REN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O4 | sing | 1.36Å | 1.37Å | |
| C5 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | O6 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| N12 | C14 | sing | 1.47Å | 1.46Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | C1 | sing | 1.51Å | 1.48Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.37Å | |
| C21 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| C19 | O20 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.0° | 120.4° |
| C2 | C3 | C5 | 119.9° | 119.7° |
| C2 | C3 | O4 | 120.1° | 120.1° |
| C3 | C2 | H2 | 120.0° | 119.8° |
| C2 | C1 | C9 | 120.1° | 119.8° |
| C2 | C1 | C14 | 119.6° | 118.3° |
| C1 | C2 | H2 | 120.0° | 119.8° |
| C5 | C3 | O4 | 120.0° | 120.1° |
| C3 | C5 | C8 | 120.1° | 119.7° |
| C3 | C5 | O6 | 120.3° | 120.1° |
| C3 | O4 | HO4 | 109.5° | 114.0° |
| C8 | C5 | O6 | 119.6° | 120.2° |
| C5 | C8 | C9 | 120.3° | 120.4° |
| C5 | C8 | H8 | 119.9° | 119.8° |
| C5 | O6 | C7 | 119.7° | 117.0° |
| C8 | C9 | C10 | 118.6° | 118.4° |
| C8 | C9 | C1 | 119.6° | 120.0° |
| C9 | C8 | H8 | 119.8° | 119.9° |
| C10 | C9 | C1 | 120.8° | 121.6° |
| C9 | C10 | C11 | 112.3° | 110.0° |
| C9 | C10 | H10 | 108.5° | 109.4° |
| C9 | C10 | H10A | 107.9° | 109.4° |
| C9 | C1 | C14 | 120.2° | 121.9° |
| C10 | C11 | N12 | 108.6° | 108.5° |
| C11 | C10 | H10 | 108.6° | 109.4° |
| C11 | C10 | H10A | 107.9° | 109.4° |
| C10 | C11 | H11 | 109.7° | 109.6° |
| C10 | C11 | H11A | 110.0° | 109.7° |
| C11 | N12 | C14 | 109.8° | 110.3° |
| C11 | N12 | C13 | 111.7° | 111.0° |
| N12 | C11 | H11 | 109.8° | 109.6° |
| N12 | C11 | H11A | 109.9° | 109.6° |
| C14 | N12 | C13 | 113.5° | 111.0° |
| N12 | C14 | C16 | 112.2° | 109.3° |
| N12 | C14 | C1 | 106.6° | 110.5° |
| N12 | C14 | H14 | 109.2° | 109.2° |
| N12 | C13 | H13 | 109.5° | 109.6° |
| N12 | C13 | H13A | 109.4° | 109.5° |
| N12 | C13 | H13B | 109.5° | 109.4° |
| C16 | C14 | C1 | 108.2° | 109.3° |
| C14 | C16 | C17 | 112.6° | 109.5° |
| C16 | C14 | H14 | 107.7° | 109.3° |
| C14 | C16 | H16 | 108.4° | 109.5° |
| C14 | C16 | H16A | 107.7° | 109.4° |
| C1 | C14 | H14 | 113.1° | 109.2° |
| C16 | C17 | C25 | 120.5° | 119.9° |
| C16 | C17 | C18 | 119.7° | 119.9° |
| C17 | C16 | H16 | 108.4° | 109.5° |
| C17 | C16 | H16A | 107.7° | 109.5° |
| C25 | C17 | C18 | 119.8° | 120.1° |
| C17 | C25 | C24 | 120.0° | 120.2° |
| C17 | C25 | H25 | 120.0° | 119.9° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C25 | C24 | C21 | 120.1° | 120.0° |
| C24 | C25 | H25 | 120.0° | 119.9° |
| C25 | C24 | H24 | 120.0° | 120.1° |
| C24 | C21 | O22 | 120.3° | 120.1° |
| C24 | C21 | C19 | 119.8° | 119.8° |
| C21 | C24 | H24 | 120.0° | 120.0° |
| O22 | C21 | C19 | 119.9° | 120.1° |
| C21 | O22 | C23 | 120.1° | 117.0° |
| C21 | C19 | O20 | 120.2° | 120.1° |
| C21 | C19 | C18 | 120.1° | 119.8° |
| O22 | C23 | H23 | 109.5° | 109.4° |
| O22 | C23 | H23A | 109.5° | 109.5° |
| O22 | C23 | H23B | 109.4° | 109.4° |
| O20 | C19 | C18 | 119.7° | 120.1° |
| C19 | O20 | HO20 | 109.5° | 114.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| O6 | C7 | H7 | 109.5° | 109.5° |
| O6 | C7 | H7A | 109.4° | 109.5° |
| O6 | C7 | H7B | 109.5° | 109.4° |
| H10 | C10 | H10A | 111.7° | 109.2° |
| H11 | C11 | H11A | 108.8° | 109.8° |
| H16 | C16 | H16A | 111.9° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H23 | C23 | H23B | 109.5° | 109.6° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.4° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.4° |
| H7A | C7 | H7B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C2 | C3 | C5 | O4 | 180.0° | 179.9° |
| C2 | C3 | C5 | C8 | 0.1° | 0.2° |
| C2 | C3 | C5 | O6 | 180.0° | 179.9° |
| C3 | C2 | C1 | C9 | 0.0° | 0.2° |
| C3 | C2 | C1 | C14 | 179.6° | 179.6° |
| C2 | C3 | O4 | HO4 | 142.5° | 90.1° |
| C1 | C2 | C3 | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | O4 | 180.0° | 179.9° |
| C2 | C1 | C9 | C8 | 0.1° | 0.2° |
| C2 | C1 | C9 | C10 | 168.1° | 179.6° |
| C2 | C1 | C9 | C14 | 179.6° | 179.8° |
| C2 | C1 | C14 | N12 | 155.2° | 162.6° |
| C2 | C1 | C14 | C16 | 84.1° | 42.3° |
| C2 | C1 | C14 | H14 | 35.1° | 77.2° |
| C3 | C5 | C8 | O6 | 179.9° | 180.0° |
| C3 | C5 | C8 | C9 | 0.1° | 0.1° |
| C3 | C5 | O6 | C7 | 155.3° | 180.0° |
| C5 | C3 | C2 | H2 | 180.0° | 179.7° |
| C3 | C5 | C8 | H8 | 179.9° | 179.9° |
| C5 | C3 | O4 | HO4 | 37.5° | 90.1° |
| O4 | C3 | C5 | C8 | 179.9° | 179.9° |
| O4 | C3 | C5 | O6 | 0.0° | 0.0° |
| O4 | C3 | C2 | H2 | 0.0° | 0.4° |
| C5 | C8 | C9 | H8 | 180.0° | 180.0° |
| C5 | C8 | C9 | C10 | 168.3° | 179.7° |
| C5 | C8 | C9 | C1 | 0.1° | 0.1° |
| C8 | C5 | O6 | C7 | 24.6° | 0.0° |
| O6 | C5 | C8 | C9 | 180.0° | 179.9° |
| O6 | C5 | C8 | H8 | 0.0° | 0.0° |
| C5 | O6 | C7 | H7 | 42.1° | 59.9° |
| C5 | O6 | C7 | H7A | 162.1° | 180.0° |
| C5 | O6 | C7 | H7B | 77.9° | 60.0° |
| C8 | C9 | C10 | C1 | 168.3° | 179.8° |
| C8 | C9 | C10 | C11 | 177.5° | 163.1° |
| C8 | C9 | C1 | C14 | 179.6° | 179.5° |
| C8 | C9 | C10 | H10 | 62.5° | 43.0° |
| C8 | C9 | C10 | H10A | 58.7° | 76.7° |
| C9 | C10 | C11 | H10 | 120.0° | 120.2° |
| C9 | C10 | C11 | H10A | 118.8° | 120.2° |
| C9 | C10 | C11 | N12 | 29.5° | 50.4° |
| C10 | C9 | C1 | C14 | 11.5° | 0.6° |
| C10 | C9 | C8 | H8 | 11.7° | 0.3° |
| C9 | C10 | H10 | H10A | 118.9° | 119.7° |
| C9 | C10 | C11 | H11 | 149.5° | 69.2° |
| C9 | C10 | C11 | H11A | 90.9° | 170.2° |
| C1 | C9 | C10 | C11 | 9.2° | 17.0° |
| C9 | C1 | C14 | N12 | 25.3° | 17.6° |
| C9 | C1 | C14 | C16 | 95.5° | 137.9° |
| C9 | C1 | C2 | H2 | 180.0° | 179.5° |
| C1 | C9 | C8 | H8 | 179.9° | 179.9° |
| C1 | C9 | C10 | H10 | 129.2° | 137.2° |
| C1 | C9 | C10 | H10A | 109.6° | 103.2° |
| C9 | C1 | C14 | H14 | 145.3° | 102.5° |
| C10 | C11 | N12 | H11 | 120.0° | 119.7° |
| C10 | C11 | N12 | H11A | 120.4° | 119.8° |
| C10 | C11 | N12 | C14 | 70.6° | 71.2° |
| C10 | C11 | N12 | C13 | 162.6° | 52.1° |
| C11 | C10 | H10 | H10A | 118.9° | 119.7° |
| C10 | C11 | H11 | H11A | 120.3° | 120.5° |
| C11 | N12 | C14 | C13 | 125.8° | 123.4° |
| C11 | N12 | C14 | C16 | 50.8° | 172.8° |
| C11 | N12 | C14 | C1 | 67.4° | 52.5° |
| N12 | C11 | C10 | H10 | 90.5° | 170.6° |
| N12 | C11 | C10 | H10A | 148.3° | 69.8° |
| N12 | C11 | H11 | H11A | 120.3° | 120.4° |
| C11 | N12 | C14 | H14 | 170.0° | 67.7° |
| C11 | N12 | C13 | H13 | 101.3° | 66.8° |
| C11 | N12 | C13 | H13A | 138.7° | 173.2° |
| C11 | N12 | C13 | H13B | 18.7° | 53.2° |
| N12 | C14 | C16 | C1 | 117.2° | 121.0° |
| N12 | C14 | C16 | H14 | 120.2° | 119.5° |
| N12 | C14 | C1 | H14 | 120.0° | 120.2° |
| N12 | C14 | C16 | C17 | 90.0° | 66.2° |
| C14 | N12 | C11 | H11 | 169.4° | 48.5° |
| C14 | N12 | C11 | H11A | 49.8° | 169.0° |
| N12 | C14 | C16 | H16 | 30.0° | 53.8° |
| N12 | C14 | C16 | H16A | 151.3° | 173.8° |
| C14 | N12 | C13 | H13 | 23.6° | 56.2° |
| C14 | N12 | C13 | H13A | 96.4° | 63.9° |
| C14 | N12 | C13 | H13B | 143.5° | 176.2° |
| C13 | N12 | C14 | C16 | 75.1° | 49.4° |
| C13 | N12 | C14 | C1 | 166.7° | 70.9° |
| C13 | N12 | C11 | H11 | 42.6° | 171.9° |
| C13 | N12 | C11 | H11A | 77.1° | 67.6° |
| C13 | N12 | C14 | H14 | 44.2° | 168.9° |
| N12 | C13 | H13 | H13A | 120.0° | 120.1° |
| N12 | C13 | H13 | H13B | 120.0° | 120.0° |
| N12 | C13 | H13A | H13B | 120.0° | 120.0° |
| C16 | C14 | C1 | H14 | 119.2° | 119.6° |
| C14 | C16 | C17 | H16 | 120.0° | 120.0° |
| C14 | C16 | C17 | H16A | 118.7° | 119.9° |
| C14 | C16 | C17 | C25 | 77.6° | 96.6° |
| C14 | C16 | C17 | C18 | 102.7° | 83.7° |
| C14 | C16 | H16 | H16A | 118.7° | 119.9° |
| C1 | C14 | C16 | C17 | 152.7° | 172.8° |
| C14 | C1 | C2 | H2 | 0.4° | 0.7° |
| C1 | C14 | C16 | H16 | 87.2° | 67.2° |
| C1 | C14 | C16 | H16A | 34.1° | 52.8° |
| C16 | C17 | C25 | C18 | 179.8° | 179.6° |
| C16 | C17 | C25 | C24 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 180.0° | 179.8° |
| C17 | C16 | C14 | H14 | 30.1° | 53.2° |
| C17 | C16 | H16 | H16A | 118.7° | 120.1° |
| C16 | C17 | C25 | H25 | 0.1° | 0.1° |
| C16 | C17 | C18 | H18 | 0.0° | 0.1° |
| C17 | C25 | C24 | H25 | 180.0° | 179.9° |
| C17 | C25 | C24 | C21 | 0.0° | 0.1° |
| C25 | C17 | C18 | C19 | 0.2° | 0.6° |
| C25 | C17 | C16 | H16 | 162.4° | 23.4° |
| C25 | C17 | C16 | H16A | 41.1° | 143.4° |
| C17 | C25 | C24 | H24 | 180.0° | 179.9° |
| C25 | C17 | C18 | H18 | 179.8° | 179.7° |
| C18 | C17 | C25 | C24 | 0.1° | 0.4° |
| C17 | C18 | C19 | C21 | 0.1° | 0.5° |
| C17 | C18 | C19 | O20 | 179.9° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 17.4° | 156.2° |
| C18 | C17 | C16 | H16A | 138.7° | 36.2° |
| C18 | C17 | C25 | H25 | 179.8° | 179.7° |
| C25 | C24 | C21 | H24 | 180.0° | 180.0° |
| C25 | C24 | C21 | O22 | 180.0° | 179.9° |
| C25 | C24 | C21 | C19 | 0.0° | 0.0° |
| C24 | C21 | O22 | C19 | 179.9° | 179.9° |
| C24 | C21 | O22 | C23 | 14.4° | 0.0° |
| C24 | C21 | C19 | O20 | 180.0° | 180.0° |
| C24 | C21 | C19 | C18 | 0.0° | 0.2° |
| C21 | C24 | C25 | H25 | 180.0° | 180.0° |
| O22 | C21 | C19 | O20 | 0.1° | 0.1° |
| O22 | C21 | C19 | C18 | 179.9° | 179.7° |
| O22 | C21 | C24 | H24 | 0.0° | 0.1° |
| C21 | O22 | C23 | H23 | 27.8° | 179.9° |
| C21 | O22 | C23 | H23A | 147.8° | 60.0° |
| C21 | O22 | C23 | H23B | 92.2° | 60.0° |
| C19 | C21 | O22 | C23 | 165.6° | 180.0° |
| C21 | C19 | O20 | C18 | 180.0° | 179.8° |
| C19 | C21 | C24 | H24 | 179.9° | 180.0° |
| C21 | C19 | O20 | HO20 | 25.1° | 90.1° |
| C21 | C19 | C18 | H18 | 179.8° | 179.8° |
| O22 | C23 | H23 | H23A | 120.0° | 119.9° |
| O22 | C23 | H23 | H23B | 120.0° | 120.0° |
| O22 | C23 | H23A | H23B | 120.0° | 120.0° |
| O20 | C19 | C18 | H18 | 0.1° | 0.0° |
| C18 | C19 | O20 | HO20 | 154.8° | 89.7° |
| O6 | C7 | H7 | H7A | 120.0° | 120.1° |
| O6 | C7 | H7 | H7B | 120.0° | 119.9° |
| O6 | C7 | H7A | H7B | 120.0° | 119.9° |
| H10 | C10 | C11 | H11 | 29.5° | 50.9° |
| H10 | C10 | C11 | H11A | 149.1° | 69.7° |
| H10A | C10 | C11 | H11 | 91.7° | 170.5° |
| H10A | C10 | C11 | H11A | 27.9° | 49.9° |
| H14 | C14 | C16 | H16 | 150.2° | 173.3° |
| H14 | C14 | C16 | H16A | 88.5° | 66.7° |
| H25 | C25 | C24 | H24 | 0.0° | 0.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.1° |
| H13 | C13 | H13A | H13B | 120.0° | 119.9° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
