59.5° | 59.9° |
| H10 | C10 | N2 | H12 | 179.4° | 64.0° |
| H14 | N1 | C5 | H15 | 118.8° | 120.0° |
| H14 | N1 | C5 | H16 | 121.2° | 120.0° |
| H15 | C5 | C4 | H17 | 37.8° | 180.0° |
| H15 | C5 | C4 | H18 | 157.2° | 60.0° |
| H16 | C5 | C4 | H17 | 157.8° | 60.0° |
| H16 | C5 | C4 | H18 | 82.8° | 180.0° |
| H17 | C4 | C3 | H19 | 79.1° | 179.9° |
| H17 | C4 | C3 | H20 | 161.6° | 60.0° |
| H18 | C4 | C3 | H19 | 161.5° | 60.0° |
| H18 | C4 | C3 | H20 | 42.2° | 180.0° |
| H19 | C3 | C2 | H21 | 62.3° | 65.0° |
| H20 | C3 | C2 | H21 | 178.5° | 175.0° |
| H21 | C2 | N4 | H22 | 60.9° | 180.0° |
| H21 | C2 | N4 | H23 | 179.1° | 56.1° |
