RC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| O10 | N9 | sing | 1.42Å | 1.39Å | |
| C11 | N9 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C2 | sing | 1.53Å | 1.56Å | |
| N9 | C4 | sing | 1.35Å | 1.33Å | |
| O8 | P5 | doub | 1.48Å | 1.46Å | |
| C4 | O12 | doub | 1.21Å | 1.24Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | P5 | sing | 1.82Å | 1.83Å | |
| P5 | O6 | sing | 1.61Å | 1.53Å | |
| P5 | O7 | sing | 1.61Å | 1.51Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C18 | 120.2° | 120.0° |
| C20 | C21 | C19 | 120.5° | 120.0° |
| C20 | C21 | H20 | 119.8° | 120.0° |
| C21 | C20 | H21 | 119.9° | 120.0° |
| C20 | C18 | C16 | 119.5° | 120.0° |
| C18 | C20 | H21 | 119.9° | 120.0° |
| C20 | C18 | H22 | 120.2° | 120.0° |
| C21 | C19 | C17 | 119.7° | 120.0° |
| C21 | C19 | H19 | 120.2° | 120.0° |
| C19 | C21 | H20 | 119.7° | 120.0° |
| C18 | C16 | C17 | 119.9° | 120.0° |
| C18 | C16 | C15 | 120.0° | 120.0° |
| C16 | C18 | H22 | 120.2° | 120.0° |
| C19 | C17 | C16 | 120.2° | 120.0° |
| C19 | C17 | H18 | 119.9° | 120.0° |
| C17 | C19 | H19 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C16 | C17 | H18 | 119.9° | 120.0° |
| C16 | C15 | C14 | 111.3° | 109.5° |
| C16 | C15 | H16 | 109.0° | 109.5° |
| C16 | C15 | H17 | 109.0° | 109.5° |
| C15 | C14 | C13 | 112.1° | 109.5° |
| C15 | C14 | H14 | 108.8° | 109.4° |
| C15 | C14 | H15 | 108.8° | 109.5° |
| C14 | C15 | H16 | 109.0° | 109.4° |
| C14 | C15 | H17 | 109.0° | 109.5° |
| O10 | N9 | C11 | 116.1° | 120.0° |
| O10 | N9 | C4 | 120.4° | 120.0° |
| N9 | O10 | H1 | 109.5° | 114.0° |
| C11 | N9 | C4 | 123.5° | 120.0° |
| N9 | C11 | H2 | 109.5° | 109.5° |
| N9 | C11 | H3 | 109.5° | 109.5° |
| N9 | C11 | H4 | 109.5° | 109.5° |
| C14 | C13 | C2 | 115.1° | 109.5° |
| C14 | C13 | H12 | 108.0° | 109.5° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C13 | C14 | H14 | 108.8° | 109.5° |
| C13 | C14 | H15 | 108.8° | 109.5° |
| C13 | C2 | C3 | 112.5° | 109.5° |
| C13 | C2 | C1 | 112.8° | 109.5° |
| C13 | C2 | H7 | 107.1° | 109.4° |
| C2 | C13 | H12 | 108.1° | 109.5° |
| C2 | C13 | H13 | 108.1° | 109.4° |
| N9 | C4 | O12 | 120.7° | 120.0° |
| N9 | C4 | C3 | 122.5° | 120.0° |
| O8 | P5 | C1 | 111.6° | 109.4° |
| O8 | P5 | O6 | 105.8° | 109.5° |
| O8 | P5 | O7 | 110.8° | 109.5° |
| O12 | C4 | C3 | 116.4° | 120.0° |
| C4 | C3 | C2 | 106.7° | 109.4° |
| C4 | C3 | H5 | 110.2° | 109.5° |
| C4 | C3 | H6 | 110.1° | 109.4° |
| C3 | C2 | C1 | 109.5° | 109.5° |
| C2 | C3 | H5 | 110.2° | 109.5° |
| C2 | C3 | H6 | 110.2° | 109.5° |
| C3 | C2 | H7 | 107.3° | 109.5° |
| C2 | C1 | P5 | 112.0° | 109.5° |
| C1 | C2 | H7 | 107.4° | 109.5° |
| C2 | C1 | H8 | 108.8° | 109.5° |
| C2 | C1 | H9 | 108.8° | 109.5° |
| C1 | P5 | O6 | 107.3° | 109.5° |
| C1 | P5 | O7 | 110.8° | 109.5° |
| P5 | C1 | H8 | 108.9° | 109.5° |
| P5 | C1 | H9 | 108.9° | 109.4° |
| O6 | P5 | O7 | 110.3° | 109.5° |
| P5 | O6 | H11 | 109.5° | 114.0° |
| P5 | O7 | H10 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H4 | 109.4° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C18 | H21 | 180.0° | 179.7° |
| C20 | C21 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C18 | C16 | 0.9° | 0.6° |
| C20 | C21 | C19 | C17 | 1.3° | 0.0° |
| C20 | C21 | C19 | H19 | 178.7° | 180.0° |
| C21 | C20 | C18 | H22 | 179.1° | 180.0° |
| C18 | C20 | C21 | C19 | 1.4° | 0.3° |
| C20 | C18 | C16 | H22 | 180.0° | 179.4° |
| C20 | C18 | C16 | C17 | 0.4° | 0.6° |
| C20 | C18 | C16 | C15 | 178.4° | 179.6° |
| C18 | C20 | C21 | H20 | 178.6° | 179.7° |
| C21 | C19 | C17 | H19 | 180.0° | 180.0° |
| C21 | C19 | C17 | C16 | 0.8° | 0.0° |
| C21 | C19 | C17 | H18 | 179.2° | 180.0° |
| C19 | C21 | C20 | H21 | 178.6° | 180.0° |
| C18 | C16 | C17 | C19 | 0.3° | 0.3° |
| C18 | C16 | C17 | C15 | 178.8° | 179.8° |
| C18 | C16 | C15 | C14 | 106.1° | 90.3° |
| C18 | C16 | C15 | H16 | 14.2° | 149.7° |
| C18 | C16 | C15 | H17 | 133.6° | 29.7° |
| C18 | C16 | C17 | H18 | 179.7° | 179.7° |
| C16 | C18 | C20 | H21 | 179.1° | 179.7° |
| C19 | C17 | C16 | H18 | 180.0° | 180.0° |
| C19 | C17 | C16 | C15 | 178.4° | 180.0° |
| C17 | C19 | C21 | H20 | 178.7° | 180.0° |
| C17 | C16 | C15 | C14 | 72.7° | 89.9° |
| C17 | C16 | C15 | H16 | 167.1° | 30.0° |
| C17 | C16 | C15 | H17 | 47.6° | 150.0° |
| C16 | C17 | C19 | H19 | 179.2° | 180.0° |
| C17 | C16 | C18 | H22 | 179.6° | 179.9° |
| C16 | C15 | C14 | H16 | 120.2° | 120.0° |
| C16 | C15 | C14 | H17 | 120.3° | 120.1° |
| C16 | C15 | C14 | C13 | 77.1° | 180.0° |
| C16 | C15 | C14 | H14 | 162.5° | 60.0° |
| C16 | C15 | C14 | H15 | 43.2° | 59.9° |
| C16 | C15 | H16 | H17 | 119.2° | 120.0° |
| C15 | C16 | C17 | H18 | 1.6° | 0.1° |
| C15 | C16 | C18 | H22 | 1.6° | 0.3° |
| C15 | C14 | C13 | H14 | 120.4° | 120.0° |
| C15 | C14 | C13 | H15 | 120.4° | 120.0° |
| C15 | C14 | C13 | C2 | 177.2° | 179.9° |
| C15 | C14 | C13 | H12 | 56.4° | 60.0° |
| C15 | C14 | C13 | H13 | 61.9° | 60.0° |
| C15 | C14 | H14 | H15 | 118.8° | 120.0° |
| C14 | C15 | H16 | H17 | 119.2° | 120.0° |
| O10 | N9 | C11 | C4 | 178.3° | 179.9° |
| O10 | N9 | C4 | O12 | 1.7° | 180.0° |
| O10 | N9 | C4 | C3 | 174.4° | 0.2° |
| O10 | N9 | C11 | H2 | 180.0° | 90.0° |
| O10 | N9 | C11 | H3 | 60.0° | 30.1° |
| O10 | N9 | C11 | H4 | 60.0° | 150.0° |
| C11 | N9 | C4 | O12 | 179.9° | 0.1° |
| C11 | N9 | C4 | C3 | 7.3° | 179.7° |
| C11 | N9 | O10 | H1 | 179.2° | 0.1° |
| N9 | C11 | H2 | H3 | 120.0° | 120.1° |
| N9 | C11 | H2 | H4 | 120.0° | 120.0° |
| N9 | C11 | H3 | H4 | 120.0° | 120.0° |
| C14 | C13 | C2 | H12 | 120.8° | 120.0° |
| C14 | C13 | C2 | H13 | 120.9° | 120.0° |
| C14 | C13 | C2 | C3 | 60.5° | 175.0° |
| C14 | C13 | C2 | C1 | 64.0° | 65.0° |
| C14 | C13 | C2 | H7 | 178.1° | 55.0° |
| C14 | C13 | H12 | H13 | 117.4° | 120.0° |
| C13 | C14 | H14 | H15 | 118.8° | 120.0° |
| C13 | C14 | C15 | H16 | 43.1° | 60.0° |
| C13 | C14 | C15 | H17 | 162.6° | 60.0° |
| C13 | C2 | C3 | C4 | 88.3° | 66.7° |
| C13 | C2 | C3 | C1 | 126.2° | 120.0° |
| C13 | C2 | C3 | H7 | 117.5° | 120.0° |
| C13 | C2 | C1 | H7 | 117.7° | 120.0° |
| C13 | C2 | C1 | P5 | 99.0° | 164.3° |
| C13 | C2 | C3 | H5 | 31.3° | 53.4° |
| C13 | C2 | C3 | H6 | 152.1° | 173.4° |
| C13 | C2 | C1 | H8 | 21.4° | 44.3° |
| C13 | C2 | C1 | H9 | 140.7° | 75.8° |
| C2 | C13 | H12 | H13 | 117.5° | 119.9° |
| C2 | C13 | C14 | H14 | 62.3° | 60.0° |
| C2 | C13 | C14 | H15 | 56.9° | 60.0° |
| N9 | C4 | O12 | C3 | 173.2° | 179.8° |
| N9 | C4 | C3 | C2 | 95.5° | 175.7° |
| C4 | N9 | O10 | H1 | 0.8° | 180.0° |
| C4 | N9 | C11 | H2 | 1.7° | 89.9° |
| C4 | N9 | C11 | H3 | 121.7° | 150.0° |
| C4 | N9 | C11 | H4 | 118.3° | 30.1° |
| N9 | C4 | C3 | H5 | 24.1° | 64.2° |
| N9 | C4 | C3 | H6 | 144.9° | 55.8° |
| O8 | P5 | C1 | C2 | 39.9° | 56.5° |
| O8 | P5 | C1 | O6 | 115.5° | 120.0° |
| O8 | P5 | C1 | O7 | 124.0° | 120.0° |
| O8 | P5 | O6 | O7 | 119.9° | 120.0° |
| O8 | P5 | C1 | H8 | 80.5° | 63.6° |
| O8 | P5 | C1 | H9 | 160.3° | 176.5° |
| O8 | P5 | O7 | H10 | 0.0° | 60.0° |
| O8 | P5 | O6 | H11 | 0.0° | 180.0° |
| O12 | C4 | C3 | C2 | 77.5° | 4.1° |
| O12 | C4 | C3 | H5 | 162.9° | 115.9° |
| O12 | C4 | C3 | H6 | 42.1° | 124.0° |
| C4 | C3 | C2 | H5 | 119.6° | 120.0° |
| C4 | C3 | C2 | H6 | 119.5° | 119.9° |
| C4 | C3 | C2 | C1 | 145.5° | 173.3° |
| C4 | C3 | H5 | H6 | 121.2° | 120.0° |
| C4 | C3 | C2 | H7 | 29.2° | 53.3° |
| C3 | C2 | C1 | H7 | 116.2° | 120.0° |
| C3 | C2 | C1 | P5 | 135.0° | 75.7° |
| C2 | C3 | H5 | H6 | 121.3° | 120.0° |
| C3 | C2 | C1 | H8 | 104.7° | 164.3° |
| C3 | C2 | C1 | H9 | 14.6° | 44.3° |
| C3 | C2 | C13 | H12 | 60.4° | 55.0° |
| C3 | C2 | C13 | H13 | 178.7° | 65.0° |
| C2 | C1 | P5 | H8 | 120.4° | 120.1° |
| C2 | C1 | P5 | H9 | 120.4° | 120.0° |
| C2 | C1 | P5 | O6 | 155.4° | 63.5° |
| C2 | C1 | P5 | O7 | 84.1° | 176.4° |
| C1 | C2 | C3 | H5 | 95.0° | 66.7° |
| C1 | C2 | C3 | H6 | 25.9° | 53.4° |
| C2 | C1 | H8 | H9 | 118.8° | 120.0° |
| C1 | C2 | C13 | H12 | 175.2° | 175.0° |
| C1 | C2 | C13 | H13 | 56.9° | 55.0° |
| C1 | P5 | O6 | O7 | 120.8° | 120.0° |
| P5 | C1 | C2 | H7 | 18.8° | 44.3° |
| P5 | C1 | H8 | H9 | 118.9° | 119.9° |
| C1 | P5 | O7 | H10 | 124.5° | 180.0° |
| C1 | P5 | O6 | H11 | 119.3° | 60.1° |
| O6 | P5 | C1 | H8 | 35.0° | 176.4° |
| O6 | P5 | C1 | H9 | 84.2° | 56.5° |
| O6 | P5 | O7 | H10 | 116.8° | 60.0° |
| O7 | P5 | C1 | H8 | 155.5° | 56.4° |
| O7 | P5 | C1 | H9 | 36.3° | 63.6° |
| O7 | P5 | O6 | H11 | 119.9° | 59.9° |
| H2 | C11 | H3 | H4 | 120.0° | 119.9° |
| H5 | C3 | C2 | H7 | 148.8° | 173.3° |
| H6 | C3 | C2 | H7 | 90.4° | 66.6° |
| H7 | C2 | C1 | H8 | 139.1° | 75.7° |
| H7 | C2 | C1 | H9 | 101.6° | 164.3° |
| H7 | C2 | C13 | H12 | 57.3° | 65.0° |
| H7 | C2 | C13 | H13 | 61.1° | 175.0° |
| H12 | C13 | C14 | H14 | 176.8° | 180.0° |
| H12 | C13 | C14 | H15 | 64.0° | 60.0° |
| H13 | C13 | C14 | H14 | 58.5° | 59.9° |
| H13 | C13 | C14 | H15 | 177.7° | 179.9° |
| H14 | C14 | C15 | H16 | 77.3° | 180.0° |
| H14 | C14 | C15 | H17 | 42.2° | 60.0° |
| H15 | C14 | C15 | H16 | 163.5° | 60.0° |
| H15 | C14 | C15 | H17 | 77.0° | 180.0° |
| H18 | C17 | C19 | H19 | 0.8° | 0.0° |
| H19 | C19 | C21 | H20 | 1.3° | 0.0° |
| H20 | C21 | C20 | H21 | 1.4° | 0.0° |
| H21 | C20 | C18 | H22 | 0.9° | 0.3° |
