N4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| O03 | C13 | sing | 1.36Å | 1.41Å | |
| O03 | C25 | sing | 1.43Å | 1.40Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C02 | sing | 1.48Å | 1.39Å | |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| N01 | C02 | sing | 1.34Å | 1.32Å | Aromatic |
| N01 | C09 | doub | 1.32Å | 1.35Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.43Å | Aromatic |
| C09 | N04 | sing | 1.37Å | 1.32Å | Aromatic |
| C03 | N04 | sing | 1.37Å | 1.37Å | Aromatic |
| C08 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| N04 | C05 | sing | 1.36Å | 1.35Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C05 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | C16 | sing | 1.48Å | 1.36Å | |
| C04 | O02 | sing | 1.43Å | 1.39Å | |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| O02 | C20 | sing | 1.36Å | 1.41Å | |
| C20 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C18 | O01 | sing | 1.36Å | 1.47Å | |
| O01 | C01 | sing | 1.43Å | 1.42Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 121.2° | 120.0° |
| C12 | C11 | C10 | 117.1° | 120.0° |
| C11 | C12 | H1 | 119.4° | 120.0° |
| C12 | C11 | H13 | 121.5° | 120.0° |
| C12 | C13 | O03 | 124.6° | 119.9° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C13 | C12 | H1 | 119.4° | 120.0° |
| C13 | O03 | C25 | 114.7° | 117.0° |
| O03 | C13 | C14 | 115.4° | 119.9° |
| O03 | C25 | H18 | 109.5° | 109.5° |
| O03 | C25 | H19 | 109.4° | 109.5° |
| O03 | C25 | H20 | 109.4° | 109.5° |
| C11 | C10 | C15 | 120.4° | 119.8° |
| C11 | C10 | C02 | 132.3° | 120.0° |
| C10 | C11 | H13 | 121.5° | 120.0° |
| C13 | C14 | C15 | 119.2° | 120.0° |
| C13 | C14 | H2 | 120.4° | 120.0° |
| C15 | C10 | C02 | 107.3° | 120.1° |
| C10 | C15 | C14 | 122.1° | 120.0° |
| C10 | C15 | H14 | 119.0° | 120.0° |
| C10 | C02 | N01 | 120.5° | 125.9° |
| C10 | C02 | C03 | 130.9° | 125.8° |
| C15 | C14 | H2 | 120.4° | 120.0° |
| C14 | C15 | H14 | 119.0° | 120.0° |
| C02 | N01 | C09 | 109.0° | 109.2° |
| N01 | C02 | C03 | 108.6° | 108.3° |
| N01 | C09 | C08 | 128.1° | 131.9° |
| N01 | C09 | N04 | 107.5° | 108.3° |
| C02 | C03 | N04 | 104.2° | 107.1° |
| C02 | C03 | H6 | 127.9° | 126.5° |
| C08 | C09 | N04 | 124.4° | 119.8° |
| C09 | C08 | C07 | 117.3° | 119.5° |
| C09 | C08 | H12 | 121.3° | 120.3° |
| C09 | N04 | C03 | 110.7° | 107.2° |
| C09 | N04 | C05 | 119.2° | 120.5° |
| C03 | N04 | C05 | 130.1° | 132.3° |
| N04 | C03 | H6 | 127.9° | 126.4° |
| C08 | C07 | C06 | 117.0° | 119.6° |
| C08 | C07 | H11 | 121.5° | 120.1° |
| C07 | C08 | H12 | 121.4° | 120.3° |
| N04 | C05 | C06 | 119.6° | 120.5° |
| N04 | C05 | H10 | 120.2° | 119.7° |
| C07 | C06 | C05 | 122.6° | 120.0° |
| C07 | C06 | C16 | 121.8° | 120.0° |
| C06 | C07 | H11 | 121.5° | 120.2° |
| C05 | C06 | C16 | 115.7° | 120.0° |
| C06 | C05 | H10 | 120.2° | 119.7° |
| C06 | C16 | C21 | 127.3° | 120.0° |
| C06 | C16 | C17 | 105.4° | 120.1° |
| C04 | O02 | C20 | 111.8° | 117.0° |
| O02 | C04 | H7 | 109.5° | 109.5° |
| O02 | C04 | H8 | 109.5° | 109.5° |
| O02 | C04 | H9 | 109.5° | 109.5° |
| C16 | C21 | C20 | 113.4° | 119.9° |
| C21 | C16 | C17 | 127.3° | 119.9° |
| C16 | C21 | H16 | 123.3° | 120.1° |
| C21 | C20 | O02 | 117.0° | 120.0° |
| C21 | C20 | C19 | 119.4° | 120.1° |
| C20 | C21 | H16 | 123.3° | 120.0° |
| C16 | C17 | C18 | 122.2° | 119.9° |
| C16 | C17 | H15 | 118.9° | 120.0° |
| O02 | C20 | C19 | 123.6° | 119.9° |
| C20 | C19 | C18 | 126.5° | 120.1° |
| C20 | C19 | H17 | 116.7° | 119.9° |
| C17 | C18 | C19 | 111.1° | 120.1° |
| C17 | C18 | O01 | 120.8° | 120.0° |
| C18 | C17 | H15 | 118.9° | 120.1° |
| C19 | C18 | O01 | 128.1° | 120.0° |
| C18 | C19 | H17 | 116.7° | 119.9° |
| C18 | O01 | C01 | 127.7° | 117.0° |
| O01 | C01 | H3 | 109.5° | 109.4° |
| O01 | C01 | H4 | 109.5° | 109.4° |
| O01 | C01 | H5 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.4° | 109.4° |
| H7 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H1 | 180.0° | 179.7° |
| C11 | C12 | C13 | O03 | 179.7° | 180.0° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.0° |
| C12 | C11 | C10 | C02 | 179.5° | 180.0° |
| C12 | C13 | O03 | C14 | 179.6° | 179.9° |
| C12 | C13 | O03 | C25 | 158.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H2 | 179.8° | 180.0° |
| C13 | C12 | C11 | H13 | 179.8° | 180.0° |
| O03 | C13 | C14 | C15 | 179.8° | 180.0° |
| O03 | C13 | C12 | H1 | 0.3° | 0.3° |
| O03 | C13 | C14 | H2 | 0.2° | 0.1° |
| C13 | O03 | C25 | H18 | 180.0° | 60.0° |
| C13 | O03 | C25 | H19 | 60.0° | 60.0° |
| C13 | O03 | C25 | H20 | 60.0° | 180.0° |
| C25 | O03 | C13 | C14 | 21.9° | 0.1° |
| O03 | C25 | H18 | H19 | 120.0° | 120.0° |
| O03 | C25 | H18 | H20 | 120.0° | 120.0° |
| O03 | C25 | H19 | H20 | 120.0° | 120.0° |
| C11 | C10 | C15 | C02 | 179.2° | 180.0° |
| C11 | C10 | C15 | C14 | 0.6° | 0.1° |
| C11 | C10 | C02 | N01 | 96.6° | 0.0° |
| C11 | C10 | C02 | C03 | 82.4° | 180.0° |
| C10 | C11 | C12 | H1 | 179.7° | 179.8° |
| C11 | C10 | C15 | H14 | 179.4° | 180.0° |
| C13 | C14 | C15 | C10 | 0.4° | 0.1° |
| C13 | C14 | C15 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | H1 | 179.9° | 179.8° |
| C13 | C14 | C15 | H14 | 179.6° | 180.0° |
| C10 | C15 | C14 | H14 | 180.0° | 179.9° |
| C15 | C10 | C02 | N01 | 84.3° | 180.0° |
| C15 | C10 | C02 | C03 | 96.7° | 0.0° |
| C10 | C15 | C14 | H2 | 179.6° | 180.0° |
| C15 | C10 | C11 | H13 | 179.5° | 179.9° |
| C02 | C10 | C15 | C14 | 179.8° | 180.0° |
| C10 | C02 | N01 | C03 | 179.2° | 180.0° |
| C10 | C02 | N01 | C09 | 179.5° | 180.0° |
| C10 | C02 | C03 | N04 | 179.4° | 180.0° |
| C10 | C02 | C03 | H6 | 0.6° | 0.3° |
| C02 | C10 | C11 | H13 | 0.5° | 0.0° |
| C02 | C10 | C15 | H14 | 0.2° | 0.0° |
| C02 | N01 | C09 | C08 | 179.9° | 179.6° |
| C02 | N01 | C09 | N04 | 0.1° | 0.0° |
| N01 | C02 | C03 | N04 | 0.3° | 0.0° |
| N01 | C02 | C03 | H6 | 179.7° | 179.7° |
| C09 | N01 | C02 | C03 | 0.3° | 0.0° |
| N01 | C09 | C08 | N04 | 179.9° | 179.6° |
| N01 | C09 | N04 | C03 | 0.1° | 0.0° |
| N01 | C09 | C08 | C07 | 179.8° | 179.9° |
| N01 | C09 | N04 | C05 | 179.9° | 179.8° |
| N01 | C09 | C08 | H12 | 0.2° | 0.2° |
| C02 | C03 | N04 | C09 | 0.3° | 0.0° |
| C02 | C03 | N04 | H6 | 180.0° | 179.7° |
| C02 | C03 | N04 | C05 | 179.7° | 179.8° |
| C08 | C09 | N04 | C03 | 179.9° | 179.7° |
| C09 | C08 | C07 | H12 | 180.0° | 179.7° |
| C08 | C09 | N04 | C05 | 0.1° | 0.5° |
| C09 | C08 | C07 | C06 | 0.3° | 0.3° |
| C09 | C08 | C07 | H11 | 179.7° | 179.7° |
| C09 | N04 | C03 | C05 | 180.0° | 179.8° |
| N04 | C09 | C08 | C07 | 0.2° | 0.5° |
| C09 | N04 | C05 | C06 | 0.3° | 0.3° |
| C09 | N04 | C03 | H6 | 179.7° | 179.7° |
| C09 | N04 | C05 | H10 | 179.7° | 179.8° |
| N04 | C09 | C08 | H12 | 179.7° | 179.8° |
| C03 | N04 | C05 | C06 | 179.6° | 179.9° |
| C03 | N04 | C05 | H10 | 0.3° | 0.0° |
| C08 | C07 | C06 | H11 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.1° |
| C08 | C07 | C06 | C16 | 179.6° | 180.0° |
| N04 | C05 | C06 | C07 | 0.3° | 0.1° |
| N04 | C05 | C06 | H10 | 180.0° | 180.0° |
| N04 | C05 | C06 | C16 | 180.0° | 180.0° |
| C05 | N04 | C03 | H6 | 0.3° | 0.1° |
| C07 | C06 | C05 | C16 | 179.7° | 179.9° |
| C07 | C06 | C16 | C21 | 64.2° | 65.0° |
| C07 | C06 | C16 | C17 | 117.8° | 115.0° |
| C07 | C06 | C05 | H10 | 179.7° | 180.0° |
| C06 | C07 | C08 | H12 | 179.7° | 180.0° |
| C05 | C06 | C16 | C21 | 116.1° | 115.1° |
| C05 | C06 | C16 | C17 | 61.9° | 64.9° |
| C05 | C06 | C07 | H11 | 180.0° | 179.9° |
| C06 | C16 | C21 | C17 | 177.6° | 180.0° |
| C06 | C16 | C21 | C20 | 178.6° | 179.5° |
| C06 | C16 | C17 | C18 | 178.9° | 180.0° |
| C16 | C06 | C05 | H10 | 0.0° | 0.1° |
| C16 | C06 | C07 | H11 | 0.4° | 0.0° |
| C06 | C16 | C17 | H15 | 1.1° | 0.2° |
| C06 | C16 | C21 | H16 | 1.5° | 0.0° |
| C04 | O02 | C20 | C21 | 25.8° | 179.4° |
| C04 | O02 | C20 | C19 | 154.1° | 0.1° |
| O02 | C04 | H7 | H8 | 120.0° | 120.0° |
| O02 | C04 | H7 | H9 | 120.0° | 120.1° |
| O02 | C04 | H8 | H9 | 120.0° | 120.0° |
| C16 | C21 | C20 | H16 | 180.0° | 179.5° |
| C16 | C21 | C20 | O02 | 179.7° | 179.7° |
| C16 | C21 | C20 | C19 | 0.5° | 0.8° |
| C21 | C16 | C17 | C18 | 0.9° | 0.0° |
| C21 | C16 | C17 | H15 | 179.1° | 179.7° |
| C20 | C21 | C16 | C17 | 1.0° | 0.5° |
| C21 | C20 | O02 | C19 | 179.8° | 179.5° |
| C21 | C20 | C19 | C18 | 0.1° | 0.5° |
| C21 | C20 | C19 | H17 | 179.9° | 179.9° |
| C16 | C17 | C18 | H15 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | O01 | 178.6° | 179.7° |
| C17 | C16 | C21 | H16 | 179.0° | 180.0° |
| O02 | C20 | C19 | C18 | 179.7° | 180.0° |
| C20 | O02 | C04 | H7 | 180.0° | 180.0° |
| C20 | O02 | C04 | H8 | 60.0° | 60.0° |
| C20 | O02 | C04 | H9 | 60.0° | 59.9° |
| O02 | C20 | C21 | H16 | 0.3° | 0.2° |
| O02 | C20 | C19 | H17 | 0.3° | 0.6° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H17 | 180.0° | 179.4° |
| C20 | C19 | C18 | O01 | 179.0° | 180.0° |
| C19 | C20 | C21 | H16 | 179.5° | 179.7° |
| C17 | C18 | C19 | O01 | 178.7° | 180.0° |
| C17 | C18 | O01 | C01 | 32.2° | 180.0° |
| C17 | C18 | C19 | H17 | 179.7° | 179.4° |
| C19 | C18 | O01 | C01 | 149.2° | 0.0° |
| C19 | C18 | C17 | H15 | 179.8° | 180.0° |
| C18 | O01 | C01 | H3 | 180.0° | 180.0° |
| C18 | O01 | C01 | H4 | 60.0° | 60.0° |
| C18 | O01 | C01 | H5 | 60.0° | 60.0° |
| O01 | C18 | C17 | H15 | 1.4° | 0.0° |
| O01 | C18 | C19 | H17 | 1.0° | 0.6° |
| O01 | C01 | H3 | H4 | 120.0° | 119.9° |
| O01 | C01 | H3 | H5 | 120.0° | 120.0° |
| O01 | C01 | H4 | H5 | 120.0° | 120.0° |
| H1 | C12 | C11 | H13 | 0.3° | 0.2° |
| H2 | C14 | C15 | H14 | 0.4° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.1° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H11 | C07 | C08 | H12 | 0.3° | 0.0° |
| H18 | C25 | H19 | H20 | 120.0° | 120.0° |
