HNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C1 | sing | 1.44Å | 1.41Å | |
| H1 | C1 | sing | 1.09Å | 1.10Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.55Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| O4 | C4 | sing | 1.44Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| H25 | C5 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| H26 | C6 | sing | 1.09Å | 1.10Å | |
| H16 | C6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| H27 | C7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| H18 | C8 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| H39 | C9 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| HO1 | O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C1 | H1 | 116.7° | 109.9° |
| O4 | C1 | O1 | 99.9° | 109.9° |
| O4 | C1 | C2 | 108.7° | 107.3° |
| C1 | O4 | C4 | 107.7° | 107.0° |
| H1 | C1 | O1 | 114.1° | 110.0° |
| H1 | C1 | C2 | 106.0° | 109.9° |
| O1 | C1 | C2 | 111.6° | 109.9° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 102.3° | 104.2° |
| C1 | C2 | H22 | 112.0° | 110.5° |
| C1 | C2 | H12 | 113.4° | 110.5° |
| C3 | C2 | H22 | 112.0° | 110.5° |
| C3 | C2 | H12 | 113.4° | 110.6° |
| C2 | C3 | C4 | 99.3° | 102.1° |
| C2 | C3 | H3 | 113.0° | 110.9° |
| C2 | C3 | H3A | 115.1° | 110.9° |
| H22 | C2 | H12 | 104.1° | 110.5° |
| C4 | C3 | H3 | 113.0° | 110.9° |
| C4 | C3 | H3A | 115.1° | 111.0° |
| C3 | C4 | C5 | 116.6° | 110.6° |
| C3 | C4 | O4 | 105.3° | 103.5° |
| C3 | C4 | H4 | 108.5° | 110.6° |
| H3 | C3 | H3A | 101.9° | 110.8° |
| C5 | C4 | O4 | 112.1° | 110.7° |
| C5 | C4 | H4 | 101.2° | 110.6° |
| C4 | C5 | C6 | 114.4° | 109.5° |
| C4 | C5 | H25 | 107.9° | 109.5° |
| C4 | C5 | H15 | 106.7° | 109.4° |
| O4 | C4 | H4 | 113.3° | 110.6° |
| C6 | C5 | H25 | 107.8° | 109.5° |
| C6 | C5 | H15 | 106.7° | 109.5° |
| C5 | C6 | H26 | 107.6° | 109.5° |
| C5 | C6 | H16 | 106.3° | 109.5° |
| C5 | C6 | C7 | 115.2° | 109.4° |
| H25 | C5 | H15 | 113.5° | 109.5° |
| H26 | C6 | H16 | 114.1° | 109.5° |
| H26 | C6 | C7 | 107.6° | 109.5° |
| H16 | C6 | C7 | 106.3° | 109.5° |
| C6 | C7 | H27 | 108.3° | 109.5° |
| C6 | C7 | C8 | 113.1° | 109.4° |
| C6 | C7 | H17 | 107.5° | 109.5° |
| H27 | C7 | C8 | 108.3° | 109.5° |
| H27 | C7 | H17 | 112.3° | 109.5° |
| C8 | C7 | H17 | 107.5° | 109.5° |
| C7 | C8 | H18 | 109.0° | 109.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C7 | C8 | H28 | 108.8° | 109.5° |
| H18 | C8 | C9 | 109.1° | 109.4° |
| H18 | C8 | H28 | 110.5° | 109.5° |
| C9 | C8 | H28 | 108.8° | 109.5° |
| C8 | C9 | H39 | 109.5° | 109.5° |
| C8 | C9 | H19 | 109.4° | 109.5° |
| C8 | C9 | H29 | 109.4° | 109.5° |
| H39 | C9 | H19 | 109.5° | 109.5° |
| H39 | C9 | H29 | 109.5° | 109.4° |
| H19 | C9 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C1 | H1 | O1 | 115.7° | 121.1° |
| O4 | C1 | H1 | C2 | 121.1° | 117.8° |
| O4 | C1 | O1 | C2 | 114.7° | 117.8° |
| O4 | C1 | C2 | C3 | 21.7° | 2.0° |
| O4 | C1 | C2 | H22 | 98.3° | 116.6° |
| O4 | C1 | C2 | H12 | 144.3° | 120.8° |
| C1 | O4 | C4 | C3 | 28.1° | 40.1° |
| C1 | O4 | C4 | C5 | 155.8° | 158.6° |
| C1 | O4 | C4 | H4 | 90.4° | 78.4° |
| O4 | C1 | O1 | HO1 | 45.4° | 62.1° |
| H1 | C1 | O1 | C2 | 120.0° | 121.1° |
| H1 | C1 | C2 | C3 | 104.5° | 121.5° |
| H1 | C1 | C2 | H22 | 135.5° | 2.8° |
| H1 | C1 | C2 | H12 | 18.1° | 119.8° |
| H1 | C1 | O4 | C4 | 123.8° | 145.9° |
| H1 | C1 | O1 | HO1 | 79.9° | 59.0° |
| O1 | C1 | C2 | C3 | 130.8° | 117.4° |
| O1 | C1 | C2 | H22 | 10.8° | 123.9° |
| O1 | C1 | C2 | H12 | 106.6° | 1.4° |
| O1 | C1 | O4 | C4 | 112.8° | 92.9° |
| C1 | C2 | C3 | H22 | 120.0° | 118.7° |
| C1 | C2 | C3 | H12 | 122.6° | 118.7° |
| C1 | C2 | H22 | H12 | 122.9° | 122.5° |
| C1 | C2 | C3 | C4 | 35.9° | 20.9° |
| C1 | C2 | C3 | H3 | 155.9° | 139.0° |
| C1 | C2 | C3 | H3A | 87.5° | 97.4° |
| C2 | C1 | O4 | C4 | 4.1° | 26.5° |
| C2 | C1 | O1 | HO1 | 160.1° | 180.0° |
| C3 | C2 | H22 | H12 | 122.9° | 122.7° |
| C2 | C3 | C4 | H3 | 120.0° | 118.1° |
| C2 | C3 | C4 | H3A | 123.5° | 118.2° |
| C2 | C3 | H3 | H3A | 124.1° | 123.6° |
| C2 | C3 | C4 | C5 | 165.2° | 155.7° |
| C2 | C3 | C4 | O4 | 40.2° | 37.0° |
| C2 | C3 | C4 | H4 | 81.4° | 81.4° |
| H22 | C2 | C3 | C4 | 84.1° | 139.5° |
| H22 | C2 | C3 | H3 | 35.9° | 102.3° |
| H22 | C2 | C3 | H3A | 152.5° | 21.3° |
| H12 | C2 | C3 | C4 | 158.5° | 97.8° |
| H12 | C2 | C3 | H3 | 81.5° | 20.3° |
| H12 | C2 | C3 | H3A | 35.1° | 143.9° |
| C4 | C3 | H3 | H3A | 124.1° | 123.7° |
| C3 | C4 | C5 | O4 | 121.5° | 114.1° |
| C3 | C4 | C5 | H4 | 117.5° | 122.9° |
| C3 | C4 | O4 | H4 | 118.4° | 118.5° |
| C3 | C4 | C5 | C6 | 172.9° | 175.0° |
| C3 | C4 | C5 | H25 | 52.9° | 65.0° |
| C3 | C4 | C5 | H15 | 69.3° | 55.0° |
| H3 | C3 | C4 | C5 | 74.7° | 86.2° |
| H3 | C3 | C4 | O4 | 160.3° | 155.2° |
| H3 | C3 | C4 | H4 | 38.6° | 36.7° |
| H3A | C3 | C4 | C5 | 41.8° | 37.5° |
| H3A | C3 | C4 | O4 | 83.2° | 81.2° |
| H3A | C3 | C4 | H4 | 155.1° | 160.4° |
| C5 | C4 | O4 | H4 | 113.8° | 122.9° |
| C4 | C5 | C6 | H25 | 120.0° | 120.0° |
| C4 | C5 | C6 | H15 | 117.8° | 120.0° |
| C4 | C5 | H25 | H15 | 118.0° | 120.0° |
| C4 | C5 | C6 | H26 | 158.6° | 60.0° |
| C4 | C5 | C6 | H16 | 36.0° | 60.0° |
| C4 | C5 | C6 | C7 | 81.4° | 180.0° |
| O4 | C4 | C5 | C6 | 65.7° | 70.9° |
| O4 | C4 | C5 | H25 | 174.4° | 49.1° |
| O4 | C4 | C5 | H15 | 52.1° | 169.1° |
| H4 | C4 | C5 | C6 | 55.4° | 52.1° |
| H4 | C4 | C5 | H25 | 64.5° | 172.1° |
| H4 | C4 | C5 | H15 | 173.2° | 67.9° |
| C6 | C5 | H25 | H15 | 117.9° | 120.0° |
| C5 | C6 | H26 | H16 | 117.7° | 120.0° |
| C5 | C6 | H26 | C7 | 124.7° | 120.0° |
| C5 | C6 | H16 | C7 | 123.2° | 120.0° |
| C5 | C6 | C7 | H27 | 167.3° | 60.0° |
| C5 | C6 | C7 | C8 | 72.7° | 180.0° |
| C5 | C6 | C7 | H17 | 45.8° | 60.0° |
| H25 | C5 | C6 | H26 | 81.4° | 180.0° |
| H25 | C5 | C6 | H16 | 156.0° | 60.0° |
| H25 | C5 | C6 | C7 | 38.6° | 60.0° |
| H15 | C5 | C6 | H26 | 40.8° | 60.0° |
| H15 | C5 | C6 | H16 | 81.8° | 180.0° |
| H15 | C5 | C6 | C7 | 160.8° | 60.0° |
| H26 | C6 | H16 | C7 | 118.4° | 120.0° |
| H26 | C6 | C7 | H27 | 72.7° | 180.0° |
| H26 | C6 | C7 | C8 | 47.3° | 60.0° |
| H26 | C6 | C7 | H17 | 165.7° | 60.0° |
| H16 | C6 | C7 | H27 | 49.9° | 60.0° |
| H16 | C6 | C7 | C8 | 169.9° | 60.0° |
| H16 | C6 | C7 | H17 | 71.7° | 180.0° |
| C6 | C7 | H27 | C8 | 122.9° | 120.0° |
| C6 | C7 | H27 | H17 | 118.5° | 120.0° |
| C6 | C7 | C8 | H17 | 118.4° | 120.0° |
| C6 | C7 | C8 | H18 | 65.1° | 60.0° |
| C6 | C7 | C8 | C9 | 174.9° | 180.0° |
| C6 | C7 | C8 | H28 | 55.4° | 60.0° |
| H27 | C7 | C8 | H17 | 121.6° | 120.0° |
| H27 | C7 | C8 | H18 | 174.9° | 60.0° |
| H27 | C7 | C8 | C9 | 54.9° | 60.0° |
| H27 | C7 | C8 | H28 | 64.6° | 180.0° |
| C7 | C8 | H18 | C9 | 121.0° | 120.0° |
| C7 | C8 | H18 | H28 | 119.5° | 120.0° |
| C7 | C8 | C9 | H28 | 119.5° | 120.0° |
| C7 | C8 | C9 | H39 | 93.1° | 60.0° |
| C7 | C8 | C9 | H19 | 146.9° | 180.0° |
| C7 | C8 | C9 | H29 | 26.9° | 60.0° |
| H17 | C7 | C8 | H18 | 53.3° | 180.0° |
| H17 | C7 | C8 | C9 | 66.7° | 60.0° |
| H17 | C7 | C8 | H28 | 173.9° | 60.0° |
| H18 | C8 | C9 | H28 | 120.5° | 120.0° |
| H18 | C8 | C9 | H39 | 26.9° | 60.0° |
| H18 | C8 | C9 | H19 | 93.2° | 60.0° |
| H18 | C8 | C9 | H29 | 146.9° | 180.0° |
| C8 | C9 | H39 | H19 | 120.0° | 120.0° |
| C8 | C9 | H39 | H29 | 120.0° | 120.0° |
| C8 | C9 | H19 | H29 | 119.9° | 120.0° |
| H28 | C8 | C9 | H39 | 147.4° | 180.0° |
| H28 | C8 | C9 | H19 | 27.4° | 60.0° |
| H28 | C8 | C9 | H29 | 92.6° | 60.0° |
| H39 | C9 | H19 | H29 | 120.0° | 120.0° |
