V5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.56Å | |
| C06 | N28 | doub | 1.32Å | 1.31Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C02 | N28 | sing | 1.32Å | 1.33Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.45Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | O14 | sing | 1.43Å | 1.41Å | |
| C16 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| O14 | C13 | sing | 1.36Å | 1.40Å | |
| C13 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.41Å | 1.44Å | Aromatic |
| C19 | C25 | sing | 1.42Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.44Å | Aromatic |
| C25 | N24 | doub | 1.34Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| N24 | C22 | sing | 1.32Å | 1.33Å | Aromatic |
| C22 | N23 | sing | 1.39Å | 1.46Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| N01 | H19 | sing | 0.97Å | 1.00Å | |
| N01 | H20 | sing | 0.97Å | 1.00Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å | |
| N23 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 118.2° | 118.5° |
| C04 | C05 | C06 | 119.5° | 119.3° |
| C05 | C04 | H2 | 120.9° | 120.8° |
| C04 | C05 | H3 | 120.2° | 120.3° |
| C04 | C03 | C02 | 118.6° | 119.1° |
| C04 | C03 | H1 | 120.7° | 120.4° |
| C03 | C04 | H2 | 120.9° | 120.7° |
| C18 | C17 | C16 | 119.2° | 120.9° |
| C17 | C18 | C19 | 120.9° | 119.6° |
| C18 | C17 | H13 | 120.4° | 119.5° |
| C17 | C18 | H14 | 119.5° | 120.2° |
| C17 | C16 | C15 | 121.4° | 119.5° |
| C17 | C16 | C26 | 120.0° | 121.1° |
| C16 | C17 | H13 | 120.4° | 119.6° |
| C05 | C06 | C07 | 120.1° | 119.6° |
| C05 | C06 | N28 | 119.8° | 120.8° |
| C06 | C05 | H3 | 120.2° | 120.3° |
| C03 | C02 | N28 | 121.5° | 120.6° |
| C03 | C02 | N01 | 119.6° | 119.7° |
| C02 | C03 | H1 | 120.7° | 120.5° |
| C18 | C19 | C20 | 120.1° | 121.2° |
| C18 | C19 | C25 | 120.0° | 119.6° |
| C19 | C18 | H14 | 119.5° | 120.1° |
| C07 | C06 | N28 | 120.1° | 119.6° |
| C06 | C07 | C08 | 113.3° | 109.5° |
| C06 | C07 | H4 | 108.5° | 109.5° |
| C06 | C07 | H5 | 108.5° | 109.5° |
| C06 | N28 | C02 | 122.3° | 121.6° |
| C07 | C08 | C09 | 107.2° | 109.5° |
| C08 | C07 | H4 | 108.5° | 109.5° |
| C08 | C07 | H5 | 108.5° | 109.4° |
| C07 | C08 | H6 | 110.0° | 109.5° |
| C07 | C08 | H7 | 110.0° | 109.5° |
| N28 | C02 | N01 | 118.9° | 119.7° |
| C02 | N01 | H19 | 109.5° | 120.0° |
| C02 | N01 | H20 | 109.5° | 120.0° |
| C16 | C15 | O14 | 105.5° | 109.5° |
| C15 | C16 | C26 | 118.6° | 119.5° |
| C16 | C15 | H11 | 110.5° | 109.5° |
| C16 | C15 | H12 | 110.5° | 109.5° |
| C15 | O14 | C13 | 115.5° | 117.0° |
| O14 | C15 | H11 | 110.5° | 109.4° |
| O14 | C15 | H12 | 110.5° | 109.5° |
| C16 | C26 | C25 | 121.1° | 119.7° |
| C16 | C26 | H17 | 119.5° | 120.1° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | C10 | 118.2° | 120.0° |
| C12 | C11 | H9 | 120.9° | 120.0° |
| C11 | C12 | H10 | 120.1° | 120.0° |
| C12 | C13 | O14 | 118.2° | 120.1° |
| C12 | C13 | C27 | 122.3° | 119.8° |
| C13 | C12 | H10 | 120.1° | 120.0° |
| C11 | C10 | C09 | 121.8° | 120.1° |
| C11 | C10 | H8 | 119.1° | 119.9° |
| C10 | C11 | H9 | 120.9° | 120.0° |
| O14 | C13 | C27 | 119.5° | 120.1° |
| C13 | C27 | C09 | 117.2° | 120.0° |
| C13 | C27 | H18 | 121.4° | 120.1° |
| C10 | C09 | C27 | 120.6° | 120.0° |
| C10 | C09 | C08 | 120.3° | 120.0° |
| C09 | C10 | H8 | 119.1° | 119.9° |
| C27 | C09 | C08 | 119.1° | 120.0° |
| C09 | C27 | H18 | 121.4° | 119.9° |
| C09 | C08 | H6 | 110.0° | 109.5° |
| C09 | C08 | H7 | 110.0° | 109.5° |
| C20 | C19 | C25 | 119.9° | 119.1° |
| C19 | C20 | C21 | 116.3° | 118.3° |
| C19 | C20 | H15 | 121.9° | 120.9° |
| C19 | C25 | C26 | 118.7° | 119.1° |
| C19 | C25 | N24 | 122.0° | 119.9° |
| C20 | C21 | C22 | 121.3° | 119.8° |
| C21 | C20 | H15 | 121.8° | 120.8° |
| C20 | C21 | H16 | 119.3° | 120.1° |
| C26 | C25 | N24 | 119.3° | 121.0° |
| C25 | C26 | H17 | 119.4° | 120.2° |
| C25 | N24 | C22 | 119.8° | 121.2° |
| C21 | C22 | N24 | 120.6° | 121.6° |
| C21 | C22 | N23 | 121.7° | 119.2° |
| C22 | C21 | H16 | 119.4° | 120.1° |
| N24 | C22 | N23 | 117.7° | 119.2° |
| C22 | N23 | H21 | 109.5° | 120.0° |
| C22 | N23 | H22 | 109.5° | 119.9° |
| H4 | C07 | H5 | 109.4° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H19 | N01 | H20 | 109.5° | 120.0° |
| H21 | N23 | H22 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C06 | C07 | 179.7° | 180.0° |
| C04 | C05 | C06 | N28 | 0.3° | 0.0° |
| C05 | C04 | C03 | H1 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | N28 | 0.2° | 0.0° |
| C04 | C03 | C02 | N01 | 179.4° | 179.7° |
| C03 | C04 | C05 | H3 | 179.9° | 180.0° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.9° | 180.0° |
| C18 | C17 | C16 | C26 | 1.2° | 0.2° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C17 | C18 | C19 | C25 | 2.9° | 0.1° |
| C16 | C17 | C18 | C19 | 1.5° | 0.0° |
| C17 | C16 | C15 | C26 | 178.7° | 179.8° |
| C17 | C16 | C15 | O14 | 148.8° | 89.7° |
| C17 | C16 | C26 | C25 | 2.3° | 0.5° |
| C17 | C16 | C15 | H11 | 29.4° | 30.2° |
| C17 | C16 | C15 | H12 | 91.9° | 150.2° |
| C16 | C17 | C18 | H14 | 178.5° | 180.0° |
| C17 | C16 | C26 | H17 | 177.7° | 179.8° |
| C05 | C06 | C07 | N28 | 179.9° | 179.9° |
| C05 | C06 | C07 | C08 | 131.3° | 125.0° |
| C05 | C06 | N28 | C02 | 0.5° | 0.1° |
| C06 | C05 | C04 | H2 | 179.9° | 180.0° |
| C05 | C06 | C07 | H4 | 108.1° | 115.0° |
| C05 | C06 | C07 | H5 | 10.8° | 5.0° |
| C03 | C02 | N28 | C06 | 0.4° | 0.1° |
| C03 | C02 | N28 | N01 | 179.5° | 179.7° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| C03 | C02 | N01 | H19 | 179.6° | 179.8° |
| C03 | C02 | N01 | H20 | 60.4° | 0.3° |
| C18 | C19 | C20 | C25 | 177.8° | 180.0° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C25 | C26 | 3.8° | 0.3° |
| C18 | C19 | C25 | N24 | 177.6° | 180.0° |
| C19 | C18 | C17 | H13 | 178.5° | 180.0° |
| C18 | C19 | C20 | H15 | 0.1° | 0.0° |
| C06 | C07 | C08 | H4 | 120.6° | 120.0° |
| C06 | C07 | C08 | H5 | 120.6° | 120.0° |
| C07 | C06 | N28 | C02 | 179.6° | 180.0° |
| C06 | C07 | C08 | C09 | 171.4° | NaN° |
| C07 | C06 | C05 | H3 | 0.3° | 0.0° |
| C06 | C07 | H4 | H5 | 118.2° | 120.0° |
| C06 | C07 | C08 | H6 | 69.0° | 60.0° |
| C06 | C07 | C08 | H7 | 51.7° | 60.0° |
| N28 | C06 | C07 | C08 | 48.6° | 54.9° |
| C06 | N28 | C02 | N01 | 179.1° | 179.7° |
| N28 | C06 | C05 | H3 | 179.7° | 179.9° |
| N28 | C06 | C07 | H4 | 72.0° | 65.1° |
| N28 | C06 | C07 | H5 | 169.2° | 174.9° |
| C07 | C08 | C09 | C10 | 113.1° | 90.0° |
| C07 | C08 | C09 | C27 | 65.8° | 90.3° |
| C07 | C08 | C09 | H6 | 119.6° | 120.0° |
| C07 | C08 | C09 | H7 | 119.7° | 120.0° |
| C08 | C07 | H4 | H5 | 118.2° | 120.0° |
| C07 | C08 | H6 | H7 | 121.1° | 120.0° |
| N28 | C02 | C03 | H1 | 179.8° | 180.0° |
| N28 | C02 | N01 | H19 | 0.0° | 0.1° |
| N28 | C02 | N01 | H20 | 120.0° | 180.0° |
| N01 | C02 | C03 | H1 | 0.6° | 0.3° |
| C02 | N01 | H19 | H20 | 120.0° | 179.9° |
| C16 | C15 | O14 | H11 | 119.4° | 120.0° |
| C16 | C15 | O14 | H12 | 119.4° | 120.1° |
| C16 | C15 | O14 | C13 | 171.8° | 180.0° |
| C15 | C16 | C26 | C25 | 179.0° | 179.7° |
| C16 | C15 | H11 | H12 | 121.8° | 120.0° |
| C15 | C16 | C17 | H13 | 0.1° | 0.0° |
| C15 | C16 | C26 | H17 | 1.0° | 0.0° |
| O14 | C15 | C16 | C26 | 32.6° | 90.0° |
| C15 | O14 | C13 | C12 | 29.6° | 0.0° |
| C15 | O14 | C13 | C27 | 150.4° | 179.8° |
| O14 | C15 | H11 | H12 | 121.9° | 120.0° |
| C16 | C26 | C25 | C19 | 3.5° | 0.5° |
| C16 | C26 | C25 | H17 | 180.0° | 179.7° |
| C16 | C26 | C25 | N24 | 177.8° | 179.8° |
| C26 | C16 | C15 | H11 | 151.9° | 150.0° |
| C26 | C16 | C15 | H12 | 86.8° | 30.0° |
| C26 | C16 | C17 | H13 | 178.8° | 179.8° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | O14 | 179.7° | 180.0° |
| C11 | C12 | C13 | C27 | 0.3° | 0.2° |
| C12 | C11 | C10 | C09 | 1.1° | 0.1° |
| C12 | C11 | C10 | H8 | 178.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.1° |
| C12 | C13 | O14 | C27 | 180.0° | 179.9° |
| C12 | C13 | C27 | C09 | 0.6° | 0.5° |
| C13 | C12 | C11 | H9 | 179.5° | 180.0° |
| C12 | C13 | C27 | H18 | 179.3° | 180.0° |
| C11 | C10 | C09 | H8 | 180.0° | 179.9° |
| C11 | C10 | C09 | C27 | 1.5° | 0.2° |
| C11 | C10 | C09 | C08 | 179.7° | 180.0° |
| C10 | C11 | C12 | H10 | 179.5° | 179.9° |
| O14 | C13 | C27 | C09 | 179.4° | 179.7° |
| O14 | C13 | C12 | H10 | 0.2° | 0.0° |
| C13 | O14 | C15 | H11 | 68.8° | 60.0° |
| C13 | O14 | C15 | H12 | 52.4° | 60.0° |
| O14 | C13 | C27 | H18 | 0.6° | 0.1° |
| C13 | C27 | C09 | C10 | 1.2° | 0.5° |
| C13 | C27 | C09 | H18 | 180.0° | 179.5° |
| C13 | C27 | C09 | C08 | 180.0° | 179.7° |
| C27 | C13 | C12 | H10 | 179.7° | 179.8° |
| C10 | C09 | C27 | C08 | 178.8° | 179.8° |
| C10 | C09 | C08 | H6 | 127.3° | 30.0° |
| C10 | C09 | C08 | H7 | 6.6° | 150.0° |
| C09 | C10 | C11 | H9 | 178.9° | 180.0° |
| C10 | C09 | C27 | H18 | 178.8° | 180.0° |
| C27 | C09 | C08 | H6 | 53.9° | 149.8° |
| C27 | C09 | C08 | H7 | 174.6° | 29.8° |
| C27 | C09 | C10 | H8 | 178.5° | 179.7° |
| C09 | C08 | C07 | H4 | 50.8° | 60.0° |
| C09 | C08 | C07 | H5 | 68.0° | 60.0° |
| C09 | C08 | H6 | H7 | 121.0° | 120.0° |
| C08 | C09 | C10 | H8 | 0.3° | 0.1° |
| C08 | C09 | C27 | H18 | 0.1° | 0.2° |
| C19 | C20 | C21 | H15 | 180.0° | 179.9° |
| C20 | C19 | C25 | C26 | 178.4° | 179.7° |
| C20 | C19 | C25 | N24 | 0.2° | 0.1° |
| C19 | C20 | C21 | C22 | 3.0° | 0.0° |
| C20 | C19 | C18 | H14 | 0.6° | 0.0° |
| C19 | C20 | C21 | H16 | 177.0° | 179.9° |
| C25 | C19 | C20 | C21 | 2.3° | 0.0° |
| C19 | C25 | C26 | N24 | 178.7° | 179.7° |
| C19 | C25 | N24 | C22 | 2.1° | 0.1° |
| C25 | C19 | C18 | H14 | 177.2° | 180.0° |
| C25 | C19 | C20 | H15 | 177.7° | 179.9° |
| C19 | C25 | C26 | H17 | 176.5° | 179.8° |
| C20 | C21 | C22 | H16 | 180.0° | 179.9° |
| C20 | C21 | C22 | N24 | 1.2° | 0.0° |
| C20 | C21 | C22 | N23 | 179.2° | 180.0° |
| C26 | C25 | N24 | C22 | 176.5° | 179.7° |
| C25 | N24 | C22 | C21 | 1.4° | 0.0° |
| C25 | N24 | C22 | N23 | 176.6° | 180.0° |
| N24 | C25 | C26 | H17 | 2.2° | 0.1° |
| C21 | C22 | N24 | N23 | 178.0° | 180.0° |
| C22 | C21 | C20 | H15 | 177.0° | 179.9° |
| C21 | C22 | N23 | H21 | 178.0° | 0.0° |
| C21 | C22 | N23 | H22 | 58.0° | 180.0° |
| N24 | C22 | C21 | H16 | 178.8° | 180.0° |
| N24 | C22 | N23 | H21 | 0.0° | 180.0° |
| N24 | C22 | N23 | H22 | 120.0° | 0.0° |
| N23 | C22 | C21 | H16 | 0.9° | 0.1° |
| C22 | N23 | H21 | H22 | 120.0° | 180.0° |
| H1 | C03 | C04 | H2 | 0.0° | 0.0° |
| H2 | C04 | C05 | H3 | 0.1° | 0.1° |
| H4 | C07 | C08 | H6 | 170.4° | 180.0° |
| H4 | C07 | C08 | H7 | 68.9° | 60.0° |
| H5 | C07 | C08 | H6 | 51.6° | 60.0° |
| H5 | C07 | C08 | H7 | 172.3° | 180.0° |
| H8 | C10 | C11 | H9 | 1.2° | 0.1° |
| H9 | C11 | C12 | H10 | 0.5° | 0.0° |
| H13 | C17 | C18 | H14 | 1.5° | 0.0° |
| H15 | C20 | C21 | H16 | 3.0° | 0.0° |
