RKC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C13 | C18 | sing | 1.42Å | 1.43Å | Aromatic |
| N1 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | N | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.55Å | 1.52Å | |
| C10 | N | sing | 1.40Å | 1.43Å | |
| N | C9 | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C9 | C6 | sing | 1.51Å | 1.53Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C19 | sing | 1.50Å | 1.54Å | |
| C5 | C4 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O | sing | 1.43Å | 1.44Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.6° | 119.5° |
| C14 | C15 | C16 | 120.5° | 121.1° |
| C14 | C15 | H9 | 119.7° | 119.4° |
| C15 | C14 | H15 | 119.7° | 120.3° |
| C14 | C13 | C12 | 123.0° | 122.0° |
| C14 | C13 | C18 | 119.2° | 119.3° |
| C13 | C14 | H15 | 119.7° | 120.2° |
| C15 | C16 | C17 | 120.7° | 121.0° |
| C16 | C15 | H9 | 119.7° | 119.5° |
| C15 | C16 | H14 | 119.6° | 119.5° |
| C13 | C12 | N1 | 124.1° | 120.2° |
| C12 | C13 | C18 | 117.8° | 118.7° |
| C13 | C12 | H16 | 118.0° | 119.9° |
| C12 | N1 | C11 | 117.4° | 122.9° |
| N1 | C12 | H16 | 118.0° | 119.9° |
| C13 | C18 | C17 | 118.0° | 119.6° |
| C13 | C18 | C10 | 118.0° | 118.2° |
| N1 | C11 | C10 | 125.4° | 121.6° |
| N1 | C11 | H17 | 117.3° | 119.2° |
| C16 | C17 | C18 | 121.0° | 119.5° |
| C16 | C17 | H10 | 119.5° | 120.3° |
| C17 | C16 | H14 | 119.7° | 119.5° |
| C17 | C18 | C10 | 124.0° | 122.2° |
| C18 | C17 | H10 | 119.5° | 120.2° |
| C18 | C10 | C11 | 117.3° | 118.5° |
| C18 | C10 | N | 122.4° | 120.8° |
| C11 | C10 | N | 120.2° | 120.7° |
| C10 | C11 | H17 | 117.3° | 119.3° |
| N | C8 | C7 | 103.6° | 105.5° |
| C8 | N | C10 | 121.8° | 124.4° |
| C8 | N | C9 | 113.0° | 111.3° |
| N | C8 | H7 | 110.9° | 110.2° |
| N | C8 | H8 | 110.9° | 110.3° |
| C8 | C7 | C6 | 105.2° | 101.6° |
| C8 | C7 | H5 | 110.5° | 111.0° |
| C8 | C7 | H6 | 110.5° | 110.9° |
| C7 | C8 | H7 | 110.9° | 110.2° |
| C7 | C8 | H8 | 110.9° | 110.3° |
| C10 | N | C9 | 125.2° | 124.3° |
| N | C9 | C6 | 108.3° | 109.9° |
| N | C9 | O1 | 125.5° | 125.1° |
| C7 | C6 | C9 | 101.7° | 104.7° |
| C7 | C6 | C5 | 112.5° | 110.0° |
| C7 | C6 | C19 | 112.1° | 109.9° |
| C6 | C7 | H5 | 110.6° | 111.0° |
| C6 | C7 | H6 | 110.5° | 111.0° |
| C6 | C9 | O1 | 126.1° | 125.0° |
| C9 | C6 | C5 | 107.1° | 110.6° |
| C9 | C6 | C19 | 110.1° | 110.6° |
| C5 | C6 | C19 | 112.6° | 110.8° |
| C6 | C5 | C4 | 112.5° | 108.3° |
| C6 | C5 | H3 | 108.7° | 109.7° |
| C6 | C5 | H4 | 108.7° | 109.7° |
| C6 | C19 | C20 | 121.1° | 119.2° |
| C6 | C19 | C3 | 120.5° | 121.1° |
| C5 | C4 | O | 111.9° | 108.4° |
| C5 | C4 | H1 | 108.8° | 109.7° |
| C5 | C4 | H2 | 108.9° | 109.8° |
| C4 | C5 | H3 | 108.7° | 109.7° |
| C4 | C5 | H4 | 108.7° | 109.7° |
| C19 | C20 | C | 119.4° | 120.4° |
| C20 | C19 | C3 | 118.2° | 119.8° |
| C19 | C20 | H11 | 120.3° | 119.9° |
| C20 | C | CL | 118.9° | 120.1° |
| C20 | C | C1 | 122.0° | 119.9° |
| C | C20 | H11 | 120.3° | 119.8° |
| C19 | C3 | O | 122.5° | 121.6° |
| C19 | C3 | C2 | 121.8° | 119.7° |
| C4 | O | C3 | 113.5° | 118.1° |
| O | C4 | H1 | 108.9° | 109.6° |
| O | C4 | H2 | 108.9° | 109.7° |
| CL | C | C1 | 119.1° | 120.0° |
| C | C1 | C2 | 119.4° | 119.9° |
| C | C1 | H13 | 120.3° | 120.0° |
| O | C3 | C2 | 115.7° | 118.6° |
| C3 | C2 | C1 | 119.2° | 120.2° |
| C3 | C2 | H12 | 120.5° | 119.8° |
| C1 | C2 | H12 | 120.4° | 119.9° |
| C2 | C1 | H13 | 120.3° | 120.1° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C5 | H4 | 109.5° | 109.7° |
| H5 | C7 | H6 | 109.5° | 110.9° |
| H7 | C8 | H8 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.2° | 180.0° |
| C15 | C14 | C13 | C18 | 0.1° | 0.1° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | H14 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C12 | C18 | 179.1° | 180.0° |
| C14 | C13 | C12 | N1 | 179.2° | 180.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.0° |
| C14 | C13 | C18 | C10 | 178.9° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | H16 | 0.8° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.8° | 0.0° |
| C15 | C16 | C17 | H10 | 179.2° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C13 | C12 | N1 | H16 | 180.0° | 180.0° |
| C13 | C12 | N1 | C11 | 0.0° | 0.0° |
| C12 | C13 | C18 | C17 | 178.9° | 180.0° |
| C12 | C13 | C18 | C10 | 0.2° | 0.0° |
| C12 | C13 | C14 | H15 | 0.8° | 0.1° |
| N1 | C12 | C13 | C18 | 0.1° | 0.0° |
| C12 | N1 | C11 | C10 | 0.5° | 0.0° |
| C12 | N1 | C11 | H17 | 179.5° | 180.0° |
| C13 | C18 | C17 | C16 | 0.7° | 0.0° |
| C13 | C18 | C17 | C10 | 178.6° | 180.0° |
| C13 | C18 | C10 | C11 | 0.6° | 0.0° |
| C13 | C18 | C10 | N | 175.1° | 180.0° |
| C13 | C18 | C17 | H10 | 179.3° | 180.0° |
| C18 | C13 | C14 | H15 | 179.9° | 180.0° |
| C18 | C13 | C12 | H16 | 179.9° | 180.0° |
| N1 | C11 | C10 | C18 | 0.8° | 0.0° |
| N1 | C11 | C10 | H17 | 180.0° | 180.0° |
| N1 | C11 | C10 | N | 175.0° | 180.0° |
| C11 | N1 | C12 | H16 | 180.0° | 179.9° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C16 | C17 | C18 | C10 | 179.3° | 180.0° |
| C17 | C16 | C15 | H9 | 179.5° | 180.0° |
| C17 | C18 | C10 | C11 | 179.2° | 180.0° |
| C17 | C18 | C10 | N | 3.5° | 0.0° |
| C18 | C17 | C16 | H14 | 179.2° | 180.0° |
| C18 | C10 | C11 | N | 175.8° | 180.0° |
| C18 | C10 | N | C8 | 91.6° | 90.0° |
| C18 | C10 | N | C9 | 90.6° | 90.0° |
| C10 | C18 | C17 | H10 | 0.7° | 0.0° |
| C18 | C10 | C11 | H17 | 179.2° | 180.0° |
| C11 | C10 | N | C8 | 92.8° | 90.0° |
| C11 | C10 | N | C9 | 85.0° | 90.0° |
| N | C8 | C7 | H7 | 119.1° | 118.9° |
| N | C8 | C7 | H8 | 119.0° | 119.1° |
| C8 | N | C10 | C9 | 177.8° | 180.0° |
| N | C8 | C7 | C6 | 23.2° | 25.1° |
| C8 | N | C9 | C6 | 9.8° | 0.7° |
| C8 | N | C9 | O1 | 172.2° | 179.3° |
| N | C8 | C7 | H5 | 142.5° | 93.0° |
| N | C8 | C7 | H6 | 96.1° | 143.1° |
| N | C8 | H7 | H8 | 122.7° | 122.0° |
| C7 | C8 | N | C10 | 169.4° | 163.0° |
| C7 | C8 | N | C9 | 8.7° | 17.0° |
| C8 | C7 | C6 | H5 | 119.3° | 118.1° |
| C8 | C7 | C6 | H6 | 119.3° | 118.0° |
| C8 | C7 | C6 | C9 | 28.2° | 24.4° |
| C8 | C7 | C6 | C5 | 86.1° | 94.5° |
| C8 | C7 | C6 | C19 | 145.8° | 143.3° |
| C8 | C7 | H5 | H6 | 122.0° | 123.8° |
| C7 | C8 | H7 | H8 | 122.7° | 122.0° |
| C10 | N | C9 | C6 | 172.2° | 179.3° |
| C10 | N | C9 | O1 | 5.8° | 0.7° |
| C10 | N | C8 | H7 | 71.5° | 44.1° |
| C10 | N | C8 | H8 | 50.3° | 77.9° |
| N | C10 | C11 | H17 | 5.0° | 0.0° |
| N | C9 | C6 | C7 | 23.7° | 15.9° |
| N | C9 | C6 | O1 | 178.0° | 180.0° |
| N | C9 | C6 | C5 | 94.6° | 102.6° |
| N | C9 | C6 | C19 | 142.7° | 134.3° |
| C9 | N | C8 | H7 | 110.4° | 135.9° |
| C9 | N | C8 | H8 | 127.7° | 102.1° |
| C7 | C6 | C9 | C5 | 118.2° | 118.4° |
| C7 | C6 | C9 | C19 | 119.0° | 118.4° |
| C7 | C6 | C9 | O1 | 158.4° | 164.1° |
| C7 | C6 | C5 | C19 | 127.8° | 121.7° |
| C7 | C6 | C5 | C4 | 107.6° | 168.5° |
| C7 | C6 | C19 | C20 | 47.1° | 41.6° |
| C7 | C6 | C19 | C3 | 137.0° | 138.5° |
| C7 | C6 | C5 | H3 | 131.9° | 48.8° |
| C7 | C6 | C5 | H4 | 12.8° | 71.7° |
| C6 | C7 | H5 | H6 | 122.0° | 123.9° |
| C6 | C7 | C8 | H7 | 95.9° | 144.0° |
| C6 | C7 | C8 | H8 | 142.2° | 94.0° |
| C9 | C6 | C5 | C19 | 121.2° | 123.1° |
| C9 | C6 | C5 | C4 | 141.4° | 76.3° |
| C9 | C6 | C19 | C20 | 65.4° | 73.6° |
| C9 | C6 | C19 | C3 | 110.6° | 106.4° |
| C9 | C6 | C5 | H3 | 20.9° | 164.0° |
| C9 | C6 | C5 | H4 | 98.2° | 43.4° |
| C9 | C6 | C7 | H5 | 147.5° | 93.7° |
| C9 | C6 | C7 | H6 | 91.1° | 142.5° |
| O1 | C9 | C6 | C5 | 83.4° | 77.4° |
| O1 | C9 | C6 | C19 | 39.4° | 45.7° |
| C6 | C5 | C4 | H3 | 120.5° | 119.7° |
| C6 | C5 | C4 | H4 | 120.4° | 119.7° |
| C5 | C6 | C19 | C20 | 175.1° | 163.3° |
| C5 | C6 | C19 | C3 | 8.9° | 16.7° |
| C6 | C5 | C4 | O | 53.5° | 63.7° |
| C6 | C5 | C4 | H1 | 173.9° | 56.0° |
| C6 | C5 | C4 | H2 | 66.9° | 176.5° |
| C6 | C5 | H3 | H4 | 118.6° | 120.6° |
| C5 | C6 | C7 | H5 | 33.2° | 147.4° |
| C5 | C6 | C7 | H6 | 154.6° | 23.6° |
| C19 | C6 | C5 | C4 | 20.2° | 46.8° |
| C6 | C19 | C20 | C3 | 176.1° | 180.0° |
| C6 | C19 | C20 | C | 172.8° | 179.8° |
| C6 | C19 | C3 | O | 6.5° | 0.4° |
| C6 | C19 | C3 | C2 | 173.1° | 179.8° |
| C19 | C6 | C5 | H3 | 100.3° | 72.9° |
| C19 | C6 | C5 | H4 | 140.7° | 166.5° |
| C19 | C6 | C7 | H5 | 94.9° | 25.2° |
| C19 | C6 | C7 | H6 | 26.5° | 98.7° |
| C6 | C19 | C20 | H11 | 7.1° | 0.2° |
| C5 | C4 | O | H1 | 120.4° | 119.7° |
| C5 | C4 | O | H2 | 120.4° | 119.9° |
| C5 | C4 | O | C3 | 57.7° | 49.7° |
| C5 | C4 | H1 | H2 | 118.9° | 120.6° |
| C4 | C5 | H3 | H4 | 118.7° | 120.6° |
| C19 | C20 | C | H11 | 180.0° | 180.0° |
| C19 | C20 | C | CL | 178.7° | 179.9° |
| C19 | C20 | C | C1 | 1.1° | 0.1° |
| C20 | C19 | C3 | O | 177.4° | 179.7° |
| C20 | C19 | C3 | C2 | 3.0° | 0.2° |
| C | C20 | C19 | C3 | 3.2° | 0.2° |
| C20 | C | CL | C1 | 179.8° | 179.8° |
| C20 | C | C1 | C2 | 1.6° | 0.0° |
| C20 | C | C1 | H13 | 178.4° | 179.9° |
| C19 | C3 | O | C4 | 27.5° | 18.1° |
| C19 | C3 | O | C2 | 179.7° | 179.9° |
| C19 | C3 | C2 | C1 | 0.4° | 0.1° |
| C3 | C19 | C20 | H11 | 176.8° | 179.8° |
| C19 | C3 | C2 | H12 | 179.6° | 179.8° |
| C4 | O | C3 | C2 | 152.9° | 162.1° |
| O | C4 | H1 | H2 | 118.9° | 120.5° |
| O | C4 | C5 | H3 | 67.0° | 56.0° |
| O | C4 | C5 | H4 | 173.9° | 176.6° |
| CL | C | C1 | C2 | 178.7° | 179.9° |
| CL | C | C20 | H11 | 1.3° | 0.1° |
| CL | C | C1 | H13 | 1.3° | 0.2° |
| C | C1 | C2 | C3 | 1.9° | 0.0° |
| C | C1 | C2 | H13 | 180.0° | 179.9° |
| C1 | C | C20 | H11 | 179.0° | 179.9° |
| C | C1 | C2 | H12 | 178.2° | 179.9° |
| O | C3 | C2 | C1 | 179.9° | 179.7° |
| C3 | O | C4 | H1 | 178.1° | 70.0° |
| C3 | O | C4 | H2 | 62.7° | 169.6° |
| O | C3 | C2 | H12 | 0.1° | 0.3° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H13 | 178.1° | 179.9° |
| H1 | C4 | C5 | H3 | 53.4° | 175.7° |
| H1 | C4 | C5 | H4 | 65.7° | 63.7° |
| H2 | C4 | C5 | H3 | 172.7° | 63.8° |
| H2 | C4 | C5 | H4 | 53.6° | 56.8° |
| H5 | C7 | C8 | H7 | 23.4° | 25.9° |
| H5 | C7 | C8 | H8 | 98.4° | 147.9° |
| H6 | C7 | C8 | H7 | 144.8° | 97.9° |
| H6 | C7 | C8 | H8 | 22.9° | 24.1° |
| H9 | C15 | C16 | H14 | 0.5° | 0.0° |
| H9 | C15 | C14 | H15 | 0.0° | 0.1° |
| H10 | C17 | C16 | H14 | 0.8° | 0.0° |
| H12 | C2 | C1 | H13 | 1.9° | 0.0° |
