1HV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N28 | sing | 1.46Å | 1.46Å | |
| N28 | C26 | sing | 1.35Å | 1.36Å | |
| C20 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C19 | sing | 1.48Å | 1.52Å | |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C22 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| O25 | C23 | doub | 1.22Å | 1.22Å | |
| C19 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C14 | sing | 1.48Å | 1.52Å | |
| C23 | N24 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C29 | N24 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C6 | N3 | sing | 1.39Å | 1.36Å | |
| C6 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.27Å | Aromatic |
| C21 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| N3 | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.51Å | |
| C5 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| C31 | N1 | sing | 1.47Å | 1.48Å | |
| C4 | C8 | sing | 1.47Å | 1.50Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C9 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| N1 | H16 | sing | 1.01Å | 1.00Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N28 | C26 | 122.0° | 120.1° |
| C32 | N28 | H21 | 119.0° | 120.0° |
| N28 | C32 | H24 | 109.5° | 109.4° |
| N28 | C32 | H25 | 109.5° | 109.5° |
| N28 | C32 | H26 | 109.5° | 109.5° |
| N28 | C26 | C19 | 120.7° | 120.1° |
| N28 | C26 | O27 | 122.1° | 119.9° |
| C26 | N28 | H21 | 119.0° | 119.9° |
| C22 | C20 | C19 | 120.8° | 119.9° |
| C20 | C22 | C6 | 120.8° | 120.0° |
| C22 | C20 | H8 | 119.6° | 120.0° |
| C20 | C22 | H10 | 119.6° | 120.0° |
| C20 | C19 | C26 | 118.2° | 120.0° |
| C20 | C19 | C21 | 118.7° | 119.9° |
| C19 | C20 | H8 | 119.6° | 120.1° |
| C19 | C26 | O27 | 117.3° | 120.0° |
| C26 | C19 | C21 | 123.1° | 120.1° |
| C22 | C6 | N3 | 119.0° | 119.9° |
| C22 | C6 | C18 | 118.6° | 120.1° |
| C6 | C22 | H10 | 119.6° | 120.0° |
| O25 | C23 | C14 | 116.4° | 120.0° |
| O25 | C23 | N24 | 121.6° | 120.0° |
| C19 | C21 | C18 | 120.3° | 119.9° |
| C19 | C21 | H9 | 119.8° | 120.0° |
| C13 | C16 | C14 | 120.3° | 120.0° |
| C16 | C13 | C5 | 120.6° | 120.0° |
| C16 | C13 | H3 | 119.7° | 120.0° |
| C13 | C16 | H5 | 119.8° | 120.0° |
| C16 | C14 | C23 | 120.9° | 120.0° |
| C16 | C14 | C15 | 119.0° | 120.0° |
| C14 | C16 | H5 | 119.8° | 120.0° |
| C13 | C5 | C4 | 117.1° | 120.0° |
| C13 | C5 | C17 | 119.6° | 120.0° |
| C5 | C13 | H3 | 119.7° | 120.0° |
| C14 | C23 | N24 | 122.0° | 120.0° |
| C23 | C14 | C15 | 120.2° | 120.0° |
| C23 | N24 | C29 | 120.9° | 120.0° |
| C23 | N24 | H20 | 119.6° | 120.0° |
| C14 | C15 | C17 | 120.8° | 120.0° |
| C14 | C15 | H4 | 119.6° | 120.0° |
| N24 | C29 | C30 | 111.9° | 109.5° |
| N24 | C29 | H11 | 108.8° | 109.5° |
| N24 | C29 | H12 | 108.9° | 109.4° |
| C29 | N24 | H20 | 119.5° | 120.0° |
| C29 | C30 | C31 | 110.8° | 109.5° |
| C30 | C29 | H11 | 108.9° | 109.5° |
| C30 | C29 | H12 | 108.8° | 109.5° |
| C29 | C30 | H13 | 109.1° | 109.5° |
| C29 | C30 | H14 | 109.1° | 109.5° |
| N3 | C6 | C18 | 122.4° | 119.9° |
| C6 | N3 | N2 | 124.6° | 125.4° |
| C6 | N3 | C7 | 128.9° | 125.4° |
| C6 | C18 | C21 | 120.7° | 120.1° |
| C6 | C18 | H7 | 119.7° | 119.9° |
| N3 | N2 | C4 | 112.7° | 110.0° |
| N2 | N3 | C7 | 106.5° | 109.2° |
| N2 | C4 | C5 | 123.3° | 126.2° |
| N2 | C4 | C8 | 108.4° | 107.6° |
| C21 | C18 | H7 | 119.7° | 120.0° |
| C18 | C21 | H9 | 119.8° | 120.0° |
| N3 | C7 | C8 | 111.0° | 106.9° |
| N3 | C7 | C12 | 129.6° | 133.6° |
| C4 | C5 | C17 | 123.2° | 120.0° |
| C5 | C4 | C8 | 128.2° | 126.2° |
| C5 | C17 | C15 | 119.8° | 120.0° |
| C5 | C17 | H6 | 120.1° | 120.0° |
| C30 | C31 | N1 | 109.2° | 109.5° |
| C31 | C30 | H13 | 109.1° | 109.5° |
| C31 | C30 | H14 | 109.1° | 109.5° |
| C30 | C31 | H22 | 109.5° | 109.4° |
| C30 | C31 | H23 | 109.5° | 109.5° |
| C31 | N1 | H15 | 109.5° | 111.0° |
| C31 | N1 | H16 | 109.5° | 111.0° |
| N1 | C31 | H22 | 109.5° | 109.4° |
| N1 | C31 | H23 | 109.5° | 109.5° |
| C4 | C8 | C7 | 101.4° | 106.3° |
| C4 | C8 | C11 | 135.3° | 133.8° |
| C17 | C15 | H4 | 119.6° | 120.0° |
| C15 | C17 | H6 | 120.1° | 120.0° |
| C8 | C7 | C12 | 119.4° | 119.4° |
| C7 | C8 | C11 | 123.3° | 119.8° |
| C7 | C12 | C10 | 118.4° | 119.8° |
| C7 | C12 | H2 | 120.8° | 120.2° |
| C8 | C11 | C9 | 116.9° | 119.8° |
| C8 | C11 | H1 | 121.6° | 120.1° |
| C12 | C10 | C9 | 121.4° | 120.6° |
| C10 | C12 | H2 | 120.8° | 120.1° |
| C12 | C10 | H19 | 119.3° | 119.7° |
| C11 | C9 | C10 | 120.7° | 120.6° |
| C9 | C11 | H1 | 121.5° | 120.1° |
| C11 | C9 | H18 | 119.7° | 119.7° |
| C10 | C9 | H18 | 119.6° | 119.7° |
| C9 | C10 | H19 | 119.3° | 119.7° |
| H11 | C29 | H12 | 109.5° | 109.5° |
| H13 | C30 | H14 | 109.5° | 109.4° |
| H15 | N1 | H16 | 109.5° | 111.0° |
| H22 | C31 | H23 | 109.4° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H24 | C32 | H26 | 109.4° | 109.4° |
| H25 | C32 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N28 | C26 | H21 | 180.0° | 180.0° |
| C32 | N28 | C26 | C19 | 180.0° | 180.0° |
| C32 | N28 | C26 | O27 | 0.3° | 0.0° |
| N28 | C32 | H24 | H25 | 120.0° | 120.0° |
| N28 | C32 | H24 | H26 | 120.0° | 120.0° |
| N28 | C32 | H25 | H26 | 120.0° | 120.0° |
| N28 | C26 | C19 | C20 | 33.7° | 0.0° |
| N28 | C26 | C19 | O27 | 179.7° | 180.0° |
| N28 | C26 | C19 | C21 | 146.3° | 180.0° |
| C26 | N28 | C32 | H24 | 180.0° | 60.0° |
| C26 | N28 | C32 | H25 | 60.0° | 180.0° |
| C26 | N28 | C32 | H26 | 60.0° | 59.9° |
| C22 | C20 | C19 | H8 | 180.0° | 179.7° |
| C22 | C20 | C19 | C26 | 180.0° | 179.7° |
| C20 | C22 | C6 | H10 | 180.0° | 179.7° |
| C22 | C20 | C19 | C21 | 0.0° | 0.3° |
| C20 | C22 | C6 | N3 | 179.2° | 180.0° |
| C20 | C22 | C6 | C18 | 0.1° | 0.0° |
| C20 | C19 | C26 | C21 | 180.0° | 180.0° |
| C20 | C19 | C26 | O27 | 146.6° | 180.0° |
| C19 | C20 | C22 | C6 | 0.1° | 0.3° |
| C20 | C19 | C21 | C18 | 0.0° | 0.0° |
| C20 | C19 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C22 | H10 | 179.9° | 180.0° |
| C26 | C19 | C21 | C18 | 180.0° | 180.0° |
| C26 | C19 | C20 | H8 | 0.0° | 0.0° |
| C26 | C19 | C21 | H9 | 0.0° | 0.0° |
| C19 | C26 | N28 | H21 | 0.0° | 0.0° |
| O27 | C26 | C19 | C21 | 33.4° | 0.0° |
| O27 | C26 | N28 | H21 | 179.6° | 180.0° |
| C22 | C6 | N3 | C18 | 179.3° | 180.0° |
| C22 | C6 | N3 | N2 | 33.7° | 35.0° |
| C22 | C6 | C18 | C21 | 0.1° | 0.3° |
| C22 | C6 | N3 | C7 | 143.5° | 145.0° |
| C22 | C6 | C18 | H7 | 179.9° | 180.0° |
| C6 | C22 | C20 | H8 | 179.9° | 180.0° |
| O25 | C23 | C14 | C16 | 17.2° | 179.7° |
| O25 | C23 | C14 | N24 | 179.3° | 180.0° |
| O25 | C23 | C14 | C15 | 162.9° | 0.0° |
| O25 | C23 | N24 | C29 | 0.6° | 0.0° |
| O25 | C23 | N24 | H20 | 179.4° | 180.0° |
| C19 | C21 | C18 | C6 | 0.0° | 0.3° |
| C19 | C21 | C18 | H9 | 180.0° | 179.9° |
| C19 | C21 | C18 | H7 | 180.0° | 180.0° |
| C21 | C19 | C20 | H8 | 180.0° | 180.0° |
| C13 | C16 | C14 | H5 | 180.0° | 180.0° |
| C16 | C13 | C5 | H3 | 180.0° | 179.8° |
| C13 | C16 | C14 | C23 | 180.0° | 179.7° |
| C13 | C16 | C14 | C15 | 0.0° | 0.0° |
| C16 | C13 | C5 | C4 | 178.6° | 179.8° |
| C16 | C13 | C5 | C17 | 1.3° | 0.2° |
| C14 | C16 | C13 | C5 | 0.6° | 0.1° |
| C16 | C14 | C23 | C15 | 180.0° | 179.7° |
| C16 | C14 | C23 | N24 | 162.1° | 0.3° |
| C16 | C14 | C15 | C17 | 0.1° | 0.3° |
| C14 | C16 | C13 | H3 | 179.3° | 179.7° |
| C16 | C14 | C15 | H4 | 179.9° | 180.0° |
| C13 | C5 | C4 | N2 | 24.7° | 35.0° |
| C13 | C5 | C4 | C17 | 177.2° | 180.0° |
| C13 | C5 | C4 | C8 | 151.8° | 145.1° |
| C13 | C5 | C17 | C15 | 1.2° | 0.6° |
| C5 | C13 | C16 | H5 | 179.4° | 180.0° |
| C13 | C5 | C17 | H6 | 178.8° | 180.0° |
| C14 | C23 | N24 | C29 | 179.9° | 180.0° |
| C23 | C14 | C15 | C17 | 180.0° | 180.0° |
| C23 | C14 | C15 | H4 | 0.0° | 0.3° |
| C23 | C14 | C16 | H5 | 0.0° | 0.3° |
| C14 | C23 | N24 | H20 | 0.2° | 0.1° |
| N24 | C23 | C14 | C15 | 17.9° | 180.0° |
| C23 | N24 | C29 | H20 | 180.0° | 179.9° |
| C23 | N24 | C29 | C30 | 174.7° | 180.0° |
| C23 | N24 | C29 | H11 | 54.3° | 60.0° |
| C23 | N24 | C29 | H12 | 65.0° | 60.0° |
| C14 | C15 | C17 | C5 | 0.6° | 0.6° |
| C14 | C15 | C17 | H4 | 180.0° | 179.7° |
| C15 | C14 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C17 | H6 | 179.4° | 180.0° |
| N24 | C29 | C30 | H11 | 120.4° | 120.0° |
| N24 | C29 | C30 | H12 | 120.4° | 120.0° |
| N24 | C29 | C30 | C31 | 169.5° | 180.0° |
| N24 | C29 | H11 | H12 | 118.9° | 120.0° |
| N24 | C29 | C30 | H13 | 49.3° | 60.0° |
| N24 | C29 | C30 | H14 | 70.3° | 60.0° |
| C29 | C30 | C31 | H13 | 120.2° | 120.0° |
| C29 | C30 | C31 | H14 | 120.2° | 120.0° |
| C29 | C30 | C31 | N1 | 170.6° | 180.0° |
| C30 | C29 | H11 | H12 | 118.9° | 120.0° |
| C29 | C30 | H13 | H14 | 119.4° | 120.0° |
| C30 | C29 | N24 | H20 | 5.4° | 0.0° |
| C29 | C30 | C31 | H22 | 69.4° | 60.1° |
| C29 | C30 | C31 | H23 | 50.6° | 60.0° |
| C6 | N3 | N2 | C7 | 177.7° | 180.0° |
| C6 | N3 | N2 | C4 | 179.4° | 180.0° |
| N3 | C6 | C18 | C21 | 179.2° | 179.7° |
| C6 | N3 | C7 | C8 | 178.5° | 180.0° |
| C6 | N3 | C7 | C12 | 2.2° | 0.6° |
| N3 | C6 | C18 | H7 | 0.8° | 0.0° |
| N3 | C6 | C22 | H10 | 0.8° | 0.3° |
| C18 | C6 | N3 | N2 | 147.0° | 145.0° |
| C6 | C18 | C21 | H7 | 180.0° | 179.6° |
| C18 | C6 | N3 | C7 | 35.8° | 35.0° |
| C6 | C18 | C21 | H9 | 180.0° | 179.7° |
| C18 | C6 | C22 | H10 | 179.9° | 179.7° |
| N3 | N2 | C4 | C5 | 178.8° | 179.9° |
| N3 | N2 | C4 | C8 | 1.7° | 0.0° |
| N2 | N3 | C7 | C8 | 0.9° | 0.0° |
| N2 | N3 | C7 | C12 | 179.7° | 179.4° |
| C4 | N2 | N3 | C7 | 1.7° | 0.0° |
| N2 | C4 | C5 | C8 | 176.5° | 179.9° |
| N2 | C4 | C5 | C17 | 158.1° | 145.0° |
| N2 | C4 | C8 | C7 | 1.0° | 0.0° |
| N2 | C4 | C8 | C11 | 179.8° | 180.0° |
| N3 | C7 | C8 | C4 | 0.0° | 0.0° |
| N3 | C7 | C8 | C12 | 179.4° | 179.5° |
| N3 | C7 | C8 | C11 | 179.3° | 180.0° |
| N3 | C7 | C12 | C10 | 179.3° | 179.9° |
| N3 | C7 | C12 | H2 | 0.7° | 0.3° |
| C4 | C5 | C17 | C15 | 178.4° | 179.5° |
| C5 | C4 | C8 | C7 | 177.9° | 179.9° |
| C5 | C4 | C8 | C11 | 2.9° | 0.1° |
| C4 | C5 | C13 | H3 | 1.4° | 0.0° |
| C4 | C5 | C17 | H6 | 1.6° | 0.1° |
| C17 | C5 | C4 | C8 | 25.4° | 34.9° |
| C5 | C17 | C15 | H6 | 180.0° | 179.4° |
| C17 | C5 | C13 | H3 | 178.7° | 180.0° |
| C5 | C17 | C15 | H4 | 179.4° | 179.7° |
| C30 | C31 | N1 | H22 | 120.0° | 119.9° |
| C30 | C31 | N1 | H23 | 120.0° | 120.1° |
| C31 | C30 | C29 | H11 | 70.1° | 60.0° |
| C31 | C30 | C29 | H12 | 49.1° | 60.0° |
| C31 | C30 | H13 | H14 | 119.4° | 120.0° |
| C30 | C31 | N1 | H15 | 180.0° | 56.0° |
| C30 | C31 | N1 | H16 | 60.0° | 179.9° |
| C30 | C31 | H22 | H23 | 120.1° | 120.1° |
| N1 | C31 | C30 | H13 | 50.3° | 60.0° |
| N1 | C31 | C30 | H14 | 69.2° | 60.0° |
| C31 | N1 | H15 | H16 | 120.0° | 123.9° |
| N1 | C31 | H22 | H23 | 120.1° | 120.0° |
| C4 | C8 | C7 | C11 | 179.4° | 180.0° |
| C4 | C8 | C7 | C12 | 179.4° | 179.5° |
| C4 | C8 | C11 | C9 | 179.1° | 180.0° |
| C4 | C8 | C11 | H1 | 1.0° | 0.2° |
| C8 | C7 | C12 | C10 | 0.0° | 0.7° |
| C7 | C8 | C11 | C9 | 0.0° | 0.0° |
| C7 | C8 | C11 | H1 | 180.0° | 179.7° |
| C8 | C7 | C12 | H2 | 180.0° | 179.7° |
| C12 | C7 | C8 | C11 | 0.0° | 0.5° |
| C7 | C12 | C10 | H2 | 180.0° | 179.5° |
| C7 | C12 | C10 | C9 | 0.2° | 0.5° |
| C7 | C12 | C10 | H19 | 179.8° | 180.0° |
| C8 | C11 | C9 | H1 | 180.0° | 179.7° |
| C8 | C11 | C9 | C10 | 0.1° | 0.3° |
| C8 | C11 | C9 | H18 | 179.9° | 179.8° |
| C12 | C10 | C9 | C11 | 0.2° | 0.0° |
| C12 | C10 | C9 | H19 | 180.0° | 179.5° |
| C12 | C10 | C9 | H18 | 179.8° | 180.0° |
| C11 | C9 | C10 | H18 | 180.0° | 179.9° |
| C11 | C9 | C10 | H19 | 179.8° | 179.5° |
| C10 | C9 | C11 | H1 | 179.8° | 180.0° |
| C9 | C10 | C12 | H2 | 179.8° | 180.0° |
| H1 | C11 | C9 | H18 | 0.2° | 0.1° |
| H2 | C12 | C10 | H19 | 0.2° | 0.5° |
| H3 | C13 | C16 | H5 | 0.7° | 0.2° |
| H4 | C15 | C17 | H6 | 0.6° | 0.3° |
| H7 | C18 | C21 | H9 | 0.0° | 0.1° |
| H8 | C20 | C22 | H10 | 0.1° | 0.3° |
| H11 | C29 | C30 | H13 | 169.7° | 60.0° |
| H11 | C29 | C30 | H14 | 50.1° | 180.0° |
| H11 | C29 | N24 | H20 | 125.7° | 120.0° |
| H12 | C29 | C30 | H13 | 71.1° | 179.9° |
| H12 | C29 | C30 | H14 | 169.3° | 60.0° |
| H12 | C29 | N24 | H20 | 115.0° | 120.0° |
| H13 | C30 | C31 | H22 | 170.3° | 179.9° |
| H13 | C30 | C31 | H23 | 69.6° | 60.0° |
| H14 | C30 | C31 | H22 | 50.8° | 60.0° |
| H14 | C30 | C31 | H23 | 170.8° | 180.0° |
| H15 | N1 | C31 | H22 | 60.0° | 63.9° |
| H15 | N1 | C31 | H23 | 60.0° | 176.1° |
| H16 | N1 | C31 | H22 | 180.0° | 60.0° |
| H16 | N1 | C31 | H23 | 60.0° | 60.0° |
| H18 | C9 | C10 | H19 | 0.2° | 0.5° |
| H21 | N28 | C32 | H24 | 0.0° | 120.0° |
| H21 | N28 | C32 | H25 | 120.0° | 0.0° |
| H21 | N28 | C32 | H26 | 120.0° | 120.0° |
| H24 | C32 | H25 | H26 | 120.0° | 120.0° |
