74V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | N8 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N8 | C9 | sing | 1.47Å | 1.48Å | |
| C4 | C9 | sing | 1.53Å | 1.54Å | |
| C4 | N3 | sing | 1.47Å | 1.49Å | |
| N3 | C2 | sing | 1.46Å | 1.48Å | |
| N3 | C10 | sing | 1.35Å | 1.37Å | |
| O11 | C10 | doub | 1.22Å | 1.22Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.48Å | 1.48Å | |
| C13 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | C18 | sing | 1.41Å | 1.43Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | N19 | sing | 1.38Å | 1.39Å | |
| C18 | N17 | doub | 1.33Å | 1.35Å | Aromatic |
| C15 | N17 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| N19 | C20 | sing | 1.46Å | 1.47Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| O25 | C21 | sing | 1.34Å | 1.34Å | Aromatic |
| O25 | C24 | sing | 1.34Å | 1.34Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.35Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| N8 | H18 | sing | 1.01Å | 1.00Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| N19 | H25 | sing | 0.97Å | 1.00Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 109.8° | 109.3° |
| C6 | C7 | N8 | 110.4° | 109.5° |
| C7 | C6 | H4 | 109.4° | 109.5° |
| C7 | C6 | H5 | 109.4° | 109.5° |
| C6 | C7 | H6 | 109.2° | 109.4° |
| C6 | C7 | H7 | 109.2° | 109.5° |
| C6 | C5 | C4 | 113.0° | 109.2° |
| C6 | C5 | H2 | 108.6° | 109.5° |
| C6 | C5 | H3 | 108.6° | 109.6° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C5 | C6 | H5 | 109.4° | 109.5° |
| C7 | N8 | C9 | 115.2° | 111.2° |
| N8 | C7 | H6 | 109.2° | 109.4° |
| N8 | C7 | H7 | 109.2° | 109.5° |
| C7 | N8 | H18 | 108.0° | 111.0° |
| C5 | C4 | C9 | 109.8° | 109.3° |
| C5 | C4 | N3 | 113.4° | 109.5° |
| C5 | C4 | H1 | 106.0° | 109.5° |
| C4 | C5 | H2 | 108.6° | 109.6° |
| C4 | C5 | H3 | 108.5° | 109.5° |
| N8 | C9 | C4 | 111.7° | 109.5° |
| C9 | N8 | H18 | 108.0° | 111.0° |
| N8 | C9 | H20 | 108.9° | 109.5° |
| N8 | C9 | H21 | 109.0° | 109.5° |
| C9 | C4 | N3 | 114.4° | 109.5° |
| C9 | C4 | H1 | 106.0° | 109.5° |
| C4 | C9 | H20 | 108.9° | 109.4° |
| C4 | C9 | H21 | 108.9° | 109.4° |
| C4 | N3 | C2 | 122.2° | 120.0° |
| C4 | N3 | C10 | 115.4° | 120.0° |
| N3 | C4 | H1 | 106.6° | 109.5° |
| C2 | N3 | C10 | 122.3° | 120.0° |
| N3 | C2 | C1 | 112.0° | 109.5° |
| N3 | C2 | H16 | 108.8° | 109.5° |
| N3 | C2 | H17 | 108.8° | 109.5° |
| N3 | C10 | O11 | 118.5° | 120.0° |
| N3 | C10 | C12 | 126.1° | 120.0° |
| O11 | C10 | C12 | 115.3° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C1 | C2 | H16 | 108.9° | 109.4° |
| C1 | C2 | H17 | 108.8° | 109.5° |
| C10 | C12 | C13 | 118.8° | 121.0° |
| C10 | C12 | C18 | 123.9° | 121.0° |
| C12 | C13 | N14 | 120.0° | 119.0° |
| C13 | C12 | C18 | 117.2° | 118.0° |
| C12 | C13 | H8 | 120.0° | 120.5° |
| C13 | N14 | C15 | 121.2° | 121.2° |
| N14 | C13 | H8 | 120.0° | 120.5° |
| C12 | C18 | N19 | 121.3° | 120.7° |
| C12 | C18 | N17 | 118.0° | 118.7° |
| N14 | C15 | N17 | 121.5° | 122.2° |
| N14 | C15 | C16 | 118.7° | 118.9° |
| N19 | C18 | N17 | 120.7° | 120.6° |
| C18 | N19 | C20 | 120.6° | 120.0° |
| C18 | N19 | H25 | 106.6° | 120.0° |
| C18 | N17 | C15 | 122.1° | 120.9° |
| N17 | C15 | C16 | 119.7° | 118.9° |
| C15 | C16 | H22 | 109.5° | 109.5° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| N19 | C20 | C21 | 111.2° | 109.5° |
| N19 | C20 | H9 | 109.0° | 109.5° |
| N19 | C20 | H10 | 109.1° | 109.5° |
| C20 | N19 | H25 | 106.6° | 120.0° |
| C20 | C21 | O25 | 125.2° | 125.8° |
| C20 | C21 | C22 | 126.1° | 125.7° |
| C21 | C20 | H9 | 109.1° | 109.4° |
| C21 | C20 | H10 | 109.0° | 109.5° |
| C21 | O25 | C24 | 109.7° | 109.5° |
| O25 | C21 | C22 | 108.7° | 108.4° |
| O25 | C24 | C23 | 107.9° | 108.4° |
| O25 | C24 | H12 | 126.1° | 125.9° |
| C21 | C22 | C23 | 106.4° | 106.8° |
| C21 | C22 | H11 | 126.8° | 126.6° |
| C24 | C23 | C22 | 107.3° | 106.8° |
| C23 | C24 | H12 | 126.0° | 125.8° |
| C24 | C23 | H26 | 126.3° | 126.5° |
| C23 | C22 | H11 | 126.8° | 126.6° |
| C22 | C23 | H26 | 126.3° | 126.6° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H15 | 109.4° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.4° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H24 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H4 | 120.0° | 119.9° |
| C7 | C6 | C5 | H5 | 120.1° | 120.0° |
| C6 | C7 | N8 | H6 | 120.1° | 120.0° |
| C6 | C7 | N8 | H7 | 120.2° | 120.0° |
| C7 | C6 | C5 | C4 | 55.0° | 57.6° |
| C6 | C7 | N8 | C9 | 56.2° | 61.8° |
| C7 | C6 | C5 | H2 | 65.6° | 177.6° |
| C7 | C6 | C5 | H3 | 175.5° | 62.3° |
| C7 | C6 | H4 | H5 | 119.9° | 120.2° |
| C6 | C7 | H6 | H7 | 119.6° | 120.0° |
| C6 | C7 | N8 | H18 | 64.6° | 62.3° |
| C5 | C6 | C7 | N8 | 54.1° | 59.2° |
| C6 | C5 | C4 | H2 | 120.5° | 120.0° |
| C6 | C5 | C4 | H3 | 120.5° | 119.9° |
| C6 | C5 | C4 | C9 | 53.4° | 57.6° |
| C6 | C5 | C4 | N3 | 177.2° | 177.6° |
| C6 | C5 | C4 | H1 | 60.7° | 62.4° |
| C6 | C5 | H2 | H3 | 118.4° | 120.2° |
| C5 | C6 | H4 | H5 | 119.9° | 120.1° |
| C5 | C6 | C7 | H6 | 174.2° | 179.1° |
| C5 | C6 | C7 | H7 | 66.0° | 60.9° |
| C7 | N8 | C9 | H18 | 120.8° | 124.1° |
| C7 | N8 | C9 | C4 | 55.3° | 61.7° |
| N8 | C7 | C6 | H4 | 174.1° | 60.7° |
| N8 | C7 | C6 | H5 | 65.9° | 179.1° |
| N8 | C7 | H6 | H7 | 119.6° | 120.0° |
| C7 | N8 | C9 | H20 | 175.6° | 58.2° |
| C7 | N8 | C9 | H21 | 65.1° | 178.3° |
| C5 | C4 | C9 | N8 | 51.6° | 59.2° |
| C5 | C4 | C9 | N3 | 128.8° | 119.9° |
| C5 | C4 | C9 | H1 | 114.1° | 120.0° |
| C5 | C4 | N3 | H1 | 116.2° | 120.0° |
| C5 | C4 | N3 | C2 | 55.4° | 120.2° |
| C5 | C4 | N3 | C10 | 123.3° | 59.6° |
| C4 | C5 | H2 | H3 | 118.4° | 120.1° |
| C4 | C5 | C6 | H4 | 175.0° | 62.3° |
| C4 | C5 | C6 | H5 | 65.1° | 177.6° |
| C5 | C4 | C9 | H20 | 172.0° | 60.9° |
| C5 | C4 | C9 | H21 | 68.7° | 179.2° |
| N8 | C9 | C4 | H20 | 120.3° | 120.0° |
| N8 | C9 | C4 | H21 | 120.3° | 120.0° |
| N8 | C9 | C4 | N3 | 179.5° | 179.1° |
| N8 | C9 | C4 | H1 | 62.4° | 60.8° |
| C9 | N8 | C7 | H6 | 176.3° | 178.3° |
| C9 | N8 | C7 | H7 | 63.9° | 58.3° |
| N8 | C9 | H20 | H21 | 119.0° | 120.0° |
| C9 | C4 | N3 | H1 | 116.8° | 120.1° |
| C9 | C4 | N3 | C2 | 71.5° | 120.0° |
| C9 | C4 | N3 | C10 | 109.7° | 60.2° |
| C9 | C4 | C5 | H2 | 67.1° | 177.6° |
| C9 | C4 | C5 | H3 | 174.0° | 62.3° |
| C4 | C9 | N8 | H18 | 65.6° | 62.3° |
| C4 | C9 | H20 | H21 | 119.0° | 119.9° |
| C4 | N3 | C2 | C10 | 178.6° | 179.8° |
| C4 | N3 | C10 | O11 | 0.9° | 5.4° |
| C4 | N3 | C2 | C1 | 98.1° | 95.3° |
| C4 | N3 | C10 | C12 | 178.1° | 174.6° |
| N3 | C4 | C5 | H2 | 62.3° | 62.5° |
| N3 | C4 | C5 | H3 | 56.7° | 57.7° |
| C4 | N3 | C2 | H16 | 22.3° | 24.7° |
| C4 | N3 | C2 | H17 | 141.6° | 144.7° |
| N3 | C4 | C9 | H20 | 59.2° | 59.1° |
| N3 | C4 | C9 | H21 | 60.1° | 60.9° |
| C2 | N3 | C10 | O11 | 179.6° | 174.4° |
| N3 | C2 | C1 | H16 | 120.4° | 120.0° |
| N3 | C2 | C1 | H17 | 120.4° | 120.1° |
| C2 | N3 | C10 | C12 | 0.6° | 5.5° |
| C2 | N3 | C4 | H1 | 171.7° | 0.2° |
| N3 | C2 | C1 | H13 | 180.0° | 180.0° |
| N3 | C2 | C1 | H14 | 60.0° | 60.0° |
| N3 | C2 | C1 | H15 | 60.0° | 59.9° |
| N3 | C2 | H16 | H17 | 118.9° | 120.1° |
| N3 | C10 | O11 | C12 | 179.1° | 179.9° |
| C10 | N3 | C2 | C1 | 83.3° | 84.6° |
| N3 | C10 | C12 | C13 | 81.4° | 53.9° |
| N3 | C10 | C12 | C18 | 101.2° | 126.0° |
| C10 | N3 | C4 | H1 | 7.1° | 179.7° |
| C10 | N3 | C2 | H16 | 156.3° | 155.5° |
| C10 | N3 | C2 | H17 | 37.1° | 35.5° |
| O11 | C10 | C12 | C13 | 97.6° | 126.1° |
| O11 | C10 | C12 | C18 | 79.8° | 53.9° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 119.9° |
| C1 | C2 | H16 | H17 | 118.9° | 119.9° |
| C10 | C12 | C13 | C18 | 177.6° | 180.0° |
| C10 | C12 | C13 | N14 | 179.0° | 180.0° |
| C10 | C12 | C18 | N19 | 2.2° | 0.0° |
| C10 | C12 | C18 | N17 | 178.4° | 180.0° |
| C10 | C12 | C13 | H8 | 1.0° | 0.2° |
| C12 | C13 | N14 | H8 | 180.0° | 179.8° |
| C12 | C13 | N14 | C15 | 1.0° | 0.0° |
| C13 | C12 | C18 | N19 | 179.6° | 180.0° |
| C13 | C12 | C18 | N17 | 0.9° | 0.0° |
| N14 | C13 | C12 | C18 | 1.4° | 0.0° |
| C13 | N14 | C15 | N17 | 0.1° | 0.0° |
| C13 | N14 | C15 | C16 | 179.9° | 180.0° |
| C12 | C18 | N19 | N17 | 179.4° | 179.9° |
| C12 | C18 | N17 | C15 | 0.1° | 0.0° |
| C12 | C18 | N19 | C20 | 166.9° | 175.0° |
| C18 | C12 | C13 | H8 | 178.6° | 179.7° |
| C12 | C18 | N19 | H25 | 45.4° | 5.0° |
| N14 | C15 | N17 | C18 | 0.4° | 0.0° |
| N14 | C15 | N17 | C16 | 179.8° | 180.0° |
| C15 | N14 | C13 | H8 | 179.0° | 179.7° |
| N14 | C15 | C16 | H22 | 0.0° | 90.1° |
| N14 | C15 | C16 | H23 | 120.0° | 30.0° |
| N14 | C15 | C16 | H24 | 120.0° | 150.0° |
| N19 | C18 | N17 | C15 | 179.5° | 179.9° |
| C18 | N19 | C20 | H25 | 121.5° | 180.0° |
| C18 | N19 | C20 | C21 | 177.1° | 180.0° |
| C18 | N19 | C20 | H9 | 56.9° | 60.0° |
| C18 | N19 | C20 | H10 | 62.6° | 60.0° |
| C18 | N17 | C15 | C16 | 179.5° | 180.0° |
| N17 | C18 | N19 | C20 | 13.6° | 5.1° |
| N17 | C18 | N19 | H25 | 135.2° | 174.9° |
| N17 | C15 | C16 | H22 | 179.8° | 89.9° |
| N17 | C15 | C16 | H23 | 60.2° | 150.0° |
| N17 | C15 | C16 | H24 | 59.8° | 30.0° |
| C15 | C16 | H22 | H23 | 120.0° | 120.1° |
| C15 | C16 | H22 | H24 | 120.0° | 120.0° |
| C15 | C16 | H23 | H24 | 120.0° | 120.0° |
| N19 | C20 | C21 | H9 | 120.2° | 120.0° |
| N19 | C20 | C21 | H10 | 120.3° | 120.1° |
| N19 | C20 | C21 | O25 | 91.6° | 90.3° |
| N19 | C20 | C21 | C22 | 88.6° | 90.0° |
| N19 | C20 | H9 | H10 | 119.2° | 120.0° |
| C20 | C21 | O25 | C22 | 179.9° | 179.8° |
| C20 | C21 | O25 | C24 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C21 | C20 | H9 | H10 | 119.2° | 119.9° |
| C20 | C21 | C22 | H11 | 0.2° | 0.0° |
| C21 | C20 | N19 | H25 | 61.3° | 0.0° |
| C21 | O25 | C24 | C23 | 0.2° | 0.4° |
| O25 | C21 | C22 | C23 | 0.3° | 0.2° |
| O25 | C21 | C20 | H9 | 148.2° | 29.8° |
| O25 | C21 | C20 | H10 | 28.7° | 149.7° |
| O25 | C21 | C22 | H11 | 179.7° | 179.8° |
| C21 | O25 | C24 | H12 | 179.8° | 179.9° |
| C24 | O25 | C21 | C22 | 0.1° | 0.4° |
| O25 | C24 | C23 | H12 | 180.0° | 179.7° |
| O25 | C24 | C23 | C22 | 0.4° | 0.3° |
| O25 | C24 | C23 | H26 | 179.6° | 179.7° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C22 | C21 | C20 | H9 | 31.7° | 150.0° |
| C22 | C21 | C20 | H10 | 151.2° | 30.1° |
| C21 | C22 | C23 | H26 | 179.5° | 179.9° |
| C24 | C23 | C22 | H26 | 180.0° | 179.9° |
| C24 | C23 | C22 | H11 | 179.6° | 180.0° |
| C22 | C23 | C24 | H12 | 179.6° | 180.0° |
| H1 | C4 | C5 | H2 | 178.8° | 57.6° |
| H1 | C4 | C5 | H3 | 59.9° | 177.7° |
| H1 | C4 | C9 | H20 | 57.9° | 179.2° |
| H1 | C4 | C9 | H21 | 177.2° | 59.2° |
| H2 | C5 | C6 | H4 | 54.5° | 57.6° |
| H2 | C5 | C6 | H5 | 174.4° | 62.4° |
| H3 | C5 | C6 | H4 | 64.5° | 177.8° |
| H3 | C5 | C6 | H5 | 55.4° | 57.7° |
| H4 | C6 | C7 | H6 | 65.7° | 59.2° |
| H4 | C6 | C7 | H7 | 54.0° | 179.2° |
| H5 | C6 | C7 | H6 | 54.2° | 60.9° |
| H5 | C6 | C7 | H7 | 173.9° | 59.1° |
| H6 | C7 | N8 | H18 | 55.5° | 57.7° |
| H7 | C7 | N8 | H18 | 175.2° | 177.7° |
| H9 | C20 | N19 | H25 | 178.4° | 120.0° |
| H10 | C20 | N19 | H25 | 58.9° | 120.0° |
| H11 | C22 | C23 | H26 | 0.4° | 0.1° |
| H12 | C24 | C23 | H26 | 0.4° | 0.0° |
| H13 | C1 | H14 | H15 | 119.9° | 120.1° |
| H13 | C1 | C2 | H16 | 59.6° | 60.0° |
| H13 | C1 | C2 | H17 | 59.7° | 59.9° |
| H14 | C1 | C2 | H16 | 179.6° | 180.0° |
| H14 | C1 | C2 | H17 | 60.4° | 60.1° |
| H15 | C1 | C2 | H16 | 60.3° | 60.1° |
| H15 | C1 | C2 | H17 | 179.6° | 180.0° |
| H18 | N8 | C9 | H20 | 54.8° | 177.7° |
| H18 | N8 | C9 | H21 | 174.1° | 57.7° |
| H22 | C16 | H23 | H24 | 120.0° | 119.9° |
