HUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.30Å | 1.33Å | |
| C8 | C9 | sing | 1.50Å | 1.52Å | |
| C7 | C6 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C12 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | N1 | sing | 1.32Å | 1.39Å | Aromatic |
| C4 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| N1 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C15 | sing | 1.42Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.72Å | |
| C1 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.41Å | 1.45Å | Aromatic |
| C14 | N2 | sing | 1.39Å | 1.37Å | |
| C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C11 | sing | 1.50Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C9 | sing | 1.53Å | 1.55Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C10 | C18 | 110.5° | 109.4° |
| C10 | O1 | H1 | 109.5° | 114.0° |
| O1 | C10 | H101 | 109.2° | 109.4° |
| O1 | C10 | H102 | 109.2° | 109.5° |
| C10 | C18 | C8 | 109.8° | 109.5° |
| C18 | C10 | H101 | 109.2° | 109.5° |
| C18 | C10 | H102 | 109.2° | 109.5° |
| C10 | C18 | H181 | 109.4° | 109.5° |
| C10 | C18 | H182 | 109.4° | 109.5° |
| C18 | C8 | C7 | 121.2° | 118.1° |
| C18 | C8 | C9 | 116.3° | 118.2° |
| C8 | C18 | H181 | 109.4° | 109.4° |
| C8 | C18 | H182 | 109.4° | 109.5° |
| C7 | C8 | C9 | 122.5° | 123.7° |
| C8 | C7 | C6 | 123.4° | 124.2° |
| C8 | C7 | H7 | 118.3° | 117.9° |
| C8 | C9 | C11 | 111.7° | 109.7° |
| C8 | C9 | H91C | 108.9° | 109.4° |
| C8 | C9 | H92C | 108.9° | 109.5° |
| C7 | C6 | C5 | 109.1° | 109.9° |
| C7 | C6 | C12 | 111.5° | 110.4° |
| C6 | C7 | H7 | 118.3° | 117.9° |
| C7 | C6 | H6 | 110.2° | 109.4° |
| C5 | C6 | C12 | 105.9° | 108.2° |
| C6 | C5 | C4 | 111.0° | 110.3° |
| C5 | C6 | H6 | 110.1° | 109.4° |
| C6 | C5 | H51C | 109.1° | 109.3° |
| C6 | C5 | H52C | 109.1° | 109.2° |
| C6 | C12 | C11 | 108.9° | 107.7° |
| C12 | C6 | H6 | 110.0° | 109.5° |
| C6 | C12 | H121 | 109.6° | 109.9° |
| C6 | C12 | H122 | 109.6° | 109.8° |
| C5 | C4 | N1 | 114.2° | 117.0° |
| C5 | C4 | C13 | 123.9° | 122.0° |
| C4 | C5 | H51C | 109.1° | 109.3° |
| C4 | C5 | H52C | 109.1° | 109.3° |
| N1 | C4 | C13 | 122.0° | 121.0° |
| C4 | N1 | C3 | 121.5° | 122.5° |
| C4 | C13 | C14 | 117.4° | 119.7° |
| C4 | C13 | C11 | 121.1° | 122.8° |
| N1 | C3 | C2 | 117.8° | 121.2° |
| N1 | C3 | C15 | 120.2° | 119.7° |
| C2 | C3 | C15 | 121.9° | 119.0° |
| C3 | C2 | C1 | 119.3° | 119.8° |
| C3 | C2 | H2 | 120.3° | 120.1° |
| C3 | C15 | C16 | 118.3° | 119.7° |
| C3 | C15 | C14 | 116.4° | 118.6° |
| C2 | C1 | CL1 | 118.6° | 119.5° |
| C2 | C1 | C17 | 120.3° | 121.0° |
| C1 | C2 | H2 | 120.4° | 120.1° |
| CL1 | C1 | C17 | 121.1° | 119.5° |
| C1 | C17 | C16 | 120.3° | 120.8° |
| C1 | C17 | H17 | 119.9° | 119.6° |
| C17 | C16 | C15 | 119.9° | 119.7° |
| C16 | C17 | H17 | 119.8° | 119.6° |
| C17 | C16 | H16 | 120.0° | 120.2° |
| C16 | C15 | C14 | 125.3° | 121.7° |
| C15 | C16 | H16 | 120.0° | 120.2° |
| C15 | C14 | N2 | 116.7° | 120.8° |
| C15 | C14 | C13 | 122.6° | 118.4° |
| N2 | C14 | C13 | 120.7° | 120.8° |
| C14 | N2 | H21N | 109.5° | 120.0° |
| C14 | N2 | H22N | 109.5° | 120.0° |
| C14 | C13 | C11 | 121.5° | 117.5° |
| C13 | C11 | C12 | 111.2° | 110.6° |
| C13 | C11 | C9 | 107.4° | 109.3° |
| C13 | C11 | H11 | 110.3° | 109.5° |
| C12 | C11 | C9 | 107.9° | 108.4° |
| C11 | C12 | H121 | 109.7° | 109.8° |
| C11 | C12 | H122 | 109.6° | 109.9° |
| C12 | C11 | H11 | 110.0° | 109.5° |
| C11 | C9 | H91C | 108.9° | 109.4° |
| C11 | C9 | H92C | 108.9° | 109.4° |
| C9 | C11 | H11 | 110.0° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.8° |
| H21N | N2 | H22N | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C10 | C18 | H101 | 120.2° | 119.9° |
| O1 | C10 | C18 | H102 | 120.1° | 120.0° |
| O1 | C10 | C18 | C8 | 68.6° | 179.9° |
| O1 | C10 | H101 | H102 | 119.5° | 120.0° |
| O1 | C10 | C18 | H181 | 51.4° | 59.9° |
| O1 | C10 | C18 | H182 | 171.4° | 60.0° |
| C10 | C18 | C8 | H181 | 120.0° | 120.0° |
| C10 | C18 | C8 | H182 | 120.0° | 120.0° |
| C10 | C18 | C8 | C7 | 12.6° | 95.0° |
| C10 | C18 | C8 | C9 | 167.2° | 85.0° |
| C18 | C10 | O1 | H1 | 180.0° | 180.0° |
| C18 | C10 | H101 | H102 | 119.5° | 120.0° |
| C10 | C18 | H181 | H182 | 119.9° | 120.0° |
| C18 | C8 | C7 | C9 | 179.8° | 180.0° |
| C18 | C8 | C7 | C6 | 179.7° | 179.8° |
| C18 | C8 | C9 | C11 | 162.2° | 162.1° |
| C8 | C18 | C10 | H101 | 171.2° | 60.0° |
| C8 | C18 | C10 | H102 | 51.5° | 60.1° |
| C8 | C18 | H181 | H182 | 119.9° | 120.0° |
| C18 | C8 | C7 | H7 | 0.2° | 0.3° |
| C18 | C8 | C9 | H91C | 77.4° | 77.9° |
| C18 | C8 | C9 | H92C | 41.9° | 42.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 101.0° | 102.9° |
| C8 | C7 | C6 | C12 | 15.6° | 16.5° |
| C7 | C8 | C9 | C11 | 17.9° | 17.9° |
| C7 | C8 | C18 | H181 | 132.6° | 145.0° |
| C7 | C8 | C18 | H182 | 107.4° | 25.0° |
| C7 | C8 | C9 | H91C | 102.4° | 102.1° |
| C7 | C8 | C9 | H92C | 138.3° | 137.9° |
| C8 | C7 | C6 | H6 | 138.0° | 137.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.2° |
| C8 | C9 | C11 | C13 | 69.6° | 69.6° |
| C8 | C9 | C11 | C12 | 50.3° | 51.1° |
| C8 | C9 | C11 | H91C | 120.3° | 120.0° |
| C8 | C9 | C11 | H92C | 120.4° | 120.1° |
| C9 | C8 | C18 | H181 | 47.2° | 35.0° |
| C9 | C8 | C18 | H182 | 72.7° | 155.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.7° |
| C8 | C9 | H91C | H92C | 119.0° | 119.9° |
| C8 | C9 | C11 | H11 | 170.3° | 170.5° |
| C7 | C6 | C5 | C12 | 120.1° | 120.7° |
| C7 | C6 | C5 | H6 | 121.1° | 120.1° |
| C7 | C6 | C12 | H6 | 122.5° | 120.5° |
| C7 | C6 | C5 | C4 | 67.3° | 68.1° |
| C7 | C6 | C12 | C11 | 48.4° | 49.3° |
| C7 | C6 | C5 | H51C | 52.9° | 171.7° |
| C7 | C6 | C5 | H52C | 172.4° | 52.1° |
| C7 | C6 | C12 | H121 | 168.4° | 168.8° |
| C7 | C6 | C12 | H122 | 71.5° | 70.3° |
| C5 | C6 | C12 | H6 | 118.9° | 119.2° |
| C6 | C5 | C4 | H51C | 120.2° | 120.2° |
| C6 | C5 | C4 | H52C | 120.2° | 120.1° |
| C6 | C5 | C4 | N1 | 160.0° | 161.9° |
| C6 | C5 | C4 | C13 | 19.9° | 18.4° |
| C5 | C6 | C12 | C11 | 70.1° | 71.1° |
| C5 | C6 | C7 | H7 | 79.0° | 77.2° |
| C6 | C5 | H51C | H52C | 119.3° | 119.5° |
| C5 | C6 | C12 | H121 | 49.8° | 48.4° |
| C5 | C6 | C12 | H122 | 170.0° | 169.3° |
| C12 | C6 | C5 | C4 | 52.8° | 52.6° |
| C6 | C12 | C11 | C13 | 50.9° | 51.4° |
| C6 | C12 | C11 | H121 | 119.9° | 119.6° |
| C6 | C12 | C11 | H122 | 119.9° | 119.6° |
| C6 | C12 | C11 | C9 | 66.6° | 68.5° |
| C12 | C6 | C7 | H7 | 164.4° | 163.5° |
| C12 | C6 | C5 | H51C | 173.0° | 67.6° |
| C12 | C6 | C5 | H52C | 67.5° | 172.7° |
| C6 | C12 | H121 | H122 | 120.3° | 120.9° |
| C6 | C12 | C11 | H11 | 173.4° | 172.2° |
| C5 | C4 | N1 | C13 | 179.9° | 179.7° |
| C5 | C4 | N1 | C3 | 179.4° | 179.5° |
| C5 | C4 | C13 | C14 | 179.3° | 179.5° |
| C5 | C4 | C13 | C11 | 0.4° | 0.6° |
| C4 | C5 | C6 | H6 | 171.6° | 171.8° |
| C4 | C5 | H51C | H52C | 119.3° | 119.7° |
| C4 | N1 | C3 | C2 | 180.0° | 179.8° |
| C4 | N1 | C3 | C15 | 0.3° | 0.1° |
| N1 | C4 | C13 | C14 | 0.5° | 0.2° |
| N1 | C4 | C13 | C11 | 179.4° | 179.7° |
| N1 | C4 | C5 | H51C | 39.7° | 77.8° |
| N1 | C4 | C5 | H52C | 79.8° | 41.9° |
| C13 | C4 | N1 | C3 | 0.5° | 0.2° |
| C4 | C13 | C14 | C15 | 0.4° | 0.0° |
| C4 | C13 | C14 | N2 | 179.9° | 180.0° |
| C4 | C13 | C14 | C11 | 178.9° | 179.9° |
| C4 | C13 | C11 | C12 | 16.1° | 17.6° |
| C4 | C13 | C11 | C9 | 101.7° | 101.7° |
| C13 | C4 | C5 | H51C | 140.1° | 101.9° |
| C13 | C4 | C5 | H52C | 100.4° | 138.4° |
| C4 | C13 | C11 | H11 | 138.4° | 138.4° |
| N1 | C3 | C2 | C15 | 179.8° | 179.9° |
| N1 | C3 | C2 | C1 | 179.7° | 179.9° |
| N1 | C3 | C15 | C16 | 179.6° | 179.8° |
| N1 | C3 | C15 | C14 | 0.2° | 0.0° |
| N1 | C3 | C2 | H2 | 0.3° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | CL1 | 179.6° | 180.0° |
| C3 | C2 | C1 | C17 | 0.0° | 0.3° |
| C2 | C3 | C15 | C16 | 0.2° | 0.3° |
| C2 | C3 | C15 | C14 | 179.9° | 180.0° |
| C15 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C15 | C16 | C17 | 0.2° | 0.3° |
| C3 | C15 | C16 | C14 | 179.7° | 179.7° |
| C3 | C15 | C14 | N2 | 179.9° | 179.9° |
| C3 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C15 | C16 | H16 | 179.8° | 179.7° |
| C2 | C1 | CL1 | C17 | 179.6° | 179.7° |
| C2 | C1 | C17 | C16 | 0.0° | 0.3° |
| C2 | C1 | C17 | H17 | 179.9° | 179.7° |
| CL1 | C1 | C17 | C16 | 179.6° | 180.0° |
| CL1 | C1 | C2 | H2 | 0.4° | 0.0° |
| CL1 | C1 | C17 | H17 | 0.5° | 0.0° |
| C1 | C17 | C16 | H17 | 180.0° | 180.0° |
| C1 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 179.9° | 179.9° |
| C16 | C15 | C14 | N2 | 0.2° | 0.2° |
| C16 | C15 | C14 | C13 | 179.5° | 179.8° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C15 | C14 | N2 | C13 | 179.7° | 180.0° |
| C15 | C14 | C13 | C11 | 179.3° | 179.8° |
| C14 | C15 | C16 | H16 | 0.1° | 0.0° |
| C15 | C14 | N2 | H21N | 180.0° | 180.0° |
| C15 | C14 | N2 | H22N | 60.0° | 0.0° |
| N2 | C14 | C13 | C11 | 1.1° | 0.1° |
| C14 | N2 | H21N | H22N | 120.0° | 179.9° |
| C14 | C13 | C11 | C12 | 165.1° | 162.5° |
| C14 | C13 | C11 | C9 | 77.1° | 78.2° |
| C13 | C14 | N2 | H21N | 0.3° | 0.0° |
| C13 | C14 | N2 | H22N | 120.3° | 179.9° |
| C14 | C13 | C11 | H11 | 42.7° | 41.7° |
| C13 | C11 | C12 | C9 | 117.5° | 119.9° |
| C13 | C11 | C12 | H11 | 122.4° | 120.8° |
| C13 | C11 | C9 | H11 | 120.0° | 120.0° |
| C13 | C11 | C9 | H91C | 170.0° | 170.5° |
| C13 | C11 | C9 | H92C | 50.7° | 50.5° |
| C13 | C11 | C12 | H121 | 69.0° | 68.1° |
| C13 | C11 | C12 | H122 | 170.9° | 171.0° |
| C12 | C11 | C9 | H11 | 120.1° | 119.4° |
| C12 | C11 | C9 | H91C | 70.0° | 68.9° |
| C12 | C11 | C9 | H92C | 170.6° | 171.2° |
| C11 | C12 | C6 | H6 | 171.0° | 169.7° |
| C11 | C12 | H121 | H122 | 120.3° | 120.9° |
| C11 | C9 | H91C | H92C | 119.0° | 119.9° |
| C9 | C11 | C12 | H121 | 173.5° | 172.0° |
| C9 | C11 | C12 | H122 | 53.3° | 51.1° |
| H1 | O1 | C10 | H101 | 59.8° | 60.1° |
| H1 | O1 | C10 | H102 | 59.8° | 59.9° |
| H101 | C10 | C18 | H181 | 68.7° | 60.0° |
| H101 | C10 | C18 | H182 | 51.2° | 180.0° |
| H102 | C10 | C18 | H181 | 171.6° | 180.0° |
| H102 | C10 | C18 | H182 | 68.5° | 60.0° |
| H7 | C7 | C6 | H6 | 42.0° | 42.9° |
| H91C | C9 | C11 | H11 | 50.0° | 50.5° |
| H92C | C9 | C11 | H11 | 69.3° | 69.5° |
| H6 | C6 | C5 | H51C | 68.2° | 51.6° |
| H6 | C6 | C5 | H52C | 51.3° | 68.0° |
| H6 | C6 | C12 | H121 | 69.1° | 70.8° |
| H6 | C6 | C12 | H122 | 51.1° | 50.1° |
| H121 | C12 | C11 | H11 | 53.5° | 52.6° |
| H122 | C12 | C11 | H11 | 66.7° | 68.2° |
| H17 | C17 | C16 | H16 | 0.2° | 0.0° |
