JH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.35Å | 1.46Å | |
| C1 | C2 | sing | 1.47Å | 1.48Å | |
| C1 | O2 | doub | 1.22Å | 1.23Å | |
| O1 | C17 | sing | 1.45Å | 1.43Å | |
| C2 | C3 | doub | 1.33Å | 1.35Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C14 | sing | 1.51Å | 1.52Å | |
| O3 | C10 | sing | 1.43Å | 1.44Å | |
| O3 | C11 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.31Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C15 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.0° | 120.0° |
| O1 | C1 | O2 | 119.7° | 120.0° |
| C1 | O1 | C17 | 119.3° | 117.0° |
| C2 | C1 | O2 | 121.3° | 120.1° |
| C1 | C2 | C3 | 124.3° | 120.0° |
| C1 | C2 | H2 | 117.9° | 120.0° |
| O1 | C17 | H17 | 109.5° | 109.5° |
| O1 | C17 | H17A | 109.5° | 109.5° |
| O1 | C17 | H17B | 109.5° | 109.5° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C2 | C3 | C14 | 121.9° | 120.0° |
| C3 | C2 | H2 | 117.8° | 120.0° |
| C4 | C3 | C14 | 119.2° | 120.0° |
| C3 | C4 | C5 | 113.5° | 109.5° |
| C3 | C4 | H4 | 108.2° | 109.5° |
| C3 | C4 | H4A | 108.1° | 109.5° |
| C3 | C14 | H14 | 109.5° | 109.5° |
| C3 | C14 | H14A | 109.5° | 109.5° |
| C3 | C14 | H14B | 109.4° | 109.5° |
| C10 | O3 | C11 | 64.0° | 64.7° |
| O3 | C10 | C9 | 111.3° | 117.8° |
| O3 | C10 | C11 | 57.8° | 57.6° |
| O3 | C10 | H10 | 137.0° | 117.8° |
| O3 | C11 | C10 | 58.2° | 57.6° |
| O3 | C11 | C12 | 115.0° | 117.8° |
| O3 | C11 | C16 | 118.0° | 117.8° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.4° |
| C5 | C4 | H4A | 108.1° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C5 | H5A | 108.8° | 109.5° |
| C5 | C6 | C7 | 121.9° | 120.0° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H5A | 108.8° | 109.4° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C6 | C7 | C8 | 121.8° | 120.0° |
| C6 | C7 | C15 | 121.4° | 120.0° |
| C7 | C6 | H6 | 119.1° | 120.0° |
| C8 | C7 | C15 | 116.8° | 120.0° |
| C7 | C8 | C9 | 113.1° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| C7 | C8 | H8A | 108.3° | 109.5° |
| C7 | C15 | H15 | 109.5° | 109.5° |
| C7 | C15 | H15A | 109.5° | 109.5° |
| C7 | C15 | H15B | 109.5° | 109.5° |
| C8 | C9 | C10 | 109.0° | 109.5° |
| C9 | C8 | H8 | 108.3° | 109.4° |
| C9 | C8 | H8A | 108.3° | 109.4° |
| C8 | C9 | H9 | 109.6° | 109.4° |
| C8 | C9 | H9A | 109.6° | 109.5° |
| C9 | C10 | C11 | 113.2° | 117.8° |
| C10 | C9 | H9 | 109.6° | 109.5° |
| C10 | C9 | H9A | 109.6° | 109.5° |
| C9 | C10 | H10 | 98.8° | 115.7° |
| C10 | C11 | C12 | 118.3° | 117.8° |
| C10 | C11 | C16 | 112.3° | 117.8° |
| C11 | C10 | H10 | 135.5° | 117.8° |
| C12 | C11 | C16 | 120.1° | 115.8° |
| C11 | C12 | C13 | 111.8° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C11 | C12 | H12A | 108.7° | 109.5° |
| C11 | C16 | H16 | 109.5° | 109.5° |
| C11 | C16 | H16A | 109.5° | 109.5° |
| C11 | C16 | H16B | 109.4° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.4° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| H4 | C4 | H4A | 110.8° | 109.5° |
| H5 | C5 | H5A | 110.2° | 109.5° |
| H8 | C8 | H8A | 110.6° | 109.5° |
| H9 | C9 | H9A | 109.3° | 109.4° |
| H12 | C12 | H12A | 110.2° | 109.4° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 178.7° | 179.7° |
| O1 | C1 | C2 | C3 | 168.4° | 172.9° |
| O1 | C1 | C2 | H2 | 11.6° | 7.2° |
| C1 | O1 | C17 | H17 | 180.0° | 179.9° |
| C1 | O1 | C17 | H17A | 60.0° | 60.0° |
| C1 | O1 | C17 | H17B | 60.0° | 60.0° |
| C2 | C1 | O1 | C17 | 171.5° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 179.4° | 172.3° |
| C1 | C2 | C3 | C14 | 0.1° | 7.7° |
| O2 | C1 | O1 | C17 | 9.7° | 0.3° |
| O2 | C1 | C2 | C3 | 12.8° | 6.8° |
| O2 | C1 | C2 | H2 | 167.1° | 173.1° |
| O1 | C17 | H17 | H17A | 120.0° | 120.0° |
| O1 | C17 | H17 | H17B | 120.0° | 120.0° |
| O1 | C17 | H17A | H17B | 120.0° | 120.0° |
| C2 | C3 | C4 | C14 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 61.7° | 95.0° |
| C2 | C3 | C4 | H4 | 178.3° | 145.1° |
| C2 | C3 | C4 | H4A | 58.3° | 25.0° |
| C2 | C3 | C14 | H14 | 180.0° | 84.2° |
| C2 | C3 | C14 | H14A | 60.0° | 155.8° |
| C2 | C3 | C14 | H14B | 60.0° | 35.8° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 57.1° | 180.0° |
| C4 | C3 | C2 | H2 | 0.5° | 7.6° |
| C3 | C4 | H4 | H4A | 118.3° | 120.0° |
| C3 | C4 | C5 | H5 | 177.1° | 60.0° |
| C3 | C4 | C5 | H5A | 62.9° | 60.0° |
| C4 | C3 | C14 | H14 | 0.6° | 95.9° |
| C4 | C3 | C14 | H14A | 120.6° | 24.1° |
| C4 | C3 | C14 | H14B | 119.4° | 144.2° |
| C14 | C3 | C4 | C5 | 118.9° | 85.0° |
| C14 | C3 | C2 | H2 | 179.9° | 172.4° |
| C14 | C3 | C4 | H4 | 1.1° | 35.0° |
| C14 | C3 | C4 | H4A | 121.1° | 155.0° |
| C3 | C14 | H14 | H14A | 120.0° | 120.0° |
| C3 | C14 | H14 | H14B | 120.0° | 120.0° |
| C3 | C14 | H14A | H14B | 120.0° | 120.0° |
| O3 | C10 | C9 | C8 | 82.0° | 116.4° |
| O3 | C10 | C9 | C11 | 63.0° | 66.0° |
| O3 | C10 | C9 | H10 | 148.8° | 147.0° |
| O3 | C10 | C11 | H10 | 126.4° | 106.8° |
| C10 | O3 | C11 | C12 | 109.0° | 106.8° |
| C10 | O3 | C11 | C16 | 100.1° | 106.8° |
| O3 | C10 | C9 | H9 | 38.0° | 3.6° |
| O3 | C10 | C9 | H9A | 158.0° | 123.6° |
| O3 | C11 | C12 | C16 | 150.3° | 147.0° |
| O3 | C11 | C12 | C13 | 79.3° | 111.4° |
| O3 | C11 | C12 | H12 | 40.7° | 8.6° |
| O3 | C11 | C12 | H12A | 160.6° | 128.6° |
| O3 | C11 | C16 | H16 | 180.0° | 111.4° |
| O3 | C11 | C16 | H16A | 60.0° | 128.6° |
| O3 | C11 | C16 | H16B | 60.0° | 8.6° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 116.1° | 120.3° |
| C5 | C4 | H4 | H4A | 118.3° | 120.0° |
| C4 | C5 | H5 | H5A | 119.1° | 120.0° |
| C4 | C5 | C6 | H6 | 63.9° | 59.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 178.9° | 174.0° |
| C5 | C6 | C7 | C15 | 0.4° | 6.0° |
| C6 | C5 | C4 | H4 | 62.9° | 60.0° |
| C6 | C5 | C4 | H4A | 177.1° | 60.0° |
| C6 | C5 | H5 | H5A | 119.1° | 120.0° |
| C6 | C7 | C8 | C15 | 178.6° | 180.0° |
| C6 | C7 | C8 | C9 | 12.8° | 95.0° |
| C7 | C6 | C5 | H5 | 123.9° | 0.3° |
| C7 | C6 | C5 | H5A | 3.9° | 119.7° |
| C6 | C7 | C8 | H8 | 132.8° | 145.0° |
| C6 | C7 | C8 | H8A | 107.2° | 25.0° |
| C6 | C7 | C15 | H15 | 180.0° | 85.2° |
| C6 | C7 | C15 | H15A | 60.0° | 154.8° |
| C6 | C7 | C15 | H15B | 60.0° | 34.9° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 162.6° | 180.0° |
| C8 | C7 | C6 | H6 | 1.1° | 5.9° |
| C7 | C8 | H8 | H8A | 118.5° | 120.0° |
| C7 | C8 | C9 | H9 | 77.4° | 60.0° |
| C7 | C8 | C9 | H9A | 42.6° | 60.0° |
| C8 | C7 | C15 | H15 | 1.4° | 94.8° |
| C8 | C7 | C15 | H15A | 121.4° | 25.2° |
| C8 | C7 | C15 | H15B | 118.6° | 145.1° |
| C15 | C7 | C8 | C9 | 168.6° | 85.0° |
| C15 | C7 | C6 | H6 | 179.7° | 174.1° |
| C15 | C7 | C8 | H8 | 48.6° | 35.0° |
| C15 | C7 | C8 | H8A | 71.4° | 155.0° |
| C7 | C15 | H15 | H15A | 120.0° | 120.0° |
| C7 | C15 | H15 | H15B | 120.0° | 120.1° |
| C7 | C15 | H15A | H15B | 120.0° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 145.0° | 177.6° |
| C9 | C8 | H8 | H8A | 118.5° | 119.9° |
| C8 | C9 | H9 | H9A | 120.2° | 120.0° |
| C8 | C9 | C10 | H10 | 66.8° | 30.6° |
| C9 | C10 | C11 | H10 | 132.2° | 146.3° |
| C9 | C10 | C11 | C12 | 1.9° | 0.0° |
| C9 | C10 | C11 | C16 | 148.5° | 146.3° |
| C10 | C9 | C8 | H8 | 42.6° | 60.0° |
| C10 | C9 | C8 | H8A | 77.4° | 60.0° |
| C10 | C9 | H9 | H9A | 120.2° | 120.0° |
| C10 | C11 | C12 | C16 | 143.9° | 147.0° |
| C10 | C11 | C12 | C13 | 145.2° | 177.4° |
| C11 | C10 | C9 | H9 | 25.0° | 62.4° |
| C11 | C10 | C9 | H9A | 95.0° | 57.6° |
| C10 | C11 | C12 | H12 | 25.1° | 57.4° |
| C10 | C11 | C12 | H12A | 94.8° | 62.6° |
| C10 | C11 | C16 | H16 | 115.3° | 177.4° |
| C10 | C11 | C16 | H16A | 4.7° | 62.6° |
| C10 | C11 | C16 | H16B | 124.7° | 57.4° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C12 | C11 | C10 | H10 | 130.3° | 146.3° |
| C11 | C12 | H12 | H12A | 119.0° | 120.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13A | 60.0° | 60.0° |
| C11 | C12 | C13 | H13B | 60.0° | 60.0° |
| C12 | C11 | C16 | H16 | 30.6° | 35.6° |
| C12 | C11 | C16 | H16A | 150.6° | 84.4° |
| C12 | C11 | C16 | H16B | 89.4° | 155.6° |
| C16 | C11 | C12 | C13 | 70.9° | 35.6° |
| C16 | C11 | C10 | H10 | 16.3° | 0.0° |
| C16 | C11 | C12 | H12 | 169.1° | 155.6° |
| C16 | C11 | C12 | H12A | 49.1° | 84.4° |
| C11 | C16 | H16 | H16A | 120.0° | 120.1° |
| C11 | C16 | H16 | H16B | 120.0° | 120.0° |
| C11 | C16 | H16A | H16B | 120.0° | 120.0° |
| C13 | C12 | H12 | H12A | 119.0° | 120.0° |
| C12 | C13 | H13 | H13A | 120.0° | 119.9° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 57.1° | 180.0° |
| H4 | C4 | C5 | H5A | 177.1° | 60.0° |
| H4A | C4 | C5 | H5 | 62.9° | 60.0° |
| H4A | C4 | C5 | H5A | 57.1° | 180.0° |
| H5 | C5 | C6 | H6 | 56.0° | 179.8° |
| H5A | C5 | C6 | H6 | 176.0° | 60.3° |
| H8 | C8 | C9 | H9 | 162.6° | 180.0° |
| H8 | C8 | C9 | H9A | 77.4° | 60.1° |
| H8A | C8 | C9 | H9 | 42.6° | 60.0° |
| H8A | C8 | C9 | H9A | 162.6° | 180.0° |
| H9 | C9 | C10 | H10 | 173.3° | 150.6° |
| H9A | C9 | C10 | H10 | 53.2° | 89.5° |
| H12 | C12 | C13 | H13 | 60.0° | 60.0° |
| H12 | C12 | C13 | H13A | 180.0° | 180.0° |
| H12 | C12 | C13 | H13B | 60.0° | 60.0° |
| H12A | C12 | C13 | H13 | 60.0° | 59.9° |
| H12A | C12 | C13 | H13A | 60.0° | 60.0° |
| H12A | C12 | C13 | H13B | 180.0° | 180.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
