HD4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | P27 | doub | 1.48Å | 1.61Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O28 | P27 | sing | 1.61Å | 1.48Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| P27 | O26 | sing | 1.61Å | 1.61Å | |
| P27 | O30 | sing | 1.61Å | 1.61Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| O7 | C7 | doub | 1.21Å | 1.22Å | |
| O26 | C25 | sing | 1.43Å | 1.43Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| O31 | C23 | sing | 1.43Å | 1.43Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| O1 | C17 | sing | 1.43Å | 1.44Å | |
| C21 | C17 | sing | 1.53Å | 1.55Å | |
| C21 | O32 | sing | 1.43Å | 1.45Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| O28 | H18 | sing | 0.97Å | 0.95Å | |
| O30 | H19 | sing | 0.97Å | 0.95Å | |
| O31 | H20 | sing | 0.97Å | 0.95Å | |
| O32 | H21 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | P27 | O28 | 110.3° | 109.5° |
| O29 | P27 | O26 | 109.1° | 109.5° |
| O29 | P27 | O30 | 110.4° | 109.5° |
| O3 | C3 | C4 | 112.1° | 109.6° |
| O3 | C3 | C2 | 107.2° | 109.5° |
| O3 | C3 | H3 | 109.1° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O28 | P27 | O26 | 105.9° | 109.5° |
| O28 | P27 | O30 | 111.1° | 109.4° |
| P27 | O28 | H18 | 109.5° | 114.0° |
| O4 | C4 | C3 | 109.1° | 109.5° |
| O4 | C4 | C5 | 107.9° | 109.6° |
| O4 | C4 | H4 | 111.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O26 | P27 | O30 | 109.9° | 109.5° |
| P27 | O26 | C25 | 123.7° | 123.0° |
| P27 | O30 | H19 | 109.5° | 114.0° |
| C3 | C4 | C5 | 109.5° | 109.2° |
| C4 | C3 | C2 | 113.0° | 109.0° |
| C4 | C3 | H3 | 107.7° | 109.6° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C4 | C5 | O5 | 108.1° | 109.4° |
| C4 | C5 | H5 | 109.1° | 109.4° |
| C5 | C4 | H4 | 109.6° | 109.6° |
| C3 | C2 | N2 | 107.4° | 109.5° |
| C3 | C2 | C1 | 109.0° | 109.2° |
| C3 | C2 | H2 | 110.3° | 109.6° |
| C2 | C3 | H3 | 107.7° | 109.6° |
| O7 | C7 | N2 | 123.2° | 120.0° |
| O7 | C7 | C8 | 118.7° | 120.0° |
| O26 | C25 | C23 | 106.7° | 109.5° |
| O26 | C25 | H16 | 110.2° | 109.5° |
| O26 | C25 | H17 | 110.2° | 109.5° |
| N2 | C2 | C1 | 108.2° | 109.5° |
| C2 | N2 | C7 | 124.9° | 120.0° |
| N2 | C2 | H2 | 111.3° | 109.5° |
| C2 | N2 | HN2 | 117.5° | 120.0° |
| C2 | C1 | O5 | 110.9° | 109.4° |
| C2 | C1 | O1 | 111.2° | 109.5° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | H2 | 110.5° | 109.5° |
| C5 | C6 | O6 | 111.1° | 109.5° |
| C6 | C5 | O5 | 107.1° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O6 | C6 | H61 | 109.1° | 109.4° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| N2 | C7 | C8 | 118.0° | 120.0° |
| C7 | N2 | HN2 | 117.5° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C5 | O5 | C1 | 114.8° | 114.1° |
| O5 | C5 | H5 | 110.8° | 109.5° |
| O5 | C1 | O1 | 106.5° | 109.4° |
| O5 | C1 | H1 | 109.8° | 109.5° |
| O31 | C23 | C25 | 108.5° | 109.5° |
| O31 | C23 | C21 | 110.8° | 109.4° |
| O31 | C23 | H15 | 109.8° | 109.5° |
| C23 | O31 | H20 | 109.5° | 114.0° |
| C25 | C23 | C21 | 110.6° | 109.5° |
| C25 | C23 | H15 | 108.6° | 109.5° |
| C23 | C25 | H16 | 110.1° | 109.4° |
| C23 | C25 | H17 | 110.1° | 109.5° |
| C1 | O1 | C17 | 116.0° | 114.0° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| C23 | C21 | C17 | 113.8° | 109.4° |
| C23 | C21 | O32 | 109.3° | 109.5° |
| C23 | C21 | H14 | 108.0° | 109.4° |
| C21 | C23 | H15 | 108.4° | 109.4° |
| O1 | C17 | C21 | 114.7° | 109.5° |
| O1 | C17 | C19 | 108.4° | 109.5° |
| O1 | C17 | H10 | 107.6° | 109.5° |
| C17 | C21 | O32 | 108.6° | 109.5° |
| C21 | C17 | C19 | 112.7° | 109.4° |
| C21 | C17 | H10 | 106.4° | 109.5° |
| C17 | C21 | H14 | 107.9° | 109.5° |
| O32 | C21 | H14 | 109.2° | 109.4° |
| C21 | O32 | H21 | 109.5° | 114.0° |
| C17 | C19 | O20 | 108.2° | 109.5° |
| C19 | C17 | H10 | 106.6° | 109.5° |
| C17 | C19 | H11 | 109.8° | 109.4° |
| C17 | C19 | H12 | 109.8° | 109.5° |
| O20 | C19 | H11 | 109.8° | 109.5° |
| O20 | C19 | H12 | 109.8° | 109.5° |
| C19 | O20 | H13 | 109.5° | 114.0° |
| H81 | C8 | H82 | 109.4° | 109.4° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | P27 | O28 | O26 | 117.9° | 120.0° |
| O29 | P27 | O28 | O30 | 122.7° | 120.0° |
| O29 | P27 | O26 | O30 | 121.2° | 120.0° |
| O29 | P27 | O26 | C25 | 165.7° | 55.0° |
| O29 | P27 | O28 | H18 | 0.0° | 180.0° |
| O29 | P27 | O30 | H19 | 0.0° | 60.1° |
| O3 | C3 | C4 | O4 | 68.9° | 63.2° |
| O3 | C3 | C4 | C2 | 121.2° | 119.8° |
| O3 | C3 | C4 | H3 | 120.0° | 120.2° |
| O3 | C3 | C4 | C5 | 173.2° | 176.9° |
| O3 | C3 | C2 | H3 | 117.3° | 120.2° |
| O3 | C3 | C2 | N2 | 69.6° | 63.2° |
| O3 | C3 | C2 | C1 | 173.4° | 176.9° |
| O3 | C3 | C2 | H2 | 51.9° | 57.0° |
| O3 | C3 | C4 | H4 | 53.0° | 56.9° |
| O28 | P27 | O26 | O30 | 120.1° | 120.0° |
| O28 | P27 | O26 | C25 | 75.6° | 65.1° |
| O28 | P27 | O30 | H19 | 122.7° | 59.9° |
| O4 | C4 | C3 | C5 | 117.9° | 119.9° |
| O4 | C4 | C3 | H4 | 121.8° | 120.1° |
| O4 | C4 | C5 | H4 | 121.2° | 120.2° |
| O4 | C4 | C3 | C2 | 170.0° | 176.9° |
| O4 | C4 | C5 | C6 | 67.1° | 62.5° |
| O4 | C4 | C5 | O5 | 174.9° | 177.5° |
| O4 | C4 | C5 | H5 | 54.4° | 57.5° |
| O4 | C4 | C3 | H3 | 51.2° | 57.0° |
| P27 | O26 | C25 | C23 | 166.1° | 180.0° |
| P27 | O26 | C25 | H16 | 46.6° | 60.0° |
| P27 | O26 | C25 | H17 | 74.3° | 60.0° |
| O26 | P27 | O28 | H18 | 117.9° | 59.9° |
| O26 | P27 | O30 | H19 | 120.4° | 179.9° |
| O30 | P27 | O26 | C25 | 44.6° | 175.0° |
| O30 | P27 | O28 | H18 | 122.7° | 60.0° |
| C3 | C4 | C5 | H4 | 120.2° | 119.9° |
| C4 | C3 | C2 | H3 | 118.8° | 119.9° |
| C4 | C3 | C2 | N2 | 166.5° | 176.9° |
| C4 | C3 | C2 | C1 | 49.5° | 57.0° |
| C3 | C4 | C5 | C6 | 174.3° | 177.6° |
| C3 | C4 | C5 | O5 | 56.2° | 57.6° |
| C4 | C3 | C2 | H2 | 72.0° | 62.9° |
| C3 | C4 | C5 | H5 | 64.3° | 62.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.4° |
| C5 | C4 | C3 | C2 | 52.1° | 57.0° |
| C4 | C5 | C6 | O5 | 118.7° | 120.0° |
| C4 | C5 | C6 | H5 | 121.3° | 120.0° |
| C4 | C5 | C6 | O6 | 165.9° | 175.0° |
| C4 | C5 | O5 | H5 | 119.4° | 120.0° |
| C4 | C5 | O5 | C1 | 64.0° | 61.1° |
| C5 | C4 | C3 | H3 | 66.7° | 62.9° |
| C4 | C5 | C6 | H61 | 73.8° | 55.0° |
| C4 | C5 | C6 | H62 | 45.6° | 65.0° |
| C5 | C4 | O4 | HO4 | 61.1° | 60.3° |
| C3 | C2 | N2 | C1 | 117.6° | 119.6° |
| C3 | C2 | N2 | H2 | 120.8° | 120.2° |
| C3 | C2 | C1 | H2 | 121.4° | 120.0° |
| C3 | C2 | N2 | C7 | 134.6° | 155.4° |
| C3 | C2 | C1 | O5 | 52.2° | 57.7° |
| C3 | C2 | C1 | O1 | 170.6° | 177.6° |
| C3 | C2 | C1 | H1 | 68.5° | 62.3° |
| C2 | C3 | C4 | H4 | 68.2° | 62.9° |
| C3 | C2 | N2 | HN2 | 45.4° | 24.7° |
| C2 | C3 | O3 | HO3 | 55.5° | 179.9° |
| O7 | C7 | N2 | C2 | 0.2° | 0.0° |
| O7 | C7 | N2 | C8 | 178.4° | 180.0° |
| O7 | C7 | C8 | H81 | 0.0° | 120.0° |
| O7 | C7 | C8 | H82 | 120.0° | 0.0° |
| O7 | C7 | C8 | H83 | 120.0° | 120.0° |
| O7 | C7 | N2 | HN2 | 179.8° | 180.0° |
| O26 | C25 | C23 | O31 | 58.3° | 65.0° |
| O26 | C25 | C23 | H16 | 119.6° | 120.0° |
| O26 | C25 | C23 | H17 | 119.6° | 120.1° |
| O26 | C25 | C23 | C21 | 180.0° | 175.0° |
| O26 | C25 | C23 | H15 | 61.1° | 55.1° |
| O26 | C25 | H16 | H17 | 121.3° | 120.1° |
| N2 | C2 | C1 | H2 | 122.1° | 120.1° |
| C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C2 | N2 | C7 | C8 | 178.2° | 180.0° |
| N2 | C2 | C1 | O5 | 168.7° | 177.5° |
| N2 | C2 | C1 | O1 | 72.9° | 62.6° |
| N2 | C2 | C1 | H1 | 48.1° | 57.5° |
| N2 | C2 | C3 | H3 | 47.7° | 57.0° |
| C1 | C2 | N2 | C7 | 107.9° | 85.0° |
| C2 | C1 | O5 | C5 | 63.0° | 61.1° |
| C2 | C1 | O5 | O1 | 121.2° | 120.0° |
| C2 | C1 | O5 | H1 | 120.0° | 120.1° |
| C2 | C1 | O1 | H1 | 120.3° | 120.1° |
| C2 | C1 | O1 | C17 | 162.4° | 175.0° |
| C1 | C2 | C3 | H3 | 69.3° | 62.9° |
| C1 | C2 | N2 | HN2 | 72.1° | 95.0° |
| C5 | C6 | O6 | H61 | 120.3° | 120.0° |
| C5 | C6 | O6 | H62 | 120.3° | 120.1° |
| C6 | C5 | O5 | H5 | 119.0° | 120.0° |
| C6 | C5 | O5 | C1 | 174.5° | 178.9° |
| C6 | C5 | C4 | H4 | 54.1° | 57.7° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | O5 | 47.2° | 65.0° |
| O6 | C6 | C5 | H5 | 72.8° | 55.0° |
| O6 | C6 | H61 | H62 | 119.2° | 119.9° |
| C7 | N2 | C2 | H2 | 13.8° | 35.1° |
| N2 | C7 | C8 | H81 | 178.5° | 60.1° |
| N2 | C7 | C8 | H82 | 61.5° | 180.0° |
| N2 | C7 | C8 | H83 | 58.5° | 60.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.1° |
| C7 | C8 | H82 | H83 | 120.0° | 120.1° |
| C8 | C7 | N2 | HN2 | 1.8° | 0.1° |
| C5 | O5 | C1 | O1 | 175.8° | 178.9° |
| C5 | O5 | C1 | H1 | 57.0° | 58.9° |
| O5 | C5 | C4 | H4 | 64.0° | 62.3° |
| O5 | C5 | C6 | H61 | 167.5° | 175.0° |
| O5 | C5 | C6 | H62 | 73.0° | 55.0° |
| O5 | C1 | O1 | H1 | 118.8° | 120.0° |
| O5 | C1 | O1 | C17 | 76.7° | 65.1° |
| O5 | C1 | C2 | H2 | 69.1° | 62.4° |
| C1 | O5 | C5 | H5 | 55.4° | 58.8° |
| O31 | C23 | C25 | C21 | 121.8° | 120.0° |
| O31 | C23 | C25 | H15 | 119.4° | 120.1° |
| O31 | C23 | C21 | H15 | 120.6° | 120.0° |
| O31 | C23 | C21 | C17 | 61.6° | 60.0° |
| O31 | C23 | C21 | O32 | 176.8° | 180.0° |
| O31 | C23 | C21 | H14 | 58.1° | 60.1° |
| O31 | C23 | C25 | H16 | 177.9° | 55.0° |
| O31 | C23 | C25 | H17 | 61.3° | 174.9° |
| C25 | C23 | C21 | H15 | 119.0° | 119.9° |
| C25 | C23 | C21 | C17 | 178.0° | 180.0° |
| C25 | C23 | C21 | O32 | 56.4° | 60.0° |
| C25 | C23 | C21 | H14 | 62.3° | 60.0° |
| C23 | C25 | H16 | H17 | 121.2° | 120.0° |
| C25 | C23 | O31 | H20 | 180.0° | 59.9° |
| C1 | O1 | C17 | C21 | 89.2° | 150.1° |
| C1 | O1 | C17 | C19 | 143.8° | 90.0° |
| O1 | C1 | C2 | H2 | 49.2° | 57.6° |
| C1 | O1 | C17 | H10 | 28.9° | 30.0° |
| C23 | C21 | C17 | O1 | 32.8° | 60.0° |
| C23 | C21 | C17 | O32 | 122.0° | 120.0° |
| C23 | C21 | C17 | H14 | 119.8° | 120.0° |
| C23 | C21 | O32 | H14 | 117.9° | 119.9° |
| C23 | C21 | C17 | C19 | 91.9° | 180.0° |
| C23 | C21 | C17 | H10 | 151.6° | 60.0° |
| C21 | C23 | C25 | H16 | 60.4° | 65.0° |
| C21 | C23 | C25 | H17 | 60.4° | 54.9° |
| C21 | C23 | O31 | H20 | 58.3° | 60.1° |
| C23 | C21 | O32 | H21 | 180.0° | 60.0° |
| O1 | C17 | C21 | C19 | 124.7° | 120.0° |
| O1 | C17 | C21 | H10 | 118.9° | 120.0° |
| O1 | C17 | C21 | O32 | 89.3° | 180.0° |
| O1 | C17 | C19 | H10 | 115.6° | 120.0° |
| O1 | C17 | C19 | O20 | 57.6° | 65.0° |
| C17 | O1 | C1 | H1 | 42.1° | 55.0° |
| O1 | C17 | C19 | H11 | 177.4° | 55.0° |
| O1 | C17 | C19 | H12 | 62.2° | 175.0° |
| O1 | C17 | C21 | H14 | 152.5° | 60.0° |
| C17 | C21 | O32 | H14 | 117.4° | 120.1° |
| C21 | C17 | C19 | H10 | 116.3° | 120.0° |
| C21 | C17 | C19 | O20 | 174.3° | 55.0° |
| C21 | C17 | C19 | H11 | 54.5° | 175.0° |
| C21 | C17 | C19 | H12 | 65.9° | 65.0° |
| C17 | C21 | C23 | H15 | 59.0° | 60.0° |
| C17 | C21 | O32 | H21 | 55.3° | 59.9° |
| O32 | C21 | C17 | C19 | 146.1° | 60.0° |
| O32 | C21 | C17 | H10 | 29.6° | 60.0° |
| O32 | C21 | C23 | H15 | 62.6° | 60.0° |
| C17 | C19 | O20 | H11 | 119.8° | 119.9° |
| C17 | C19 | O20 | H12 | 119.8° | 120.0° |
| C17 | C19 | H11 | H12 | 120.6° | 120.0° |
| C17 | C19 | O20 | H13 | 180.0° | 180.0° |
| C19 | C17 | C21 | H14 | 27.9° | 60.0° |
| O20 | C19 | C17 | H10 | 58.0° | 175.0° |
| O20 | C19 | H11 | H12 | 120.6° | 120.1° |
| H1 | C1 | C2 | H2 | 170.2° | 177.6° |
| H2 | C2 | C3 | H3 | 169.2° | 177.1° |
| H2 | C2 | N2 | HN2 | 166.2° | 144.9° |
| H5 | C5 | C4 | H4 | 175.5° | 177.7° |
| H5 | C5 | C6 | H61 | 47.5° | 64.9° |
| H5 | C5 | C6 | H62 | 167.0° | 175.1° |
| H3 | C3 | C4 | H4 | 173.0° | 177.1° |
| H3 | C3 | O3 | HO3 | 60.8° | 59.9° |
| H4 | C4 | O4 | HO4 | 59.1° | 59.9° |
| H81 | C8 | H82 | H83 | 120.0° | 119.9° |
| H10 | C17 | C19 | H11 | 61.8° | 65.0° |
| H10 | C17 | C19 | H12 | 177.8° | 55.0° |
| H10 | C17 | C21 | H14 | 88.6° | 180.0° |
| H11 | C19 | O20 | H13 | 60.2° | 60.1° |
| H12 | C19 | O20 | H13 | 60.2° | 60.0° |
| H14 | C21 | C23 | H15 | 178.7° | 179.9° |
| H14 | C21 | O32 | H21 | 62.1° | 180.0° |
| H15 | C23 | C25 | H16 | 58.5° | 175.1° |
| H15 | C23 | C25 | H17 | 179.3° | 65.0° |
| H15 | C23 | O31 | H20 | 61.5° | 180.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 59.9° |
