V4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | N24 | sing | 1.32Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| N24 | C19 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | O10 | sing | 1.43Å | 1.44Å | |
| C06 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.56Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C26 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | O10 | sing | 1.36Å | 1.47Å | |
| C11 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | N17 | sing | 1.47Å | 1.44Å | |
| N17 | C16 | sing | 1.47Å | 1.47Å | |
| C15 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C05 | C04 | doub | 1.41Å | 1.43Å | Aromatic |
| C05 | C27 | sing | 1.42Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.36Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.44Å | Aromatic |
| C27 | N28 | doub | 1.34Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| N28 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.45Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| N01 | H20 | sing | 0.97Å | 1.00Å | |
| N01 | H21 | sing | 0.97Å | 1.00Å | |
| N17 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 118.6° | 119.2° |
| C22 | C23 | N24 | 123.1° | 120.8° |
| C23 | C22 | H16 | 120.7° | 120.4° |
| C22 | C23 | H17 | 118.5° | 119.6° |
| C22 | C21 | C20 | 116.5° | 118.4° |
| C22 | C21 | H15 | 121.8° | 120.8° |
| C21 | C22 | H16 | 120.7° | 120.4° |
| C23 | N24 | C19 | 119.2° | 121.7° |
| N24 | C23 | H17 | 118.5° | 119.6° |
| C21 | C20 | C19 | 125.1° | 119.1° |
| C21 | C20 | H14 | 117.4° | 120.5° |
| C20 | C21 | H15 | 121.8° | 120.7° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C13 | C12 | H7 | 120.2° | 120.0° |
| C12 | C13 | H8 | 120.0° | 120.0° |
| C13 | C14 | C15 | 121.3° | 120.1° |
| C14 | C13 | H8 | 120.0° | 120.0° |
| C13 | C14 | H9 | 119.3° | 120.0° |
| C06 | C07 | C08 | 120.4° | 120.9° |
| C07 | C06 | C05 | 120.7° | 119.6° |
| C07 | C06 | H3 | 119.6° | 120.3° |
| C06 | C07 | H4 | 119.8° | 119.5° |
| C07 | C08 | C09 | 117.9° | 119.5° |
| C07 | C08 | C26 | 119.8° | 121.0° |
| C08 | C07 | H4 | 119.8° | 119.6° |
| C12 | C11 | O10 | 125.0° | 120.1° |
| C12 | C11 | C25 | 118.0° | 119.9° |
| C11 | C12 | H7 | 120.2° | 120.0° |
| N24 | C19 | C20 | 117.5° | 120.8° |
| N24 | C19 | C18 | 122.1° | 119.6° |
| C20 | C19 | C18 | 120.5° | 119.6° |
| C19 | C20 | H14 | 117.4° | 120.4° |
| C08 | C09 | O10 | 110.3° | 109.5° |
| C09 | C08 | C26 | 122.2° | 119.5° |
| C08 | C09 | H5 | 109.3° | 109.5° |
| C08 | C09 | H6 | 109.3° | 109.5° |
| C09 | O10 | C11 | 119.6° | 117.0° |
| O10 | C09 | H5 | 109.3° | 109.4° |
| O10 | C09 | H6 | 109.3° | 109.5° |
| C06 | C05 | C04 | 120.3° | 121.2° |
| C06 | C05 | C27 | 119.5° | 119.6° |
| C05 | C06 | H3 | 119.7° | 120.2° |
| C19 | C18 | N17 | 107.7° | 109.4° |
| C19 | C18 | H12 | 109.9° | 109.5° |
| C19 | C18 | H13 | 109.9° | 109.5° |
| C14 | C15 | C25 | 117.4° | 120.1° |
| C14 | C15 | C16 | 124.0° | 120.0° |
| C15 | C14 | H9 | 119.4° | 119.9° |
| C08 | C26 | C27 | 119.4° | 119.7° |
| C08 | C26 | H19 | 120.3° | 120.1° |
| O10 | C11 | C25 | 117.0° | 120.0° |
| C11 | C25 | C15 | 123.6° | 119.9° |
| C11 | C25 | H18 | 118.2° | 120.0° |
| C18 | N17 | C16 | 110.3° | 111.0° |
| N17 | C18 | H12 | 109.9° | 109.5° |
| N17 | C18 | H13 | 109.9° | 109.4° |
| C18 | N17 | H22 | 109.3° | 111.0° |
| N17 | C16 | C15 | 111.0° | 109.4° |
| N17 | C16 | H10 | 109.1° | 109.5° |
| N17 | C16 | H11 | 109.1° | 109.5° |
| C16 | N17 | H22 | 109.3° | 111.0° |
| C25 | C15 | C16 | 118.5° | 119.9° |
| C15 | C25 | H18 | 118.2° | 120.1° |
| C15 | C16 | H10 | 109.1° | 109.5° |
| C15 | C16 | H11 | 109.1° | 109.5° |
| C04 | C05 | C27 | 120.2° | 119.2° |
| C05 | C04 | C03 | 118.5° | 118.3° |
| C05 | C04 | H2 | 120.8° | 120.9° |
| C05 | C27 | C26 | 120.1° | 119.1° |
| C05 | C27 | N28 | 119.5° | 119.9° |
| C04 | C03 | C02 | 119.8° | 119.9° |
| C04 | C03 | H1 | 120.1° | 120.1° |
| C03 | C04 | H2 | 120.7° | 120.9° |
| C26 | C27 | N28 | 120.4° | 121.0° |
| C27 | C26 | H19 | 120.3° | 120.1° |
| C27 | N28 | C02 | 122.2° | 121.3° |
| C03 | C02 | N28 | 119.7° | 121.5° |
| C03 | C02 | N01 | 123.0° | 119.2° |
| C02 | C03 | H1 | 120.1° | 120.0° |
| N28 | C02 | N01 | 117.2° | 119.3° |
| C02 | N01 | H20 | 109.5° | 120.0° |
| C02 | N01 | H21 | 109.5° | 120.0° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H20 | N01 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H16 | 180.0° | 179.8° |
| C22 | C23 | N24 | H17 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C22 | C23 | N24 | C19 | 0.8° | 0.4° |
| C23 | C22 | C21 | H15 | 179.8° | 180.0° |
| C21 | C22 | C23 | N24 | 0.1° | 0.1° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.1° | 0.0° |
| C22 | C21 | C20 | H14 | 178.9° | 179.9° |
| C21 | C22 | C23 | H17 | 179.8° | 180.0° |
| C23 | N24 | C19 | C20 | 1.6° | 0.5° |
| C23 | N24 | C19 | C18 | 179.3° | 179.8° |
| N24 | C23 | C22 | H16 | 179.9° | 180.0° |
| C21 | C20 | C19 | N24 | 1.8° | 0.2° |
| C21 | C20 | C19 | H14 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 179.1° | 180.0° |
| C20 | C21 | C22 | H16 | 179.8° | 179.8° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.9° | 0.1° |
| C13 | C12 | C11 | O10 | 179.3° | 180.0° |
| C13 | C12 | C11 | C25 | 0.1° | 0.3° |
| C12 | C13 | C14 | H9 | 178.1° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.1° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C13 | C14 | C15 | C25 | 2.2° | 0.3° |
| C13 | C14 | C15 | C16 | 179.2° | 179.9° |
| C14 | C13 | C12 | H7 | 179.1° | 179.9° |
| C06 | C07 | C08 | H4 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 179.0° | 180.0° |
| C07 | C06 | C05 | H3 | 180.0° | 179.9° |
| C06 | C07 | C08 | C26 | 2.6° | 0.1° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C05 | C27 | 1.5° | 0.1° |
| C07 | C08 | C09 | C26 | 178.4° | 180.0° |
| C07 | C08 | C09 | O10 | 157.2° | 90.1° |
| C08 | C07 | C06 | C05 | 1.6° | 0.1° |
| C07 | C08 | C26 | C27 | 0.6° | 0.1° |
| C08 | C07 | C06 | H3 | 178.4° | 180.0° |
| C07 | C08 | C09 | H5 | 37.1° | 150.0° |
| C07 | C08 | C09 | H6 | 82.6° | 30.0° |
| C07 | C08 | C26 | H19 | 179.4° | 180.0° |
| C12 | C11 | O10 | C09 | 4.6° | 0.3° |
| C12 | C11 | O10 | C25 | 179.5° | 179.7° |
| C12 | C11 | C25 | C15 | 0.4° | 0.5° |
| C11 | C12 | C13 | H8 | 179.2° | 179.9° |
| C12 | C11 | C25 | H18 | 179.6° | 179.7° |
| N24 | C19 | C20 | C18 | 179.1° | 179.7° |
| N24 | C19 | C18 | N17 | 172.4° | 85.3° |
| N24 | C19 | C18 | H12 | 67.9° | 34.7° |
| N24 | C19 | C18 | H13 | 52.7° | 154.8° |
| N24 | C19 | C20 | H14 | 178.2° | 179.8° |
| C19 | N24 | C23 | H17 | 179.1° | 179.7° |
| C20 | C19 | C18 | N17 | 6.6° | 95.0° |
| C20 | C19 | C18 | H12 | 113.1° | 145.0° |
| C20 | C19 | C18 | H13 | 126.3° | 24.9° |
| C19 | C20 | C21 | H15 | 178.9° | 179.9° |
| C08 | C09 | O10 | H5 | 120.1° | 120.0° |
| C08 | C09 | O10 | H6 | 120.1° | 120.0° |
| C08 | C09 | O10 | C11 | 176.2° | 180.0° |
| C09 | C08 | C26 | C27 | 179.0° | 180.0° |
| C09 | C08 | C07 | H4 | 1.0° | 0.1° |
| C08 | C09 | H5 | H6 | 119.6° | 120.1° |
| C09 | C08 | C26 | H19 | 1.0° | 0.0° |
| O10 | C09 | C08 | C26 | 21.1° | 90.0° |
| C09 | O10 | C11 | C25 | 175.9° | 180.0° |
| O10 | C09 | H5 | H6 | 119.7° | 120.0° |
| C06 | C05 | C04 | C27 | 178.4° | 179.9° |
| C06 | C05 | C04 | C03 | 179.1° | 179.9° |
| C06 | C05 | C27 | C26 | 3.5° | 0.1° |
| C06 | C05 | C27 | N28 | 178.3° | 179.8° |
| C06 | C05 | C04 | H2 | 0.9° | 0.1° |
| C05 | C06 | C07 | H4 | 178.4° | 180.0° |
| C19 | C18 | N17 | H12 | 119.7° | 120.0° |
| C19 | C18 | N17 | H13 | 119.7° | 120.0° |
| C19 | C18 | N17 | C16 | 164.2° | 180.0° |
| C19 | C18 | H12 | H13 | 120.8° | 120.0° |
| C18 | C19 | C20 | H14 | 0.9° | 0.1° |
| C19 | C18 | N17 | H22 | 44.0° | 56.1° |
| C14 | C15 | C25 | C11 | 1.4° | 0.5° |
| C14 | C15 | C16 | N17 | 60.8° | 90.0° |
| C14 | C15 | C25 | C16 | 177.2° | 179.8° |
| C15 | C14 | C13 | H8 | 178.1° | 179.9° |
| C14 | C15 | C16 | H10 | 179.0° | 150.0° |
| C14 | C15 | C16 | H11 | 59.4° | 30.0° |
| C14 | C15 | C25 | H18 | 178.6° | 179.7° |
| C08 | C26 | C27 | C05 | 2.5° | 0.1° |
| C08 | C26 | C27 | H19 | 180.0° | 179.9° |
| C08 | C26 | C27 | N28 | 179.3° | 179.7° |
| C26 | C08 | C07 | H4 | 177.4° | 180.0° |
| C26 | C08 | C09 | H5 | 141.3° | 29.9° |
| C26 | C08 | C09 | H6 | 99.0° | 150.0° |
| O10 | C11 | C25 | C15 | 179.0° | 179.8° |
| C11 | O10 | C09 | H5 | 63.7° | 60.0° |
| C11 | O10 | C09 | H6 | 56.1° | 60.0° |
| O10 | C11 | C12 | H7 | 0.7° | 0.1° |
| O10 | C11 | C25 | H18 | 0.9° | 0.0° |
| C11 | C25 | C15 | H18 | 180.0° | 179.8° |
| C11 | C25 | C15 | C16 | 178.6° | 179.7° |
| C25 | C11 | C12 | H7 | 179.9° | 179.8° |
| C18 | N17 | C16 | H22 | 120.1° | 123.9° |
| C18 | N17 | C16 | C15 | 85.4° | 180.0° |
| C18 | N17 | C16 | H10 | 34.8° | 60.0° |
| C18 | N17 | C16 | H11 | 154.4° | 60.0° |
| N17 | C18 | H12 | H13 | 120.8° | 120.0° |
| N17 | C16 | C15 | C25 | 116.2° | 89.8° |
| N17 | C16 | C15 | H10 | 120.2° | 120.0° |
| N17 | C16 | C15 | H11 | 120.2° | 120.0° |
| N17 | C16 | H10 | H11 | 119.3° | 120.0° |
| C16 | N17 | C18 | H12 | 76.1° | 60.0° |
| C16 | N17 | C18 | H13 | 44.4° | 60.0° |
| C25 | C15 | C14 | H9 | 177.8° | 179.7° |
| C25 | C15 | C16 | H10 | 4.0° | 30.2° |
| C25 | C15 | C16 | H11 | 123.6° | 150.3° |
| C16 | C15 | C14 | H9 | 0.8° | 0.0° |
| C15 | C16 | H10 | H11 | 119.3° | 120.0° |
| C16 | C15 | C25 | H18 | 1.4° | 0.1° |
| C15 | C16 | N17 | H22 | 154.5° | 56.1° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C04 | C05 | C27 | C26 | 178.1° | 180.0° |
| C04 | C05 | C27 | N28 | 0.1° | 0.4° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H1 | 179.9° | 179.9° |
| C04 | C05 | C06 | H3 | 0.1° | 0.1° |
| C27 | C05 | C04 | C03 | 0.6° | 0.0° |
| C05 | C27 | C26 | N28 | 178.2° | 179.7° |
| C05 | C27 | N28 | C02 | 1.8° | 0.6° |
| C27 | C05 | C04 | H2 | 179.4° | 180.0° |
| C27 | C05 | C06 | H3 | 178.5° | 180.0° |
| C05 | C27 | C26 | H19 | 177.5° | 180.0° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | N28 | 1.7° | 0.3° |
| C04 | C03 | C02 | N01 | 178.4° | 180.0° |
| C26 | C27 | N28 | C02 | 176.4° | 179.7° |
| C27 | N28 | C02 | C03 | 2.5° | 0.6° |
| C27 | N28 | C02 | N01 | 179.5° | 179.7° |
| N28 | C27 | C26 | H19 | 0.7° | 0.3° |
| C03 | C02 | N28 | N01 | 176.9° | 179.7° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| C03 | C02 | N01 | H20 | 176.8° | 0.0° |
| C03 | C02 | N01 | H21 | 63.2° | 180.0° |
| N28 | C02 | C03 | H1 | 178.3° | 179.7° |
| N28 | C02 | N01 | H20 | 0.0° | 179.7° |
| N28 | C02 | N01 | H21 | 120.0° | 0.3° |
| N01 | C02 | C03 | H1 | 1.6° | 0.0° |
| C02 | N01 | H20 | H21 | 120.0° | 180.0° |
| H1 | C03 | C04 | H2 | 0.1° | 0.1° |
| H3 | C06 | C07 | H4 | 1.6° | 0.1° |
| H7 | C12 | C13 | H8 | 0.8° | 0.1° |
| H8 | C13 | C14 | H9 | 1.9° | 0.0° |
| H10 | C16 | N17 | H22 | 85.3° | 63.9° |
| H11 | C16 | N17 | H22 | 34.2° | 176.1° |
| H12 | C18 | N17 | H22 | 163.7° | 176.1° |
| H13 | C18 | N17 | H22 | 75.7° | 63.9° |
| H14 | C20 | C21 | H15 | 1.1° | 0.0° |
| H15 | C21 | C22 | H16 | 0.2° | 0.2° |
| H16 | C22 | C23 | H17 | 0.2° | 0.2° |
