RE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.36Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| OA1 | C2 | sing | 1.36Å | 1.38Å | |
| C20 | C15 | sing | 1.42Å | 1.49Å | Aromatic |
| C20 | C11 | sing | 1.46Å | 1.48Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.51Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.50Å | Aromatic |
| OB2 | SB | doub | 1.42Å | 1.48Å | |
| N2 | C11 | sing | 1.36Å | 1.37Å | |
| N2 | N1 | doub | 1.29Å | 1.24Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | SB | sing | 1.76Å | 1.60Å | |
| C14 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| OB3 | SB | doub | 1.42Å | 1.49Å | |
| C1 | N1 | sing | 1.36Å | 1.40Å | |
| C1 | C10 | doub | 1.46Å | 1.50Å | Aromatic |
| SB | OB4 | sing | 1.52Å | 1.49Å | |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.42Å | 1.50Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| OA1 | H15 | sing | 0.97Å | 0.95Å | |
| OB4 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.4° | 120.9° |
| C18 | C17 | C16 | 122.2° | 121.0° |
| C17 | C18 | H4 | 119.8° | 119.5° |
| C18 | C17 | H5 | 118.9° | 119.5° |
| C18 | C19 | C20 | 119.0° | 119.6° |
| C18 | C19 | H3 | 120.5° | 120.1° |
| C19 | C18 | H4 | 119.8° | 119.6° |
| C17 | C16 | C15 | 119.5° | 119.6° |
| C16 | C17 | H5 | 118.9° | 119.5° |
| C17 | C16 | H6 | 120.3° | 120.2° |
| C19 | C20 | C15 | 121.1° | 119.6° |
| C19 | C20 | C11 | 122.3° | 121.5° |
| C20 | C19 | H3 | 120.5° | 120.2° |
| C16 | C15 | C20 | 117.8° | 119.3° |
| C16 | C15 | C14 | 124.8° | 121.3° |
| C15 | C16 | H6 | 120.2° | 120.2° |
| OA1 | C2 | C3 | 120.9° | 119.9° |
| OA1 | C2 | C1 | 120.2° | 119.8° |
| C2 | OA1 | H15 | 109.5° | 114.0° |
| C15 | C20 | C11 | 116.6° | 118.9° |
| C20 | C15 | C14 | 117.4° | 119.4° |
| C20 | C11 | N2 | 121.0° | 120.7° |
| C20 | C11 | C12 | 121.8° | 118.6° |
| C15 | C14 | SB | 124.6° | 119.7° |
| C15 | C14 | C13 | 120.1° | 120.6° |
| C2 | C3 | C4 | 122.7° | 121.8° |
| C3 | C2 | C1 | 118.9° | 120.4° |
| C2 | C3 | H14 | 118.6° | 119.0° |
| C3 | C4 | C5 | 121.9° | 120.8° |
| C3 | C4 | H13 | 119.1° | 119.6° |
| C4 | C3 | H14 | 118.6° | 119.1° |
| C2 | C1 | N1 | 119.0° | 120.7° |
| C2 | C1 | C10 | 118.8° | 118.5° |
| OB2 | SB | C14 | 107.4° | 106.4° |
| OB2 | SB | OB3 | 110.4° | 123.2° |
| OB2 | SB | OB4 | 107.3° | 106.4° |
| C11 | N2 | N1 | 122.9° | 120.0° |
| N2 | C11 | C12 | 116.5° | 120.7° |
| N2 | N1 | C1 | 113.7° | 120.0° |
| C11 | C12 | C13 | 121.5° | 120.5° |
| C11 | C12 | H2 | 119.3° | 119.7° |
| SB | C14 | C13 | 115.3° | 119.7° |
| C14 | SB | OB3 | 110.5° | 106.4° |
| C14 | SB | OB4 | 110.2° | 107.2° |
| C14 | C13 | C12 | 122.4° | 121.9° |
| C14 | C13 | H1 | 118.8° | 119.0° |
| C4 | C5 | C10 | 119.9° | 119.6° |
| C4 | C5 | C6 | 121.7° | 121.3° |
| C5 | C4 | H13 | 119.0° | 119.6° |
| OB3 | SB | OB4 | 110.9° | 106.4° |
| N1 | C1 | C10 | 121.7° | 120.7° |
| C1 | C10 | C5 | 117.7° | 118.9° |
| C1 | C10 | C9 | 122.7° | 121.5° |
| SB | OB4 | H16 | 109.5° | 114.0° |
| C12 | C13 | H1 | 118.8° | 119.1° |
| C13 | C12 | H2 | 119.3° | 119.7° |
| C10 | C5 | C6 | 118.5° | 119.2° |
| C5 | C10 | C9 | 119.6° | 119.7° |
| C5 | C6 | C7 | 119.9° | 119.7° |
| C5 | C6 | H12 | 120.1° | 120.2° |
| C10 | C9 | C8 | 119.6° | 119.6° |
| C10 | C9 | H9 | 120.2° | 120.2° |
| C6 | C7 | C8 | 121.5° | 121.0° |
| C6 | C7 | H11 | 119.3° | 119.6° |
| C7 | C6 | H12 | 120.0° | 120.1° |
| C9 | C8 | C7 | 121.0° | 120.9° |
| C8 | C9 | H9 | 120.2° | 120.2° |
| C9 | C8 | H10 | 119.5° | 119.5° |
| C7 | C8 | H10 | 119.5° | 119.6° |
| C8 | C7 | H11 | 119.2° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H4 | 180.0° | 179.9° |
| C18 | C17 | C16 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | C15 | 0.5° | 0.1° |
| C17 | C18 | C19 | H3 | 179.9° | 180.0° |
| C18 | C17 | C16 | H6 | 179.5° | 180.0° |
| C19 | C18 | C17 | C16 | 0.7° | 0.1° |
| C18 | C19 | C20 | H3 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 0.5° | 0.1° |
| C18 | C19 | C20 | C11 | 177.2° | 180.0° |
| C19 | C18 | C17 | H5 | 179.3° | 179.9° |
| C17 | C16 | C15 | H6 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 0.1° | 0.1° |
| C17 | C16 | C15 | C14 | 179.6° | 179.9° |
| C16 | C17 | C18 | H4 | 179.4° | 180.0° |
| C19 | C20 | C15 | C16 | 0.6° | 0.1° |
| C19 | C20 | C15 | C11 | 177.8° | 179.9° |
| C19 | C20 | C15 | C14 | 179.8° | 179.9° |
| C19 | C20 | C11 | N2 | 7.5° | 0.1° |
| C19 | C20 | C11 | C12 | 177.3° | 179.8° |
| C20 | C19 | C18 | H4 | 179.9° | 180.0° |
| C16 | C15 | C20 | C14 | 179.6° | 180.0° |
| C16 | C15 | C20 | C11 | 177.2° | 180.0° |
| C16 | C15 | C14 | SB | 0.7° | 0.0° |
| C16 | C15 | C14 | C13 | 179.6° | 179.7° |
| C15 | C16 | C17 | H5 | 179.5° | 180.0° |
| OA1 | C2 | C3 | C1 | 178.5° | 179.5° |
| OA1 | C2 | C3 | C4 | 179.5° | 180.0° |
| OA1 | C2 | C1 | N1 | 5.6° | 0.2° |
| OA1 | C2 | C1 | C10 | 177.5° | 180.0° |
| OA1 | C2 | C3 | H14 | 0.4° | 0.5° |
| C15 | C20 | C11 | N2 | 174.7° | 180.0° |
| C15 | C20 | C11 | C12 | 5.0° | 0.3° |
| C20 | C15 | C14 | SB | 178.9° | 180.0° |
| C20 | C15 | C14 | C13 | 0.1° | 0.3° |
| C15 | C20 | C19 | H3 | 179.5° | 180.0° |
| C20 | C15 | C16 | H6 | 179.9° | 180.0° |
| C11 | C20 | C15 | C14 | 2.4° | 0.0° |
| C20 | C11 | N2 | C12 | 170.3° | 179.7° |
| C20 | C11 | N2 | N1 | 172.1° | 180.0° |
| C20 | C11 | C12 | C13 | 5.0° | 0.3° |
| C20 | C11 | C12 | H2 | 175.0° | 179.8° |
| C11 | C20 | C19 | H3 | 2.8° | 0.1° |
| C15 | C14 | SB | OB2 | 62.2° | 31.8° |
| C15 | C14 | SB | C13 | 179.0° | 179.7° |
| C15 | C14 | SB | OB3 | 58.3° | 164.7° |
| C15 | C14 | SB | OB4 | 178.8° | 81.7° |
| C15 | C14 | C13 | C12 | 0.3° | 0.3° |
| C15 | C14 | C13 | H1 | 179.7° | 179.8° |
| C14 | C15 | C16 | H6 | 0.4° | 0.0° |
| C2 | C3 | C4 | H14 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C3 | C2 | C1 | N1 | 175.9° | 179.7° |
| C3 | C2 | C1 | C10 | 4.0° | 0.5° |
| C2 | C3 | C4 | H13 | 179.8° | 179.7° |
| C3 | C2 | OA1 | H15 | 180.0° | 89.9° |
| C4 | C3 | C2 | C1 | 2.0° | 0.6° |
| C3 | C4 | C5 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | C10 | 0.5° | 0.1° |
| C3 | C4 | C5 | C6 | 180.0° | 180.0° |
| C2 | C1 | N1 | N2 | 5.1° | 0.2° |
| C2 | C1 | N1 | C10 | 171.6° | 179.8° |
| C2 | C1 | C10 | C5 | 4.2° | 0.2° |
| C2 | C1 | C10 | C9 | 177.8° | 179.7° |
| C1 | C2 | C3 | H14 | 178.0° | 180.0° |
| C1 | C2 | OA1 | H15 | 1.5° | 90.6° |
| OB2 | SB | C14 | OB3 | 120.5° | 132.9° |
| OB2 | SB | C14 | OB4 | 116.6° | 113.5° |
| OB2 | SB | C14 | C13 | 116.8° | 148.5° |
| OB2 | SB | OB3 | OB4 | 118.8° | 123.0° |
| OB2 | SB | OB4 | H16 | 0.0° | 66.5° |
| C11 | N2 | N1 | C1 | 171.3° | 180.0° |
| N2 | C11 | C12 | C13 | 175.2° | 180.0° |
| N2 | C11 | C12 | H2 | 4.8° | 0.1° |
| N1 | N2 | C11 | C12 | 17.6° | 0.3° |
| N2 | N1 | C1 | C10 | 166.6° | 180.0° |
| C11 | C12 | C13 | C14 | 2.2° | 0.0° |
| C11 | C12 | C13 | H2 | 180.0° | 179.9° |
| C11 | C12 | C13 | H1 | 177.7° | 179.9° |
| C14 | SB | OB3 | OB4 | 122.5° | 114.1° |
| SB | C14 | C13 | C12 | 178.7° | 180.0° |
| SB | C14 | C13 | H1 | 1.3° | 0.1° |
| C14 | SB | OB4 | H16 | 116.6° | 180.0° |
| C13 | C14 | SB | OB3 | 122.8° | 15.6° |
| C13 | C14 | SB | OB4 | 0.2° | 98.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | H2 | 177.8° | 179.9° |
| C4 | C5 | C10 | C1 | 2.5° | 0.0° |
| C4 | C5 | C10 | C6 | 179.6° | 179.9° |
| C4 | C5 | C10 | C9 | 179.5° | 179.9° |
| C4 | C5 | C6 | C7 | 179.3° | 179.9° |
| C4 | C5 | C6 | H12 | 0.7° | 0.1° |
| C5 | C4 | C3 | H14 | 179.8° | 179.8° |
| OB3 | SB | OB4 | H16 | 120.7° | 66.5° |
| N1 | C1 | C10 | C5 | 175.9° | 180.0° |
| N1 | C1 | C10 | C9 | 6.2° | 0.1° |
| C1 | C10 | C5 | C9 | 178.0° | 179.9° |
| C1 | C10 | C5 | C6 | 177.9° | 180.0° |
| C1 | C10 | C9 | C8 | 177.5° | 180.0° |
| C1 | C10 | C9 | H9 | 2.4° | 0.1° |
| C10 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C10 | C9 | C8 | 0.4° | 0.0° |
| C5 | C10 | C9 | H9 | 179.7° | 180.0° |
| C10 | C5 | C6 | H12 | 179.8° | 180.0° |
| C10 | C5 | C4 | H13 | 179.5° | 180.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.0° |
| C5 | C6 | C7 | H12 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | H11 | 179.4° | 180.0° |
| C6 | C5 | C4 | H13 | 0.0° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.8° | 0.1° |
| C10 | C9 | C8 | H10 | 179.2° | 180.0° |
| C6 | C7 | C8 | C9 | 0.9° | 0.1° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | H10 | 179.1° | 180.0° |
| C9 | C8 | C7 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H11 | 179.1° | 180.0° |
| C7 | C8 | C9 | H9 | 179.3° | 180.0° |
| C8 | C7 | C6 | H12 | 179.4° | 180.0° |
| H1 | C13 | C12 | H2 | 2.2° | 0.0° |
| H3 | C19 | C18 | H4 | 0.1° | 0.1° |
| H4 | C18 | C17 | H5 | 0.6° | 0.1° |
| H5 | C17 | C16 | H6 | 0.5° | 0.0° |
| H9 | C9 | C8 | H10 | 0.7° | 0.1° |
| H10 | C8 | C7 | H11 | 0.9° | 0.0° |
| H11 | C7 | C6 | H12 | 0.6° | 0.0° |
| H13 | C4 | C3 | H14 | 0.2° | 0.3° |
