RK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C13 | sing | 1.39Å | 1.35Å | |
| N5 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C14 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N7 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C14 | sing | 1.39Å | 1.35Å | |
| N7 | C16 | sing | 1.32Å | 1.32Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.36Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C9 | sing | 1.48Å | 1.48Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.43Å | 1.47Å | |
| C9 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| N3 | C10 | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | C7 | doub | 1.37Å | 1.37Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C10 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C6 | doub | 1.41Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.36Å | 1.40Å | 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 | |
| C20 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C13 | N5 | 117.9° | 119.6° |
| N4 | C13 | C12 | 120.9° | 119.6° |
| C13 | N4 | H7 | 109.5° | 120.0° |
| C13 | N4 | H8 | 109.5° | 120.0° |
| C13 | N5 | C14 | 119.6° | 121.8° |
| N5 | C13 | C12 | 121.1° | 120.8° |
| N5 | C14 | N6 | 118.2° | 119.6° |
| N5 | C14 | C15 | 121.5° | 120.8° |
| C13 | C12 | C11 | 119.5° | 119.1° |
| C13 | C12 | H16 | 120.2° | 120.5° |
| N7 | C20 | C19 | 123.0° | 120.8° |
| C20 | N7 | C16 | 117.9° | 121.7° |
| N7 | C20 | H21 | 118.5° | 119.6° |
| C20 | C19 | C18 | 117.9° | 119.3° |
| C20 | C19 | H20 | 121.0° | 120.4° |
| C19 | C20 | H21 | 118.5° | 119.5° |
| N6 | C14 | C15 | 120.3° | 119.6° |
| C14 | N6 | H12 | 109.5° | 119.9° |
| C14 | N6 | H13 | 109.4° | 120.0° |
| N7 | C16 | O1 | 116.0° | 119.8° |
| N7 | C16 | C17 | 123.1° | 120.6° |
| C14 | C15 | C11 | 119.9° | 119.2° |
| C14 | C15 | H17 | 120.1° | 120.4° |
| C19 | C18 | C17 | 120.2° | 118.5° |
| C19 | C18 | H19 | 119.9° | 120.7° |
| C18 | C19 | H20 | 121.0° | 120.4° |
| C12 | C11 | C15 | 118.3° | 118.3° |
| C12 | C11 | C9 | 121.5° | 120.8° |
| C11 | C12 | H16 | 120.3° | 120.4° |
| C15 | C11 | C9 | 120.1° | 120.9° |
| C11 | C15 | H17 | 120.0° | 120.4° |
| O1 | C16 | C17 | 120.8° | 119.6° |
| C16 | O1 | C2 | 121.4° | 117.0° |
| C16 | C17 | C18 | 117.9° | 119.1° |
| C16 | C17 | H18 | 121.1° | 120.4° |
| C11 | C9 | N3 | 116.6° | 119.5° |
| C11 | C9 | C8 | 122.0° | 119.4° |
| C18 | C17 | H18 | 121.1° | 120.5° |
| C17 | C18 | H19 | 119.9° | 120.8° |
| O1 | C2 | C1 | 111.2° | 109.5° |
| O1 | C2 | C3 | 112.8° | 109.5° |
| O1 | C2 | H4 | 110.2° | 109.4° |
| N3 | C9 | C8 | 121.4° | 121.1° |
| C9 | N3 | C10 | 116.9° | 121.4° |
| C9 | C8 | C7 | 120.0° | 119.6° |
| C9 | C8 | H15 | 120.0° | 120.2° |
| C1 | C2 | C3 | 102.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.7° | 109.5° |
| C2 | C3 | N1 | 113.7° | 109.5° |
| C3 | C2 | H4 | 110.0° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.4° |
| N3 | C10 | N1 | 128.7° | 133.8° |
| N3 | C10 | C6 | 125.5° | 120.4° |
| C8 | C7 | C6 | 118.1° | 118.4° |
| C8 | C7 | H14 | 120.9° | 120.8° |
| C7 | C8 | H15 | 120.0° | 120.2° |
| C3 | N1 | C10 | 125.7° | 126.3° |
| C3 | N1 | C4 | 126.1° | 126.3° |
| N1 | C3 | H5 | 108.4° | 109.5° |
| N1 | C3 | H6 | 108.4° | 109.5° |
| N1 | C10 | C6 | 105.7° | 105.8° |
| C10 | N1 | C4 | 107.8° | 107.4° |
| C10 | C6 | C7 | 118.0° | 119.2° |
| C10 | C6 | N2 | 109.5° | 107.1° |
| N1 | C4 | N2 | 111.6° | 110.1° |
| N1 | C4 | C5 | 122.7° | 125.0° |
| C7 | C6 | N2 | 132.5° | 133.8° |
| C6 | C7 | H14 | 121.0° | 120.8° |
| C6 | N2 | C4 | 105.4° | 109.6° |
| N2 | C4 | C5 | 125.7° | 125.0° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H7 | N4 | H8 | 109.4° | 120.0° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H12 | N6 | H13 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C13 | N5 | C12 | 176.6° | 179.9° |
| N4 | C13 | N5 | C14 | 178.4° | 180.0° |
| N4 | C13 | C12 | C11 | 179.6° | 180.0° |
| C13 | N4 | H7 | H8 | 120.0° | 179.9° |
| N4 | C13 | C12 | H16 | 0.4° | 0.1° |
| C13 | N5 | C14 | N6 | 178.1° | 180.0° |
| C13 | N5 | C14 | C15 | 0.2° | 0.0° |
| N5 | C13 | C12 | C11 | 3.1° | 0.0° |
| N5 | C13 | N4 | H7 | 0.0° | 0.1° |
| N5 | C13 | N4 | H8 | 120.0° | 180.0° |
| N5 | C13 | C12 | H16 | 176.9° | 180.0° |
| C14 | N5 | C13 | C12 | 1.8° | 0.0° |
| N5 | C14 | N6 | C15 | 177.9° | 180.0° |
| N5 | C14 | C15 | C11 | 1.0° | 0.0° |
| N5 | C14 | N6 | H12 | 0.0° | 0.0° |
| N5 | C14 | N6 | H13 | 120.0° | 179.9° |
| N5 | C14 | C15 | H17 | 179.0° | 180.0° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | C15 | 2.3° | 0.0° |
| C13 | C12 | C11 | C9 | 179.9° | 180.0° |
| C12 | C13 | N4 | H7 | 176.6° | 180.0° |
| C12 | C13 | N4 | H8 | 63.4° | 0.1° |
| N7 | C20 | C19 | H21 | 180.0° | 179.9° |
| N7 | C20 | C19 | C18 | 0.8° | 0.0° |
| C20 | N7 | C16 | O1 | 176.6° | 180.0° |
| C20 | N7 | C16 | C17 | 0.5° | 0.0° |
| N7 | C20 | C19 | H20 | 179.2° | 180.0° |
| C19 | C20 | N7 | C16 | 0.7° | 0.1° |
| C20 | C19 | C18 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H19 | 179.7° | 180.0° |
| N6 | C14 | C15 | C11 | 178.8° | 180.0° |
| C14 | N6 | H12 | H13 | 120.0° | 180.0° |
| N6 | C14 | C15 | H17 | 1.2° | 0.1° |
| N7 | C16 | O1 | C17 | 177.2° | 180.0° |
| N7 | C16 | C17 | C18 | 1.5° | 0.0° |
| N7 | C16 | O1 | C2 | 128.6° | 0.0° |
| N7 | C16 | C17 | H18 | 178.5° | 179.9° |
| C16 | N7 | C20 | H21 | 179.3° | 180.0° |
| C14 | C15 | C11 | C12 | 0.3° | 0.0° |
| C14 | C15 | C11 | H17 | 180.0° | 179.9° |
| C14 | C15 | C11 | C9 | 178.2° | 180.0° |
| C15 | C14 | N6 | H12 | 177.9° | 180.0° |
| C15 | C14 | N6 | H13 | 62.1° | 0.0° |
| C19 | C18 | C17 | C16 | 1.3° | 0.1° |
| C19 | C18 | C17 | H19 | 180.0° | 179.9° |
| C19 | C18 | C17 | H18 | 178.7° | 180.0° |
| C18 | C19 | C20 | H21 | 179.2° | 180.0° |
| C12 | C11 | C15 | C9 | 177.8° | 180.0° |
| C12 | C11 | C9 | N3 | 12.3° | 0.0° |
| C12 | C11 | C9 | C8 | 166.9° | 179.7° |
| C12 | C11 | C15 | H17 | 179.7° | 180.0° |
| C15 | C11 | C9 | N3 | 165.4° | 180.0° |
| C15 | C11 | C9 | C8 | 15.4° | 0.3° |
| C15 | C11 | C12 | H16 | 177.7° | 180.0° |
| O1 | C16 | C17 | C18 | 175.5° | 180.0° |
| C16 | O1 | C2 | C1 | 178.2° | 90.0° |
| C16 | O1 | C2 | C3 | 67.2° | 150.0° |
| C16 | O1 | C2 | H4 | 56.3° | 30.0° |
| O1 | C16 | C17 | H18 | 4.5° | 0.1° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C16 | O1 | C2 | 54.2° | 180.0° |
| C16 | C17 | C18 | H19 | 178.6° | 180.0° |
| C11 | C9 | N3 | C8 | 179.2° | 179.7° |
| C11 | C9 | N3 | C10 | 177.1° | 180.0° |
| C11 | C9 | C8 | C7 | 177.4° | 179.6° |
| C11 | C9 | C8 | H15 | 2.7° | 0.3° |
| C9 | C11 | C12 | H16 | 0.1° | 0.0° |
| C9 | C11 | C15 | H17 | 1.9° | 0.1° |
| C17 | C18 | C19 | H20 | 179.7° | 180.0° |
| O1 | C2 | C1 | C3 | 120.9° | 120.0° |
| O1 | C2 | C1 | H4 | 122.1° | 120.0° |
| O1 | C2 | C3 | H4 | 123.5° | 120.0° |
| O1 | C2 | C3 | N1 | 147.4° | 65.0° |
| O1 | C2 | C1 | H1 | 180.0° | 180.0° |
| O1 | C2 | C1 | H2 | 60.0° | 60.0° |
| O1 | C2 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H5 | 26.8° | 175.0° |
| O1 | C2 | C3 | H6 | 91.9° | 55.0° |
| N3 | C9 | C8 | C7 | 3.5° | 0.7° |
| C9 | N3 | C10 | N1 | 180.0° | 180.0° |
| C9 | N3 | C10 | C6 | 3.3° | 0.0° |
| N3 | C9 | C8 | H15 | 176.5° | 180.0° |
| C8 | C9 | N3 | C10 | 3.7° | 0.3° |
| C9 | C8 | C7 | H15 | 180.0° | 179.2° |
| C9 | C8 | C7 | C6 | 2.4° | 0.8° |
| C9 | C8 | C7 | H14 | 177.6° | 179.2° |
| C1 | C2 | C3 | H4 | 116.7° | 120.0° |
| C1 | C2 | C3 | N1 | 92.9° | 175.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 146.5° | 55.0° |
| C1 | C2 | C3 | H6 | 27.8° | 65.0° |
| C2 | C3 | N1 | H5 | 120.7° | 120.0° |
| C2 | C3 | N1 | H6 | 120.6° | 120.0° |
| C2 | C3 | N1 | C10 | 69.3° | 90.3° |
| C2 | C3 | N1 | C4 | 119.9° | 90.0° |
| C3 | C2 | C1 | H1 | 59.1° | 60.0° |
| C3 | C2 | C1 | H2 | 60.9° | 60.0° |
| C3 | C2 | C1 | H3 | 179.1° | 180.0° |
| C2 | C3 | H5 | H6 | 118.0° | 119.9° |
| N3 | C10 | N1 | C3 | 8.8° | 0.2° |
| N3 | C10 | N1 | C6 | 177.2° | 180.0° |
| N3 | C10 | N1 | C4 | 178.9° | 180.0° |
| N3 | C10 | C6 | C7 | 2.4° | 0.1° |
| N3 | C10 | C6 | N2 | 179.4° | 179.7° |
| C8 | C7 | C6 | C10 | 1.8° | 0.5° |
| C8 | C7 | C6 | H14 | 180.0° | 180.0° |
| C8 | C7 | C6 | N2 | 179.5° | 180.0° |
| C3 | N1 | C10 | C4 | 172.3° | 179.7° |
| C3 | N1 | C10 | C6 | 174.0° | 179.7° |
| C3 | N1 | C4 | N2 | 173.0° | 180.0° |
| C3 | N1 | C4 | C5 | 6.5° | 0.0° |
| N1 | C3 | C2 | H4 | 23.9° | 55.0° |
| N1 | C3 | H5 | H6 | 118.1° | 120.0° |
| N1 | C10 | C6 | C7 | 179.7° | 179.9° |
| N1 | C10 | C6 | N2 | 2.1° | 0.3° |
| C10 | N1 | C4 | N2 | 0.8° | 0.3° |
| C10 | N1 | C4 | C5 | 178.7° | 179.8° |
| C10 | N1 | C3 | H5 | 51.4° | 29.7° |
| C10 | N1 | C3 | H6 | 170.1° | 149.7° |
| C6 | C10 | N1 | C4 | 1.8° | 0.0° |
| C10 | C6 | C7 | N2 | 177.7° | 179.5° |
| C10 | C6 | N2 | C4 | 1.7° | 0.5° |
| C10 | C6 | C7 | H14 | 178.2° | 179.5° |
| N1 | C4 | N2 | C6 | 0.6° | 0.5° |
| N1 | C4 | N2 | C5 | 179.4° | 179.9° |
| C4 | N1 | C3 | H5 | 119.5° | 150.0° |
| C4 | N1 | C3 | H6 | 0.8° | 30.0° |
| N1 | C4 | C5 | H9 | 179.4° | 90.0° |
| N1 | C4 | C5 | H10 | 59.4° | 149.9° |
| N1 | C4 | C5 | H11 | 60.6° | 30.0° |
| C7 | C6 | N2 | C4 | 179.5° | 180.0° |
| C6 | C7 | C8 | H15 | 177.5° | 179.9° |
| C6 | N2 | C4 | C5 | 180.0° | 179.6° |
| N2 | C6 | C7 | H14 | 0.5° | 0.0° |
| N2 | C4 | C5 | H9 | 0.0° | 90.1° |
| N2 | C4 | C5 | H10 | 120.0° | 30.0° |
| N2 | C4 | C5 | H11 | 120.0° | 149.9° |
| C4 | C5 | H9 | H10 | 120.0° | 120.1° |
| C4 | C5 | H9 | H11 | 120.0° | 120.0° |
| C4 | C5 | H10 | H11 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 57.8° | 60.1° |
| H2 | C1 | C2 | H4 | 177.9° | 180.0° |
| H3 | C1 | C2 | H4 | 62.1° | 60.0° |
| H4 | C2 | C3 | H5 | 96.8° | 65.1° |
| H4 | C2 | C3 | H6 | 144.5° | 175.0° |
| H9 | C5 | H10 | H11 | 120.0° | 120.0° |
| H14 | C7 | C8 | H15 | 2.4° | 0.0° |
| H18 | C17 | C18 | H19 | 1.3° | 0.1° |
| H19 | C18 | C19 | H20 | 0.3° | 0.0° |
| H20 | C19 | C20 | H21 | 0.8° | 0.0° |
