RK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C20 | sing | 1.89Å | 1.90Å | |
| N4 | C13 | sing | 1.39Å | 1.34Å | |
| N5 | C13 | doub | 1.32Å | 1.36Å | Aromatic |
| N5 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| N6 | C14 | sing | 1.39Å | 1.35Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N7 | sing | 1.32Å | 1.31Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| N7 | C16 | doub | 1.32Å | 1.31Å | Aromatic |
| C15 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C9 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.34Å | |
| C9 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C10 | sing | 1.32Å | 1.32Å | Aromatic |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | doub | 1.37Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C10 | N1 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| N1 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | N2 | doub | 1.30Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C20 | C19 | 122.0° | 119.6° |
| BR1 | C20 | N7 | 113.5° | 119.6° |
| N4 | C13 | N5 | 118.3° | 119.6° |
| N4 | C13 | C12 | 119.7° | 119.6° |
| C13 | N4 | H7 | 109.5° | 120.0° |
| C13 | N4 | H8 | 109.4° | 120.0° |
| C13 | N5 | C14 | 118.5° | 121.8° |
| N5 | C13 | C12 | 122.0° | 120.8° |
| N5 | C14 | N6 | 118.5° | 119.6° |
| N5 | C14 | C15 | 121.9° | 120.8° |
| C13 | C12 | C11 | 119.2° | 119.1° |
| C13 | C12 | H16 | 120.4° | 120.5° |
| N6 | C14 | C15 | 119.6° | 119.6° |
| C14 | N6 | H12 | 109.5° | 120.0° |
| C14 | N6 | H13 | 109.5° | 120.0° |
| C20 | C19 | C18 | 116.2° | 119.3° |
| C19 | C20 | N7 | 124.5° | 120.8° |
| C20 | C19 | H20 | 121.9° | 120.4° |
| C19 | C18 | C17 | 120.3° | 118.5° |
| C19 | C18 | H19 | 119.8° | 120.8° |
| C18 | C19 | H20 | 121.9° | 120.3° |
| C20 | N7 | C16 | 118.8° | 121.6° |
| C14 | C15 | C11 | 119.8° | 119.1° |
| C14 | C15 | H17 | 120.1° | 120.5° |
| C12 | C11 | C15 | 118.5° | 118.3° |
| C12 | C11 | C9 | 121.6° | 120.9° |
| C11 | C12 | H16 | 120.4° | 120.4° |
| C18 | C17 | C16 | 118.0° | 119.2° |
| C18 | C17 | H18 | 121.0° | 120.4° |
| C17 | C18 | H19 | 119.8° | 120.7° |
| N7 | C16 | C17 | 122.2° | 120.6° |
| N7 | C16 | O1 | 108.6° | 119.6° |
| C15 | C11 | C9 | 119.8° | 120.8° |
| C11 | C15 | H17 | 120.1° | 120.4° |
| C11 | C9 | N3 | 116.8° | 119.4° |
| C11 | C9 | C8 | 121.4° | 119.4° |
| C17 | C16 | O1 | 129.1° | 119.7° |
| C16 | C17 | H18 | 121.0° | 120.4° |
| C16 | O1 | C2 | 119.4° | 117.0° |
| N3 | C9 | C8 | 121.7° | 121.1° |
| C9 | N3 | C10 | 115.9° | 121.4° |
| C9 | C8 | C7 | 120.8° | 119.6° |
| C9 | C8 | H15 | 119.6° | 120.2° |
| N3 | C10 | N1 | 128.3° | 133.8° |
| N3 | C10 | C6 | 126.1° | 120.4° |
| O1 | C2 | C3 | 108.9° | 109.5° |
| O1 | C2 | C1 | 108.0° | 109.5° |
| O1 | C2 | H4 | 109.2° | 109.4° |
| C8 | C7 | C6 | 117.7° | 118.3° |
| C8 | C7 | H14 | 121.1° | 120.8° |
| C7 | C8 | H15 | 119.6° | 120.2° |
| C2 | C3 | N1 | 110.9° | 109.5° |
| C3 | C2 | C1 | 114.2° | 109.5° |
| C3 | C2 | H4 | 108.2° | 109.4° |
| C2 | C3 | H5 | 109.1° | 109.4° |
| C2 | C3 | H6 | 109.1° | 109.5° |
| C3 | N1 | C10 | 123.5° | 126.3° |
| C3 | N1 | C4 | 127.1° | 126.3° |
| N1 | C3 | H5 | 109.1° | 109.5° |
| N1 | C3 | H6 | 109.1° | 109.5° |
| N1 | C10 | C6 | 105.5° | 105.8° |
| C10 | N1 | C4 | 107.9° | 107.4° |
| C10 | C6 | C7 | 117.8° | 119.1° |
| C10 | C6 | N2 | 109.6° | 107.1° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.2° | 109.5° |
| N1 | C4 | N2 | 111.4° | 110.1° |
| N1 | C4 | C5 | 122.4° | 125.0° |
| C7 | C6 | N2 | 132.6° | 133.7° |
| C6 | C7 | H14 | 121.2° | 120.8° |
| C6 | N2 | C4 | 105.1° | 109.5° |
| N2 | C4 | C5 | 126.0° | 124.9° |
| C4 | C5 | H9 | 109.5° | 109.4° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C4 | C5 | H11 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | N4 | H8 | 109.5° | 120.0° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | N6 | H13 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C20 | C19 | N7 | 179.5° | 180.0° |
| BR1 | C20 | C19 | C18 | 178.9° | 180.0° |
| BR1 | C20 | N7 | C16 | 179.4° | 179.9° |
| BR1 | C20 | C19 | H20 | 1.2° | 0.1° |
| N4 | C13 | N5 | C12 | 178.7° | 180.0° |
| N4 | C13 | N5 | C14 | 178.7° | 180.0° |
| N4 | C13 | C12 | C11 | 179.7° | 180.0° |
| C13 | N4 | H7 | H8 | 120.0° | 180.0° |
| N4 | C13 | C12 | H16 | 0.3° | 0.0° |
| C13 | N5 | C14 | N6 | 179.6° | 180.0° |
| C13 | N5 | C14 | C15 | 0.8° | 0.1° |
| N5 | C13 | C12 | C11 | 1.6° | 0.0° |
| N5 | C13 | N4 | H7 | 0.0° | 0.0° |
| N5 | C13 | N4 | H8 | 120.0° | 180.0° |
| N5 | C13 | C12 | H16 | 178.4° | 180.0° |
| C14 | N5 | C13 | C12 | 0.0° | 0.1° |
| N5 | C14 | N6 | C15 | 178.8° | 179.9° |
| N5 | C14 | C15 | C11 | 0.1° | 0.0° |
| N5 | C14 | N6 | H12 | 0.0° | 0.0° |
| N5 | C14 | N6 | H13 | 120.0° | 180.0° |
| N5 | C14 | C15 | H17 | 179.9° | 180.0° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | C15 | 2.2° | 0.0° |
| C13 | C12 | C11 | C9 | 178.3° | 180.0° |
| C12 | C13 | N4 | H7 | 178.7° | 179.9° |
| C12 | C13 | N4 | H8 | 61.3° | 0.0° |
| N6 | C14 | C15 | C11 | 178.9° | 180.0° |
| C14 | N6 | H12 | H13 | 120.0° | 180.0° |
| N6 | C14 | C15 | H17 | 1.1° | 0.0° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | N7 | C16 | 0.2° | 0.0° |
| C20 | C19 | C18 | H19 | 179.8° | 179.9° |
| C18 | C19 | C20 | N7 | 0.7° | 0.0° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.7° | 0.0° |
| C19 | C18 | C17 | H18 | 179.3° | 180.0° |
| C20 | N7 | C16 | C17 | 0.8° | 0.1° |
| C20 | N7 | C16 | O1 | 176.1° | 180.0° |
| N7 | C20 | C19 | H20 | 179.3° | 179.9° |
| C14 | C15 | C11 | C12 | 1.5° | 0.0° |
| C14 | C15 | C11 | H17 | 180.0° | 180.0° |
| C14 | C15 | C11 | C9 | 177.6° | 180.0° |
| C15 | C14 | N6 | H12 | 178.9° | 180.0° |
| C15 | C14 | N6 | H13 | 61.1° | 0.1° |
| C12 | C11 | C15 | C9 | 176.1° | 180.0° |
| C12 | C11 | C9 | N3 | 5.4° | 0.0° |
| C12 | C11 | C9 | C8 | 178.4° | 179.7° |
| C12 | C11 | C15 | H17 | 178.5° | 180.0° |
| C18 | C17 | C16 | N7 | 1.2° | 0.1° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | O1 | 175.5° | 180.0° |
| C17 | C18 | C19 | H20 | 179.8° | 179.9° |
| N7 | C16 | C17 | O1 | 174.3° | 179.9° |
| N7 | C16 | O1 | C2 | 136.1° | 0.0° |
| N7 | C16 | C17 | H18 | 178.8° | 180.0° |
| C15 | C11 | C9 | N3 | 170.6° | 180.0° |
| C15 | C11 | C9 | C8 | 5.6° | 0.3° |
| C15 | C11 | C12 | H16 | 177.7° | 180.0° |
| C11 | C9 | N3 | C8 | 176.2° | 179.7° |
| C11 | C9 | N3 | C10 | 178.1° | 180.0° |
| C11 | C9 | C8 | C7 | 177.6° | 179.6° |
| C11 | C9 | C8 | H15 | 2.4° | 0.3° |
| C9 | C11 | C12 | H16 | 1.7° | 0.0° |
| C9 | C11 | C15 | H17 | 2.4° | 0.1° |
| C17 | C16 | O1 | C2 | 49.0° | 180.0° |
| C16 | C17 | C18 | H19 | 179.4° | 180.0° |
| C16 | O1 | C2 | C3 | 93.0° | 150.0° |
| C16 | O1 | C2 | C1 | 142.5° | 90.0° |
| C16 | O1 | C2 | H4 | 25.1° | 30.0° |
| O1 | C16 | C17 | H18 | 4.5° | 0.0° |
| N3 | C9 | C8 | C7 | 1.6° | 0.7° |
| C9 | N3 | C10 | N1 | 175.0° | 180.0° |
| C9 | N3 | C10 | C6 | 0.9° | 0.0° |
| N3 | C9 | C8 | H15 | 178.4° | 179.9° |
| C8 | C9 | N3 | C10 | 2.0° | 0.3° |
| C9 | C8 | C7 | H15 | 180.0° | 179.3° |
| C9 | C8 | C7 | C6 | 0.1° | 0.7° |
| C9 | C8 | C7 | H14 | 180.0° | 179.2° |
| N3 | C10 | N1 | C3 | 10.7° | 0.3° |
| N3 | C10 | N1 | C6 | 176.5° | 180.0° |
| N3 | C10 | N1 | C4 | 177.9° | 180.0° |
| N3 | C10 | C6 | C7 | 0.6° | 0.1° |
| N3 | C10 | C6 | N2 | 179.7° | 179.7° |
| O1 | C2 | C3 | C1 | 120.8° | 120.0° |
| O1 | C2 | C3 | H4 | 118.6° | 119.9° |
| O1 | C2 | C3 | N1 | 152.3° | 65.0° |
| O1 | C2 | C1 | H4 | 118.1° | 120.0° |
| O1 | C2 | C1 | H1 | 180.0° | 60.0° |
| O1 | C2 | C1 | H2 | 60.0° | 60.0° |
| O1 | C2 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H5 | 87.5° | 55.1° |
| O1 | C2 | C3 | H6 | 32.1° | 175.0° |
| C8 | C7 | C6 | C10 | 1.0° | 0.5° |
| C8 | C7 | C6 | H14 | 180.0° | 180.0° |
| C8 | C7 | C6 | N2 | 179.4° | 179.9° |
| C2 | C3 | N1 | H5 | 120.2° | 120.0° |
| C2 | C3 | N1 | H6 | 120.2° | 120.0° |
| C2 | C3 | N1 | C10 | 74.2° | 90.3° |
| C3 | C2 | C1 | H4 | 120.6° | 120.0° |
| C2 | C3 | N1 | C4 | 90.5° | 90.0° |
| C3 | C2 | C1 | H1 | 58.7° | 180.0° |
| C3 | C2 | C1 | H2 | 178.7° | 60.0° |
| C3 | C2 | C1 | H3 | 61.3° | 60.0° |
| C2 | C3 | H5 | H6 | 119.4° | 119.9° |
| C3 | N1 | C10 | C4 | 167.2° | 179.7° |
| C3 | N1 | C10 | C6 | 172.8° | 179.7° |
| N1 | C3 | C2 | C1 | 86.9° | 175.0° |
| C3 | N1 | C4 | N2 | 173.0° | 180.0° |
| C3 | N1 | C4 | C5 | 10.7° | 0.0° |
| N1 | C3 | C2 | H4 | 33.6° | 55.0° |
| N1 | C3 | H5 | H6 | 119.4° | 120.0° |
| N1 | C10 | C6 | C7 | 177.2° | 179.9° |
| N1 | C10 | C6 | N2 | 3.1° | 0.3° |
| C10 | N1 | C4 | N2 | 6.4° | 0.3° |
| C10 | N1 | C4 | C5 | 177.3° | 179.8° |
| C10 | N1 | C3 | H5 | 165.6° | 29.7° |
| C10 | N1 | C3 | H6 | 46.0° | 149.7° |
| C6 | C10 | N1 | C4 | 5.6° | 0.0° |
| C10 | C6 | C7 | N2 | 179.6° | 179.5° |
| C10 | C6 | N2 | C4 | 0.7° | 0.5° |
| C10 | C6 | C7 | H14 | 179.0° | 179.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 33.3° | 65.0° |
| C1 | C2 | C3 | H6 | 152.9° | 55.0° |
| N1 | C4 | N2 | C6 | 4.3° | 0.5° |
| N1 | C4 | N2 | C5 | 176.1° | 179.9° |
| C4 | N1 | C3 | H5 | 29.7° | 150.0° |
| C4 | N1 | C3 | H6 | 149.3° | 30.0° |
| N1 | C4 | C5 | H9 | 175.8° | 90.0° |
| N1 | C4 | C5 | H10 | 64.2° | 150.0° |
| N1 | C4 | C5 | H11 | 55.7° | 29.9° |
| C7 | C6 | N2 | C4 | 179.0° | 180.0° |
| C6 | C7 | C8 | H15 | 180.0° | 180.0° |
| C6 | N2 | C4 | C5 | 179.5° | 179.6° |
| N2 | C6 | C7 | H14 | 0.6° | 0.0° |
| N2 | C4 | C5 | H9 | 0.0° | 90.1° |
| N2 | C4 | C5 | H10 | 120.0° | 29.9° |
| N2 | C4 | C5 | H11 | 120.0° | 150.0° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| C4 | C5 | H9 | H11 | 120.0° | 119.9° |
| C4 | C5 | H10 | H11 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 61.9° | 60.0° |
| H2 | C1 | C2 | H4 | 58.1° | 180.0° |
| H3 | C1 | C2 | H4 | 178.1° | 60.0° |
| H4 | C2 | C3 | H5 | 153.8° | 175.0° |
| H4 | C2 | C3 | H6 | 86.6° | 65.1° |
| H9 | C5 | H10 | H11 | 120.0° | 120.1° |
| H14 | C7 | C8 | H15 | 0.0° | 0.0° |
| H18 | C17 | C18 | H19 | 0.6° | 0.0° |
| H19 | C18 | C19 | H20 | 0.2° | 0.0° |
