RK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C18 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C17 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| N2 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C15 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.40Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | O1 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | CL | sing | 1.74Å | 1.74Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 122.0° | 120.0° |
| C | N | H13 | 119.0° | 120.0° |
| N | C | H14 | 109.5° | 109.5° |
| N | C | H15 | 109.5° | 109.4° |
| N | C | H16 | 109.4° | 109.5° |
| N | C1 | O | 121.9° | 120.0° |
| N | C1 | C2 | 117.2° | 120.0° |
| C1 | N | H13 | 119.0° | 120.0° |
| O | C1 | C2 | 120.7° | 119.9° |
| C1 | C2 | C18 | 120.4° | 119.8° |
| C1 | C2 | C3 | 120.2° | 119.7° |
| C2 | C18 | C17 | 121.3° | 119.4° |
| C18 | C2 | C3 | 119.4° | 120.6° |
| C2 | C18 | H12 | 119.3° | 120.3° |
| C18 | C17 | C16 | 123.3° | 121.9° |
| C18 | C17 | C5 | 119.1° | 119.4° |
| C17 | C18 | H12 | 119.4° | 120.3° |
| C2 | C3 | C4 | 120.9° | 120.8° |
| C2 | C3 | H11 | 119.5° | 119.6° |
| C17 | C16 | N2 | 124.2° | 120.2° |
| C16 | C17 | C5 | 117.6° | 118.7° |
| C17 | C16 | H10 | 117.9° | 119.9° |
| C16 | N2 | C15 | 117.5° | 122.9° |
| N2 | C16 | H10 | 117.9° | 119.9° |
| C17 | C5 | C4 | 118.1° | 119.9° |
| C17 | C5 | C6 | 118.0° | 118.2° |
| N2 | C15 | C6 | 125.0° | 121.6° |
| N2 | C15 | H6 | 117.5° | 119.2° |
| C3 | C4 | C5 | 121.1° | 119.9° |
| C3 | C4 | H2 | 119.4° | 120.0° |
| C4 | C3 | H11 | 119.5° | 119.6° |
| C4 | C5 | C6 | 123.9° | 121.9° |
| C5 | C4 | H2 | 119.5° | 120.1° |
| C5 | C6 | C15 | 117.6° | 118.5° |
| C5 | C6 | N1 | 118.8° | 120.8° |
| C15 | C6 | N1 | 123.6° | 120.7° |
| C6 | C15 | H6 | 117.5° | 119.2° |
| C6 | N1 | C7 | 128.1° | 120.0° |
| C6 | N1 | H1 | 115.9° | 120.0° |
| N1 | C7 | C8 | 114.3° | 119.9° |
| N1 | C7 | O1 | 123.7° | 120.0° |
| C7 | N1 | H1 | 116.0° | 120.0° |
| C8 | C7 | O1 | 122.0° | 120.1° |
| C7 | C8 | C9 | 112.5° | 109.4° |
| C7 | C8 | H3 | 108.7° | 109.5° |
| C7 | C8 | H4 | 108.7° | 109.5° |
| C8 | C9 | C14 | 120.2° | 119.9° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C9 | C8 | H3 | 108.7° | 109.5° |
| C9 | C8 | H4 | 108.7° | 109.4° |
| C14 | C9 | C10 | 118.8° | 120.0° |
| C9 | C14 | C13 | 119.7° | 120.0° |
| C9 | C14 | H9 | 120.1° | 120.0° |
| C9 | C10 | C11 | 120.9° | 120.1° |
| C9 | C10 | H5 | 119.6° | 120.0° |
| C14 | C13 | CL | 118.9° | 120.1° |
| C14 | C13 | C12 | 121.8° | 120.0° |
| C13 | C14 | H9 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C11 | C10 | H5 | 119.6° | 120.0° |
| C10 | C11 | H8 | 119.9° | 120.0° |
| CL | C13 | C12 | 119.2° | 120.0° |
| C13 | C12 | C11 | 118.6° | 120.0° |
| C13 | C12 | H7 | 120.7° | 120.0° |
| C11 | C12 | H7 | 120.7° | 120.0° |
| C12 | C11 | H8 | 119.9° | 120.0° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.4° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H13 | 180.0° | 179.9° |
| C | N | C1 | O | 18.9° | 0.0° |
| C | N | C1 | C2 | 158.1° | 180.0° |
| N | C | H14 | H15 | 120.0° | 119.9° |
| N | C | H14 | H16 | 120.0° | 120.1° |
| N | C | H15 | H16 | 120.0° | 120.0° |
| N | C1 | O | C2 | 176.9° | 180.0° |
| N | C1 | C2 | C18 | 4.7° | 180.0° |
| N | C1 | C2 | C3 | 175.6° | 0.3° |
| C1 | N | C | H14 | 180.0° | 59.9° |
| C1 | N | C | H15 | 60.0° | 60.0° |
| C1 | N | C | H16 | 60.0° | 180.0° |
| O | C1 | C2 | C18 | 178.2° | 0.1° |
| O | C1 | C2 | C3 | 1.4° | 179.7° |
| O | C1 | N | H13 | 161.0° | 179.9° |
| C1 | C2 | C18 | C3 | 179.7° | 179.8° |
| C1 | C2 | C18 | C17 | 178.6° | 180.0° |
| C1 | C2 | C3 | C4 | 178.5° | 179.7° |
| C1 | C2 | C3 | H11 | 1.5° | 0.3° |
| C1 | C2 | C18 | H12 | 1.4° | 0.2° |
| C2 | C1 | N | H13 | 22.0° | 0.1° |
| C2 | C18 | C17 | H12 | 180.0° | 179.8° |
| C2 | C18 | C17 | C16 | 179.9° | 179.8° |
| C2 | C18 | C17 | C5 | 0.2° | 0.2° |
| C18 | C2 | C3 | C4 | 1.2° | 0.0° |
| C18 | C2 | C3 | H11 | 178.8° | 180.0° |
| C17 | C18 | C2 | C3 | 1.1° | 0.2° |
| C18 | C17 | C16 | C5 | 179.7° | 180.0° |
| C18 | C17 | C16 | N2 | 179.4° | 179.9° |
| C18 | C17 | C5 | C4 | 1.3° | 0.0° |
| C18 | C17 | C5 | C6 | 178.5° | 180.0° |
| C18 | C17 | C16 | H10 | 0.5° | 0.0° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C18 | H12 | 178.9° | 180.0° |
| C17 | C16 | N2 | H10 | 180.0° | 179.9° |
| C17 | C16 | N2 | C15 | 0.5° | 0.1° |
| C16 | C17 | C5 | C4 | 179.0° | 180.0° |
| C16 | C17 | C5 | C6 | 1.2° | 0.0° |
| C16 | C17 | C18 | H12 | 0.1° | 0.0° |
| N2 | C16 | C17 | C5 | 0.3° | 0.1° |
| C16 | N2 | C15 | C6 | 0.3° | 0.0° |
| C16 | N2 | C15 | H6 | 179.7° | 180.0° |
| C17 | C5 | C4 | C3 | 1.2° | 0.3° |
| C17 | C5 | C4 | C6 | 179.8° | 180.0° |
| C17 | C5 | C6 | C15 | 1.4° | 0.0° |
| C17 | C5 | C6 | N1 | 176.9° | 180.0° |
| C17 | C5 | C4 | H2 | 178.8° | 179.9° |
| C5 | C17 | C16 | H10 | 179.7° | 180.0° |
| C5 | C17 | C18 | H12 | 179.8° | 180.0° |
| N2 | C15 | C6 | C5 | 0.6° | 0.0° |
| N2 | C15 | C6 | H6 | 180.0° | 180.0° |
| N2 | C15 | C6 | N1 | 177.5° | 180.0° |
| C15 | N2 | C16 | H10 | 179.5° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 178.6° | 179.7° |
| C4 | C5 | C6 | C15 | 178.9° | 180.0° |
| C4 | C5 | C6 | N1 | 2.9° | 0.0° |
| C5 | C4 | C3 | H11 | 180.0° | 179.7° |
| C5 | C6 | C15 | N1 | 178.1° | 180.0° |
| C5 | C6 | N1 | C7 | 107.3° | 155.2° |
| C5 | C6 | N1 | H1 | 72.7° | 25.1° |
| C6 | C5 | C4 | H2 | 1.4° | 0.1° |
| C5 | C6 | C15 | H6 | 179.4° | 180.0° |
| C15 | C6 | N1 | C7 | 70.8° | 24.9° |
| C15 | C6 | N1 | H1 | 109.2° | 154.9° |
| C6 | N1 | C7 | H1 | 180.0° | 179.8° |
| C6 | N1 | C7 | C8 | 160.2° | 174.3° |
| C6 | N1 | C7 | O1 | 17.5° | 5.6° |
| N1 | C6 | C15 | H6 | 2.5° | 0.0° |
| N1 | C7 | C8 | O1 | 177.7° | 180.0° |
| N1 | C7 | C8 | C9 | 175.4° | 180.0° |
| N1 | C7 | C8 | H3 | 64.1° | 60.0° |
| N1 | C7 | C8 | H4 | 55.0° | 60.1° |
| C7 | C8 | C9 | H3 | 120.5° | 120.1° |
| C7 | C8 | C9 | H4 | 120.4° | 120.0° |
| C7 | C8 | C9 | C14 | 90.7° | 90.0° |
| C7 | C8 | C9 | C10 | 82.4° | 90.0° |
| C8 | C7 | N1 | H1 | 19.8° | 5.4° |
| C7 | C8 | H3 | H4 | 118.6° | 120.1° |
| O1 | C7 | C8 | C9 | 2.3° | 0.0° |
| O1 | C7 | N1 | H1 | 162.5° | 174.6° |
| O1 | C7 | C8 | H3 | 118.1° | 120.0° |
| O1 | C7 | C8 | H4 | 122.8° | 120.0° |
| C8 | C9 | C14 | C10 | 173.2° | 180.0° |
| C8 | C9 | C14 | C13 | 169.8° | 179.5° |
| C8 | C9 | C10 | C11 | 170.4° | 180.0° |
| C9 | C8 | H3 | H4 | 118.6° | 119.9° |
| C8 | C9 | C10 | H5 | 9.6° | 0.2° |
| C8 | C9 | C14 | H9 | 10.2° | 0.3° |
| C9 | C14 | C13 | H9 | 180.0° | 179.2° |
| C14 | C9 | C10 | C11 | 2.8° | 0.0° |
| C9 | C14 | C13 | CL | 175.4° | 179.2° |
| C9 | C14 | C13 | C12 | 2.1° | 0.7° |
| C14 | C9 | C8 | H3 | 148.9° | 30.0° |
| C14 | C9 | C8 | H4 | 29.8° | 150.0° |
| C14 | C9 | C10 | H5 | 177.2° | 179.8° |
| C10 | C9 | C14 | C13 | 3.5° | 0.5° |
| C9 | C10 | C11 | H5 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.6° | 0.3° |
| C10 | C9 | C8 | H3 | 38.1° | 150.0° |
| C10 | C9 | C8 | H4 | 157.2° | 30.0° |
| C9 | C10 | C11 | H8 | 179.4° | 179.8° |
| C10 | C9 | C14 | H9 | 176.6° | 179.7° |
| C14 | C13 | CL | C12 | 177.6° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.5° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | H7 | 179.2° | 179.5° |
| CL | C13 | C12 | C11 | 177.6° | 179.5° |
| CL | C13 | C12 | H7 | 2.4° | 0.0° |
| CL | C13 | C14 | H9 | 4.5° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.5° |
| C13 | C12 | C11 | H8 | 179.2° | 180.0° |
| C12 | C13 | C14 | H9 | 178.0° | 180.0° |
| C12 | C11 | C10 | H5 | 179.4° | 180.0° |
| H2 | C4 | C3 | H11 | 0.0° | 0.1° |
| H5 | C10 | C11 | H8 | 0.6° | 0.0° |
| H7 | C12 | C11 | H8 | 0.8° | 0.5° |
| H13 | N | C | H14 | 0.0° | 120.0° |
| H13 | N | C | H15 | 120.0° | 120.1° |
| H13 | N | C | H16 | 120.0° | 0.1° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
