V9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| O | C1 | doub | 1.22Å | 1.24Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | doub | 1.36Å | 1.34Å | Aromatic |
| C2 | O3 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.43Å | Aromatic |
| O3 | C12 | sing | 1.33Å | 1.39Å | Aromatic |
| C4 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C11 | C6 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | O2 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 122.3° | 120.0° |
| C | N | H17 | 118.9° | 119.9° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.5° | 109.4° |
| N | C | H20 | 109.5° | 109.5° |
| O | C1 | N | 124.2° | 120.0° |
| O | C1 | C2 | 120.5° | 120.0° |
| N | C1 | C2 | 115.2° | 120.0° |
| C1 | N | H17 | 118.9° | 120.1° |
| C1 | C2 | C3 | 128.2° | 125.6° |
| C1 | C2 | O3 | 121.9° | 125.7° |
| C3 | C2 | O3 | 109.9° | 108.7° |
| C2 | C3 | C4 | 107.6° | 106.6° |
| C2 | C3 | H16 | 126.2° | 126.7° |
| C2 | O3 | C12 | 106.9° | 109.9° |
| C3 | C4 | C12 | 106.2° | 106.4° |
| C3 | C4 | C5 | 128.0° | 126.8° |
| C4 | C3 | H16 | 126.2° | 126.7° |
| O3 | C12 | C4 | 109.4° | 108.4° |
| O3 | C12 | C13 | 115.2° | 125.8° |
| C12 | C4 | C5 | 125.7° | 126.8° |
| C4 | C12 | C13 | 135.4° | 125.8° |
| C4 | C5 | N1 | 115.6° | 120.0° |
| C4 | C5 | O1 | 121.1° | 120.0° |
| C12 | C13 | C14 | 113.4° | 109.5° |
| C12 | C13 | C15 | 108.5° | 109.5° |
| C12 | C13 | H9 | 107.7° | 109.5° |
| C14 | C13 | C15 | 112.1° | 109.4° |
| C14 | C13 | H9 | 107.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.4° | 109.4° |
| N1 | C5 | O1 | 123.3° | 120.0° |
| C5 | N1 | C6 | 123.0° | 120.0° |
| C5 | N1 | H1 | 118.5° | 120.1° |
| N1 | C6 | C11 | 110.8° | 109.5° |
| N1 | C6 | C7 | 111.0° | 109.5° |
| C6 | N1 | H1 | 118.5° | 119.9° |
| N1 | C6 | H2 | 108.7° | 109.4° |
| C13 | C15 | C20 | 120.7° | 120.0° |
| C13 | C15 | C16 | 120.8° | 120.0° |
| C15 | C13 | H9 | 107.6° | 109.4° |
| C6 | C11 | C10 | 111.3° | 109.5° |
| C11 | C6 | C7 | 110.1° | 109.5° |
| C11 | C6 | H2 | 108.1° | 109.4° |
| C6 | C11 | H12 | 109.0° | 109.5° |
| C6 | C11 | H13 | 109.0° | 109.5° |
| C11 | C10 | C9 | 111.8° | 109.5° |
| C11 | C10 | H7 | 108.9° | 109.5° |
| C11 | C10 | H8 | 108.9° | 109.4° |
| C10 | C11 | H12 | 109.0° | 109.4° |
| C10 | C11 | H13 | 109.0° | 109.5° |
| C6 | C7 | C8 | 110.7° | 109.4° |
| C7 | C6 | H2 | 108.1° | 109.5° |
| C6 | C7 | H3 | 109.2° | 109.5° |
| C6 | C7 | H4 | 109.2° | 109.5° |
| C15 | C20 | C19 | 120.7° | 120.0° |
| C20 | C15 | C16 | 118.5° | 120.0° |
| C15 | C20 | H11 | 119.6° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C19 | C20 | H11 | 119.6° | 120.0° |
| C20 | C19 | H24 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.6° | 120.0° |
| C15 | C16 | H26 | 119.7° | 120.0° |
| C7 | C8 | C9 | 111.2° | 109.5° |
| C8 | C7 | H3 | 109.2° | 109.5° |
| C8 | C7 | H4 | 109.2° | 109.5° |
| C7 | C8 | H5 | 109.1° | 109.5° |
| C7 | C8 | H6 | 109.0° | 109.4° |
| C10 | C9 | C8 | 111.0° | 109.4° |
| C10 | C9 | O2 | 109.5° | 109.5° |
| C9 | C10 | H7 | 108.9° | 109.5° |
| C9 | C10 | H8 | 108.8° | 109.5° |
| C10 | C9 | H14 | 108.7° | 109.5° |
| C8 | C9 | O2 | 109.1° | 109.5° |
| C9 | C8 | H5 | 109.0° | 109.5° |
| C9 | C8 | H6 | 109.0° | 109.5° |
| C8 | C9 | H14 | 108.7° | 109.4° |
| O2 | C9 | H14 | 109.8° | 109.5° |
| C9 | O2 | H15 | 109.5° | 114.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C18 | C19 | H24 | 119.9° | 120.0° |
| C19 | C18 | H25 | 120.2° | 120.0° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C16 | C17 | H10 | 119.9° | 120.0° |
| C17 | C16 | H26 | 119.7° | 120.0° |
| C18 | C17 | H10 | 119.9° | 120.0° |
| C17 | C18 | H25 | 120.2° | 120.0° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.4° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H18 | C | H19 | 109.5° | 109.4° |
| H18 | C | H20 | 109.4° | 109.5° |
| H19 | C | H20 | 109.5° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | O | 5.5° | 0.1° |
| C | N | C1 | H17 | 180.0° | 179.9° |
| C | N | C1 | C2 | 176.9° | 180.0° |
| N | C | H18 | H19 | 120.0° | 119.9° |
| N | C | H18 | H20 | 120.0° | 120.1° |
| N | C | H19 | H20 | 120.0° | 120.0° |
| O | C1 | N | C2 | 177.7° | 179.9° |
| O | C1 | C2 | C3 | 4.3° | 0.0° |
| O | C1 | C2 | O3 | 171.3° | 179.8° |
| O | C1 | N | H17 | 174.5° | 180.0° |
| N | C1 | C2 | C3 | 178.0° | 179.9° |
| N | C1 | C2 | O3 | 6.5° | 0.3° |
| C1 | N | C | H18 | 180.0° | 60.1° |
| C1 | N | C | H19 | 60.0° | 180.0° |
| C1 | N | C | H20 | 60.0° | 60.0° |
| C1 | C2 | C3 | O3 | 176.0° | 179.8° |
| C1 | C2 | C3 | C4 | 175.6° | 180.0° |
| C1 | C2 | O3 | C12 | 176.0° | 179.9° |
| C1 | C2 | C3 | H16 | 4.4° | 0.1° |
| C2 | C1 | N | H17 | 3.1° | 0.1° |
| C2 | C3 | C4 | H16 | 180.0° | 179.9° |
| C3 | C2 | O3 | C12 | 0.4° | 0.3° |
| C2 | C3 | C4 | C12 | 0.4° | 0.0° |
| C2 | C3 | C4 | C5 | 177.6° | 179.8° |
| O3 | C2 | C3 | C4 | 0.4° | 0.2° |
| C2 | O3 | C12 | C4 | 0.1° | 0.4° |
| C2 | O3 | C12 | C13 | 179.5° | 179.7° |
| O3 | C2 | C3 | H16 | 179.5° | 179.7° |
| C3 | C4 | C12 | O3 | 0.1° | 0.2° |
| C3 | C4 | C12 | C5 | 178.0° | 179.8° |
| C3 | C4 | C12 | C13 | 179.6° | 179.8° |
| C3 | C4 | C5 | N1 | 20.2° | 0.2° |
| C3 | C4 | C5 | O1 | 160.1° | 179.7° |
| O3 | C12 | C4 | C13 | 179.5° | 180.0° |
| O3 | C12 | C4 | C5 | 177.8° | 180.0° |
| O3 | C12 | C13 | C14 | 35.3° | 60.0° |
| O3 | C12 | C13 | C15 | 89.8° | 60.0° |
| O3 | C12 | C13 | H9 | 154.1° | 180.0° |
| C4 | C12 | C13 | C14 | 145.2° | 120.0° |
| C12 | C4 | C5 | N1 | 157.4° | 180.0° |
| C12 | C4 | C5 | O1 | 22.4° | 0.1° |
| C4 | C12 | C13 | C15 | 89.6° | 120.0° |
| C4 | C12 | C13 | H9 | 26.5° | 0.0° |
| C12 | C4 | C3 | H16 | 179.6° | 180.0° |
| C5 | C4 | C12 | C13 | 1.6° | 0.0° |
| C4 | C5 | N1 | O1 | 179.8° | 179.9° |
| C4 | C5 | N1 | C6 | 168.0° | 180.0° |
| C4 | C5 | N1 | H1 | 12.0° | 0.2° |
| C5 | C4 | C3 | H16 | 2.5° | 0.3° |
| C12 | C13 | C14 | C15 | 123.2° | 120.0° |
| C12 | C13 | C14 | H9 | 118.9° | 120.1° |
| C12 | C13 | C15 | H9 | 116.2° | 120.0° |
| C12 | C13 | C15 | C20 | 72.2° | 59.7° |
| C12 | C13 | C15 | C16 | 109.4° | 120.0° |
| C12 | C13 | C14 | H21 | 180.0° | 60.0° |
| C12 | C13 | C14 | H22 | 60.0° | 180.0° |
| C12 | C13 | C14 | H23 | 60.0° | 60.1° |
| C14 | C13 | C15 | H9 | 117.9° | 120.0° |
| C14 | C13 | C15 | C20 | 53.8° | 60.3° |
| C14 | C13 | C15 | C16 | 124.6° | 120.0° |
| C13 | C14 | H21 | H22 | 120.0° | 120.1° |
| C13 | C14 | H21 | H23 | 120.0° | 120.0° |
| C13 | C14 | H22 | H23 | 119.9° | 119.9° |
| C5 | N1 | C6 | H1 | 180.0° | 179.7° |
| C5 | N1 | C6 | C11 | 91.9° | 85.2° |
| C5 | N1 | C6 | C7 | 145.4° | 154.8° |
| C5 | N1 | C6 | H2 | 26.7° | 34.7° |
| O1 | C5 | N1 | C6 | 11.8° | 0.0° |
| O1 | C5 | N1 | H1 | 168.2° | 179.7° |
| N1 | C6 | C11 | C7 | 123.1° | 120.0° |
| N1 | C6 | C11 | H2 | 119.0° | 119.9° |
| N1 | C6 | C11 | C10 | 179.8° | 180.0° |
| N1 | C6 | C7 | H2 | 119.1° | 120.0° |
| N1 | C6 | C7 | C8 | 179.0° | 180.0° |
| N1 | C6 | C7 | H3 | 58.8° | 60.0° |
| N1 | C6 | C7 | H4 | 60.8° | 60.0° |
| N1 | C6 | C11 | H12 | 59.6° | 60.0° |
| N1 | C6 | C11 | H13 | 59.9° | 59.9° |
| C13 | C15 | C20 | C16 | 178.4° | 179.7° |
| C13 | C15 | C20 | C19 | 178.2° | 180.0° |
| C13 | C15 | C16 | C17 | 178.3° | 179.8° |
| C13 | C15 | C20 | H11 | 1.8° | 0.0° |
| C15 | C13 | C14 | H21 | 56.8° | 60.0° |
| C15 | C13 | C14 | H22 | 176.8° | 60.0° |
| C15 | C13 | C14 | H23 | 63.2° | 180.0° |
| C13 | C15 | C16 | H26 | 1.7° | 0.0° |
| C6 | C11 | C10 | H12 | 120.3° | 120.0° |
| C6 | C11 | C10 | H13 | 120.3° | 120.1° |
| C11 | C6 | C7 | H2 | 117.9° | 120.0° |
| C11 | C6 | C7 | C8 | 58.0° | 60.0° |
| C6 | C11 | C10 | C9 | 54.9° | 60.0° |
| C11 | C6 | N1 | H1 | 88.1° | 95.0° |
| C11 | C6 | C7 | H3 | 178.1° | 180.0° |
| C11 | C6 | C7 | H4 | 62.2° | 60.0° |
| C6 | C11 | C10 | H7 | 175.3° | 180.0° |
| C6 | C11 | C10 | H8 | 65.4° | 60.0° |
| C6 | C11 | H12 | H13 | 119.2° | 120.0° |
| C10 | C11 | C6 | C7 | 56.7° | 60.0° |
| C11 | C10 | C9 | H7 | 120.4° | 120.1° |
| C11 | C10 | C9 | H8 | 120.4° | 120.0° |
| C11 | C10 | C9 | C8 | 53.6° | 59.9° |
| C11 | C10 | C9 | O2 | 174.2° | 180.0° |
| C10 | C11 | C6 | H2 | 61.2° | 60.1° |
| C11 | C10 | H7 | H8 | 119.0° | 120.0° |
| C10 | C11 | H12 | H13 | 119.2° | 120.0° |
| C11 | C10 | C9 | H14 | 65.9° | 60.0° |
| C6 | C7 | C8 | H3 | 120.2° | 120.0° |
| C6 | C7 | C8 | H4 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 57.5° | 60.0° |
| C7 | C6 | N1 | H1 | 34.6° | 25.0° |
| C6 | C7 | H3 | H4 | 119.5° | 120.0° |
| C6 | C7 | C8 | H5 | 62.8° | 60.0° |
| C6 | C7 | C8 | H6 | 177.7° | 180.0° |
| C7 | C6 | C11 | H12 | 63.6° | 60.0° |
| C7 | C6 | C11 | H13 | 177.0° | 179.9° |
| C15 | C20 | C19 | H11 | 180.0° | 180.0° |
| C15 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C15 | C16 | C17 | 0.1° | 0.5° |
| C20 | C15 | C13 | H9 | 171.7° | 179.7° |
| C15 | C20 | C19 | H24 | 179.9° | 179.9° |
| C20 | C15 | C16 | H26 | 179.9° | 179.7° |
| C19 | C20 | C15 | C16 | 0.2° | 0.3° |
| C20 | C19 | C18 | H24 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H25 | 179.9° | 180.0° |
| C15 | C16 | C17 | H26 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.4° |
| C16 | C15 | C13 | H9 | 6.7° | 0.0° |
| C15 | C16 | C17 | H10 | 179.9° | 179.8° |
| C16 | C15 | C20 | H11 | 179.8° | 179.7° |
| C7 | C8 | C9 | C10 | 54.9° | 60.0° |
| C7 | C8 | C9 | H5 | 120.3° | 120.1° |
| C7 | C8 | C9 | H6 | 120.3° | 120.0° |
| C7 | C8 | C9 | O2 | 175.7° | 180.0° |
| C8 | C7 | C6 | H2 | 59.9° | 60.0° |
| C8 | C7 | H3 | H4 | 119.4° | 120.0° |
| C7 | C8 | H5 | H6 | 119.2° | 120.0° |
| C7 | C8 | C9 | H14 | 64.6° | 60.0° |
| C10 | C9 | C8 | O2 | 120.8° | 120.1° |
| C10 | C9 | C8 | H14 | 119.5° | 119.9° |
| C10 | C9 | O2 | H14 | 119.3° | 120.0° |
| C10 | C9 | C8 | H5 | 65.4° | 60.1° |
| C10 | C9 | C8 | H6 | 175.2° | 180.0° |
| C9 | C10 | H7 | H8 | 118.9° | 120.0° |
| C9 | C10 | C11 | H12 | 65.3° | 60.0° |
| C9 | C10 | C11 | H13 | 175.2° | 180.0° |
| C10 | C9 | O2 | H15 | 180.0° | 180.0° |
| C8 | C9 | O2 | H14 | 119.0° | 120.0° |
| C9 | C8 | C7 | H3 | 177.7° | 180.0° |
| C9 | C8 | C7 | H4 | 62.7° | 60.0° |
| C9 | C8 | H5 | H6 | 119.2° | 120.0° |
| C8 | C9 | C10 | H7 | 174.0° | 180.0° |
| C8 | C9 | C10 | H8 | 66.7° | 60.0° |
| C8 | C9 | O2 | H15 | 58.3° | 60.0° |
| O2 | C9 | C8 | H5 | 55.4° | 60.0° |
| O2 | C9 | C8 | H6 | 64.0° | 60.0° |
| O2 | C9 | C10 | H7 | 65.5° | 60.0° |
| O2 | C9 | C10 | H8 | 53.8° | 60.0° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | H25 | 180.0° | 180.0° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | H11 | 179.9° | 180.0° |
| C16 | C17 | C18 | H10 | 180.0° | 179.8° |
| C16 | C17 | C18 | H25 | 180.0° | 179.8° |
| C17 | C18 | C19 | H24 | 179.9° | 180.0° |
| C18 | C17 | C16 | H26 | 180.0° | 179.7° |
| H1 | N1 | C6 | H2 | 153.3° | 145.0° |
| H2 | C6 | C7 | H3 | 60.3° | 60.0° |
| H2 | C6 | C7 | H4 | 179.9° | 180.0° |
| H2 | C6 | C11 | H12 | 178.6° | 180.0° |
| H2 | C6 | C11 | H13 | 59.1° | 60.0° |
| H3 | C7 | C8 | H5 | 57.4° | 59.9° |
| H3 | C7 | C8 | H6 | 62.1° | 60.0° |
| H4 | C7 | C8 | H5 | 177.0° | 180.0° |
| H4 | C7 | C8 | H6 | 57.5° | 60.0° |
| H5 | C8 | C9 | H14 | 175.1° | 180.0° |
| H6 | C8 | C9 | H14 | 55.7° | 60.0° |
| H7 | C10 | C11 | H12 | 55.0° | 60.0° |
| H7 | C10 | C11 | H13 | 64.5° | 59.9° |
| H7 | C10 | C9 | H14 | 54.5° | 60.1° |
| H8 | C10 | C11 | H12 | 174.3° | 180.0° |
| H8 | C10 | C11 | H13 | 54.9° | 60.1° |
| H8 | C10 | C9 | H14 | 173.8° | 179.9° |
| H9 | C13 | C14 | H21 | 61.2° | 180.0° |
| H9 | C13 | C14 | H22 | 58.9° | 59.9° |
| H9 | C13 | C14 | H23 | 178.8° | 60.0° |
| H10 | C17 | C18 | H25 | 0.0° | 0.0° |
| H10 | C17 | C16 | H26 | 0.1° | 0.1° |
| H11 | C20 | C19 | H24 | 0.1° | 0.0° |
| H14 | C9 | O2 | H15 | 60.7° | 60.0° |
| H17 | N | C | H18 | 0.0° | 120.0° |
| H17 | N | C | H19 | 120.0° | 0.1° |
| H17 | N | C | H20 | 120.0° | 119.9° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
| H21 | C14 | H22 | H23 | 120.0° | 120.0° |
| H24 | C19 | C18 | H25 | 0.1° | 0.0° |
