IK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C22 | doub | 1.41Å | 1.39Å | Aromatic |
| C12 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C8 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N2 | C13 | sing | 1.37Å | 1.33Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | N5 | sing | 1.35Å | 1.38Å | Aromatic |
| C4 | N5 | doub | 1.31Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | N4 | doub | 1.31Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| N6 | C24 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C17 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 118.2° | 120.2° |
| C11 | C10 | C9 | 122.7° | 120.5° |
| C11 | C10 | H4 | 118.7° | 119.8° |
| C10 | C11 | H15 | 120.9° | 119.9° |
| C11 | C12 | N2 | 129.8° | 133.7° |
| C11 | C12 | C19 | 120.5° | 120.1° |
| C12 | C11 | H15 | 120.9° | 119.9° |
| C10 | C9 | C8 | 120.3° | 119.8° |
| C10 | C9 | C20 | 118.3° | 120.3° |
| C9 | C10 | H4 | 118.6° | 119.8° |
| C7 | C6 | C5 | 118.4° | 120.1° |
| C6 | C7 | C8 | 122.5° | 120.5° |
| C7 | C6 | H2 | 120.8° | 119.9° |
| C6 | C7 | H3 | 118.8° | 119.8° |
| C6 | C5 | N1 | 130.8° | 133.7° |
| C6 | C5 | C22 | 119.8° | 120.1° |
| C5 | C6 | H2 | 120.8° | 119.9° |
| C7 | C8 | C9 | 121.9° | 119.8° |
| C7 | C8 | C21 | 118.1° | 120.3° |
| C8 | C7 | H3 | 118.7° | 119.8° |
| N1 | C5 | C22 | 109.4° | 106.2° |
| C5 | N1 | C4 | 105.0° | 107.2° |
| C5 | N1 | H1 | 127.5° | 126.4° |
| C5 | C22 | C21 | 121.7° | 119.4° |
| C5 | C22 | N5 | 105.8° | 107.2° |
| N2 | C12 | C19 | 109.7° | 106.2° |
| C12 | N2 | C13 | 105.3° | 107.2° |
| C12 | N2 | H16 | 127.3° | 126.4° |
| C12 | C19 | C20 | 121.0° | 119.4° |
| C12 | C19 | N4 | 105.5° | 107.2° |
| C9 | C8 | C21 | 119.9° | 119.9° |
| C8 | C9 | C20 | 121.3° | 119.9° |
| C8 | C21 | C22 | 119.4° | 119.6° |
| C8 | C21 | H8 | 120.3° | 120.2° |
| C9 | C20 | C19 | 119.4° | 119.6° |
| C9 | C20 | H7 | 120.3° | 120.2° |
| N1 | C4 | N5 | 112.4° | 109.8° |
| N1 | C4 | C3 | 125.4° | 125.1° |
| C4 | N1 | H1 | 127.5° | 126.3° |
| N2 | C13 | N4 | 112.5° | 109.8° |
| N2 | C13 | C14 | 122.6° | 125.1° |
| C13 | N2 | H16 | 127.4° | 126.3° |
| C21 | C22 | N5 | 132.5° | 133.4° |
| C22 | C21 | H8 | 120.3° | 120.2° |
| C22 | N5 | C4 | 107.3° | 109.6° |
| N5 | C4 | C3 | 122.1° | 125.1° |
| C4 | C3 | C2 | 122.2° | 121.0° |
| C4 | C3 | C23 | 120.4° | 120.9° |
| C20 | C19 | N4 | 133.5° | 133.4° |
| C19 | C20 | H7 | 120.3° | 120.2° |
| C19 | N4 | C13 | 106.9° | 109.6° |
| C16 | C15 | C14 | 119.4° | 119.0° |
| C15 | C16 | N3 | 123.5° | 120.9° |
| C16 | C15 | H5 | 120.3° | 120.5° |
| C15 | C16 | H13 | 118.2° | 119.5° |
| C15 | C14 | C13 | 120.8° | 120.9° |
| C15 | C14 | C18 | 117.3° | 118.1° |
| C14 | C15 | H5 | 120.3° | 120.5° |
| N4 | C13 | C14 | 124.5° | 125.1° |
| C13 | C14 | C18 | 121.4° | 121.0° |
| C3 | C2 | C1 | 119.1° | 119.0° |
| C2 | C3 | C23 | 117.3° | 118.1° |
| C3 | C2 | H11 | 120.4° | 120.5° |
| C2 | C1 | N6 | 124.0° | 120.9° |
| C1 | C2 | H11 | 120.5° | 120.5° |
| C2 | C1 | H12 | 118.0° | 119.6° |
| C3 | C23 | C24 | 119.5° | 119.0° |
| C3 | C23 | H10 | 120.2° | 120.5° |
| C1 | N6 | C24 | 116.4° | 122.0° |
| N6 | C1 | H12 | 118.0° | 119.5° |
| C23 | C24 | N6 | 123.5° | 120.9° |
| C23 | C24 | H9 | 118.2° | 119.6° |
| C24 | C23 | H10 | 120.3° | 120.5° |
| C16 | N3 | C17 | 116.6° | 122.1° |
| N3 | C16 | H13 | 118.2° | 119.6° |
| C14 | C18 | C17 | 119.2° | 119.0° |
| C14 | C18 | H14 | 120.4° | 120.5° |
| N6 | C24 | H9 | 118.2° | 119.6° |
| N3 | C17 | C18 | 123.9° | 120.9° |
| N3 | C17 | H6 | 118.1° | 119.6° |
| C18 | C17 | H6 | 118.1° | 119.6° |
| C17 | C18 | H14 | 120.4° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 180.0° | 179.8° |
| C10 | C11 | C12 | N2 | 179.1° | 179.5° |
| C10 | C11 | C12 | C19 | 0.4° | 0.5° |
| C11 | C10 | C9 | C8 | 178.7° | 179.8° |
| C11 | C10 | C9 | C20 | 1.4° | 0.2° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C11 | C12 | N2 | C19 | 179.5° | 179.1° |
| C11 | C12 | N2 | C13 | 178.4° | 179.1° |
| C11 | C12 | C19 | C20 | 0.4° | 0.8° |
| C11 | C12 | C19 | N4 | 179.9° | 179.7° |
| C12 | C11 | C10 | H4 | 179.5° | 179.7° |
| C11 | C12 | N2 | H16 | 1.6° | 0.8° |
| C10 | C9 | C8 | C7 | 30.3° | 180.0° |
| C10 | C9 | C8 | C20 | 177.2° | 180.0° |
| C10 | C9 | C8 | C21 | 146.4° | 0.1° |
| C10 | C9 | C20 | C19 | 1.3° | 0.0° |
| C10 | C9 | C20 | H7 | 178.7° | 180.0° |
| C9 | C10 | C11 | H15 | 179.4° | 180.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | N1 | 179.8° | 180.0° |
| C7 | C6 | C5 | C22 | 0.6° | 0.0° |
| C6 | C7 | C8 | C9 | 177.4° | 180.0° |
| C6 | C7 | C8 | C21 | 0.7° | 0.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | N1 | C22 | 179.7° | 180.0° |
| C6 | C5 | N1 | C4 | 179.7° | 180.0° |
| C6 | C5 | C22 | C21 | 0.5° | 0.0° |
| C6 | C5 | C22 | N5 | 180.0° | 180.0° |
| C6 | C5 | N1 | H1 | 0.3° | 0.3° |
| C5 | C6 | C7 | H3 | 179.5° | 180.0° |
| C7 | C8 | C9 | C21 | 176.7° | 179.9° |
| C7 | C8 | C9 | C20 | 152.5° | 0.0° |
| C7 | C8 | C21 | C22 | 1.8° | 0.0° |
| C8 | C7 | C6 | H2 | 179.5° | 180.0° |
| C7 | C8 | C21 | H8 | 178.2° | 180.0° |
| C5 | N1 | C4 | H1 | 180.0° | 179.7° |
| N1 | C5 | C22 | C21 | 179.2° | 180.0° |
| N1 | C5 | C22 | N5 | 0.3° | 0.0° |
| C5 | N1 | C4 | N5 | 0.7° | 0.0° |
| C5 | N1 | C4 | C3 | 177.3° | 179.7° |
| N1 | C5 | C6 | H2 | 0.2° | 0.0° |
| C5 | C22 | C21 | C8 | 1.8° | 0.0° |
| C22 | C5 | N1 | C4 | 0.6° | 0.0° |
| C5 | C22 | C21 | N5 | 179.3° | 180.0° |
| C5 | C22 | N5 | C4 | 0.1° | 0.0° |
| C22 | C5 | N1 | H1 | 179.4° | 179.7° |
| C22 | C5 | C6 | H2 | 179.4° | 180.0° |
| C5 | C22 | C21 | H8 | 178.3° | 180.0° |
| C12 | N2 | C13 | H16 | 180.0° | 179.9° |
| N2 | C12 | C19 | C20 | 179.1° | 180.0° |
| N2 | C12 | C19 | N4 | 0.4° | 0.4° |
| C12 | N2 | C13 | N4 | 3.0° | 0.4° |
| C12 | N2 | C13 | C14 | 176.4° | 179.7° |
| N2 | C12 | C11 | H15 | 0.9° | 0.5° |
| C12 | C19 | C20 | C9 | 0.5° | 0.5° |
| C19 | C12 | N2 | C13 | 2.1° | 0.0° |
| C12 | C19 | C20 | N4 | 179.4° | 179.5° |
| C12 | C19 | N4 | C13 | 1.4° | 0.7° |
| C12 | C19 | C20 | H7 | 179.5° | 179.5° |
| C19 | C12 | C11 | H15 | 179.6° | 179.5° |
| C19 | C12 | N2 | H16 | 177.9° | 179.9° |
| C9 | C8 | C21 | C22 | 178.6° | 180.0° |
| C8 | C9 | C20 | C19 | 178.6° | 180.0° |
| C9 | C8 | C7 | H3 | 2.6° | 0.1° |
| C8 | C9 | C10 | H4 | 1.3° | 0.0° |
| C8 | C9 | C20 | H7 | 1.4° | 0.0° |
| C9 | C8 | C21 | H8 | 1.4° | 0.1° |
| C21 | C8 | C9 | C20 | 30.8° | 180.0° |
| C8 | C21 | C22 | H8 | 180.0° | 180.0° |
| C8 | C21 | C22 | N5 | 178.9° | 180.0° |
| C21 | C8 | C7 | H3 | 179.3° | 180.0° |
| C9 | C20 | C19 | H7 | 180.0° | 180.0° |
| C9 | C20 | C19 | N4 | 178.9° | 180.0° |
| C20 | C9 | C10 | H4 | 178.6° | 180.0° |
| N1 | C4 | N5 | C22 | 0.5° | 0.0° |
| N1 | C4 | N5 | C3 | 176.7° | 179.8° |
| N1 | C4 | C3 | C2 | 28.3° | 180.0° |
| N1 | C4 | C3 | C23 | 147.7° | 0.1° |
| N2 | C13 | N4 | C19 | 2.9° | 0.7° |
| N2 | C13 | C14 | C15 | 18.4° | 179.3° |
| N2 | C13 | N4 | C14 | 173.2° | 179.3° |
| N2 | C13 | C14 | C18 | 152.9° | 0.7° |
| C21 | C22 | N5 | C4 | 179.5° | 179.9° |
| C22 | N5 | C4 | C3 | 177.3° | 179.7° |
| N5 | C22 | C21 | H8 | 1.0° | 0.0° |
| N5 | C4 | C3 | C2 | 155.4° | 0.3° |
| N5 | C4 | C3 | C23 | 28.6° | 179.8° |
| N5 | C4 | N1 | H1 | 179.3° | 179.7° |
| C4 | C3 | C2 | C23 | 176.1° | 179.9° |
| C4 | C3 | C2 | C1 | 180.0° | 179.8° |
| C4 | C3 | C23 | C24 | 179.3° | 179.9° |
| C3 | C4 | N1 | H1 | 2.7° | 0.1° |
| C4 | C3 | C23 | H10 | 0.7° | 0.1° |
| C4 | C3 | C2 | H11 | 0.0° | 0.1° |
| C20 | C19 | N4 | C13 | 179.2° | 179.8° |
| C19 | N4 | C13 | C14 | 176.1° | 180.0° |
| N4 | C19 | C20 | H7 | 1.1° | 0.1° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 175.5° | 179.9° |
| C15 | C16 | N3 | H13 | 180.0° | 179.9° |
| C16 | C15 | C14 | C18 | 3.8° | 0.0° |
| C15 | C16 | N3 | C17 | 0.1° | 0.1° |
| C15 | C14 | C13 | N4 | 169.1° | 0.0° |
| C15 | C14 | C13 | C18 | 171.3° | 179.9° |
| C14 | C15 | C16 | N3 | 2.1° | 0.1° |
| C15 | C14 | C18 | C17 | 3.5° | 0.1° |
| C14 | C15 | C16 | H13 | 177.9° | 180.0° |
| C15 | C14 | C18 | H14 | 176.5° | 179.9° |
| N4 | C13 | C14 | C18 | 19.7° | 179.9° |
| N4 | C13 | N2 | H16 | 176.9° | 179.6° |
| C13 | C14 | C18 | C17 | 175.1° | 180.0° |
| C13 | C14 | C15 | H5 | 4.5° | 0.0° |
| C13 | C14 | C18 | H14 | 4.9° | 0.2° |
| C14 | C13 | N2 | H16 | 3.6° | 0.3° |
| C3 | C2 | C1 | H11 | 180.0° | 179.7° |
| C3 | C2 | C1 | N6 | 2.7° | 0.3° |
| C2 | C3 | C23 | C24 | 3.1° | 0.0° |
| C2 | C3 | C23 | H10 | 176.9° | 180.0° |
| C3 | C2 | C1 | H12 | 177.3° | 180.0° |
| C1 | C2 | C3 | C23 | 3.8° | 0.3° |
| C2 | C1 | N6 | H12 | 180.0° | 179.7° |
| C2 | C1 | N6 | C24 | 0.6° | 0.0° |
| C3 | C23 | C24 | H10 | 180.0° | 180.0° |
| C3 | C23 | C24 | N6 | 1.1° | 0.3° |
| C3 | C23 | C24 | H9 | 178.9° | 179.9° |
| C23 | C3 | C2 | H11 | 176.2° | 180.0° |
| C1 | N6 | C24 | C23 | 0.2° | 0.4° |
| C1 | N6 | C24 | H9 | 179.8° | 180.0° |
| N6 | C1 | C2 | H11 | 177.3° | 180.0° |
| C23 | C24 | N6 | H9 | 180.0° | 179.6° |
| C16 | N3 | C17 | C18 | 0.5° | 0.0° |
| N3 | C16 | C15 | H5 | 177.9° | 180.0° |
| C16 | N3 | C17 | H6 | 179.5° | 179.9° |
| C14 | C18 | C17 | N3 | 1.4° | 0.1° |
| C14 | C18 | C17 | H14 | 180.0° | 179.8° |
| C18 | C14 | C15 | H5 | 176.2° | 179.9° |
| C14 | C18 | C17 | H6 | 178.6° | 180.0° |
| N6 | C24 | C23 | H10 | 178.9° | 179.7° |
| C24 | N6 | C1 | H12 | 179.4° | 179.7° |
| N3 | C17 | C18 | H6 | 180.0° | 180.0° |
| C17 | N3 | C16 | H13 | 179.9° | 179.9° |
| N3 | C17 | C18 | H14 | 178.6° | 179.9° |
| H2 | C6 | C7 | H3 | 0.5° | 0.0° |
| H4 | C10 | C11 | H15 | 0.6° | 0.2° |
| H5 | C15 | C16 | H13 | 2.1° | 0.1° |
| H6 | C17 | C18 | H14 | 1.4° | 0.1° |
| H9 | C24 | C23 | H10 | 1.1° | 0.1° |
| H11 | C2 | C1 | H12 | 2.7° | 0.3° |
