G5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C10 | sing | 1.35Å | 1.34Å | |
| N9 | N8 | sing | 1.40Å | 1.40Å | |
| S18 | C10 | doub | 1.71Å | 1.71Å | |
| C10 | N11 | sing | 1.35Å | 1.35Å | |
| N8 | C7 | doub | 1.30Å | 1.31Å | |
| F19 | C13 | sing | 1.35Å | 1.35Å | |
| N11 | C7 | sing | 1.38Å | 1.39Å | |
| N11 | C12 | sing | 1.40Å | 1.41Å | |
| C7 | C4 | sing | 1.48Å | 1.48Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| O20 | C3 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O21 | sing | 1.36Å | 1.35Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N9 | H7 | sing | 0.97Å | 1.00Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| O20 | H9 | sing | 0.97Å | 0.95Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N9 | N8 | 107.8° | 107.6° |
| N9 | C10 | S18 | 126.1° | 126.2° |
| N9 | C10 | N11 | 108.1° | 107.7° |
| C10 | N9 | H7 | 126.1° | 126.2° |
| N9 | N8 | C7 | 107.7° | 108.0° |
| N8 | N9 | H7 | 126.1° | 126.2° |
| S18 | C10 | N11 | 125.8° | 126.2° |
| C10 | N11 | C7 | 107.6° | 108.2° |
| C10 | N11 | C12 | 125.3° | 125.9° |
| N8 | C7 | N11 | 108.8° | 108.5° |
| N8 | C7 | C4 | 126.2° | 125.7° |
| F19 | C13 | C12 | 119.0° | 120.1° |
| F19 | C13 | C14 | 120.9° | 120.0° |
| C7 | N11 | C12 | 127.0° | 125.9° |
| N11 | C7 | C4 | 125.0° | 125.8° |
| N11 | C12 | C13 | 119.3° | 120.1° |
| N11 | C12 | C17 | 121.1° | 120.0° |
| C7 | C4 | C5 | 120.5° | 120.1° |
| C7 | C4 | C3 | 119.0° | 120.1° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C13 | C12 | C17 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C13 | C14 | H2 | 120.0° | 120.0° |
| C12 | C17 | C16 | 120.2° | 119.9° |
| C12 | C17 | H8 | 119.9° | 120.0° |
| C5 | C4 | C3 | 120.3° | 119.8° |
| C4 | C5 | C6 | 119.4° | 119.9° |
| C4 | C5 | H5 | 120.3° | 120.1° |
| C4 | C3 | O20 | 120.2° | 120.1° |
| C4 | C3 | C2 | 119.8° | 119.8° |
| O20 | C3 | C2 | 120.0° | 120.1° |
| C3 | O20 | H9 | 109.5° | 114.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C15 | C14 | H2 | 120.0° | 120.0° |
| C14 | C15 | H3 | 120.0° | 120.0° |
| C5 | C6 | C1 | 120.0° | 120.2° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C3 | C2 | C1 | 119.5° | 120.0° |
| C3 | C2 | H1 | 120.3° | 119.9° |
| C17 | C16 | C15 | 120.1° | 120.2° |
| C17 | C16 | H4 | 119.9° | 119.9° |
| C16 | C17 | H8 | 119.9° | 120.1° |
| C16 | C15 | H3 | 120.0° | 119.9° |
| C15 | C16 | H4 | 120.0° | 119.9° |
| C6 | C1 | C2 | 121.0° | 120.2° |
| C6 | C1 | O21 | 119.4° | 119.9° |
| C1 | C6 | H6 | 120.0° | 119.9° |
| C2 | C1 | O21 | 119.6° | 119.9° |
| C1 | C2 | H1 | 120.3° | 120.0° |
| C1 | O21 | H10 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N9 | N8 | H7 | 180.0° | 179.7° |
| N9 | C10 | S18 | N11 | 179.3° | 179.5° |
| C10 | N9 | N8 | C7 | 1.6° | 0.0° |
| N9 | C10 | N11 | C7 | 0.6° | 0.4° |
| N9 | C10 | N11 | C12 | 179.9° | 180.0° |
| N8 | N9 | C10 | S18 | 180.0° | 179.9° |
| N8 | N9 | C10 | N11 | 0.6° | 0.3° |
| N9 | N8 | C7 | N11 | 2.0° | 0.2° |
| N9 | N8 | C7 | C4 | 178.4° | 180.0° |
| S18 | C10 | N11 | C7 | 178.8° | 180.0° |
| S18 | C10 | N11 | C12 | 0.7° | 0.4° |
| S18 | C10 | N9 | H7 | 0.0° | 0.4° |
| C10 | N11 | C7 | N8 | 1.7° | 0.4° |
| C10 | N11 | C7 | C12 | 179.5° | 179.6° |
| C10 | N11 | C7 | C4 | 178.1° | 179.9° |
| C10 | N11 | C12 | C13 | 73.7° | 90.3° |
| C10 | N11 | C12 | C17 | 107.2° | 90.0° |
| N11 | C10 | N9 | H7 | 179.4° | 180.0° |
| N8 | C7 | N11 | C4 | 176.5° | 179.7° |
| N8 | C7 | N11 | C12 | 178.8° | 180.0° |
| N8 | C7 | C4 | C5 | 133.5° | 174.6° |
| N8 | C7 | C4 | C3 | 52.0° | 5.5° |
| C7 | N8 | N9 | H7 | 178.4° | 179.7° |
| F19 | C13 | C12 | N11 | 0.7° | 0.3° |
| F19 | C13 | C12 | C14 | 179.8° | 180.0° |
| F19 | C13 | C12 | C17 | 179.8° | 180.0° |
| F19 | C13 | C14 | C15 | 179.8° | 180.0° |
| F19 | C13 | C14 | H2 | 0.2° | 0.0° |
| C7 | N11 | C12 | C13 | 105.7° | 89.2° |
| C7 | N11 | C12 | C17 | 73.4° | 90.5° |
| N11 | C7 | C4 | C5 | 50.7° | 5.7° |
| N11 | C7 | C4 | C3 | 123.9° | 174.2° |
| C12 | N11 | C7 | C4 | 2.4° | 0.3° |
| N11 | C12 | C13 | C17 | 179.1° | 179.7° |
| N11 | C12 | C13 | C14 | 179.5° | 179.7° |
| N11 | C12 | C17 | C16 | 179.3° | 179.7° |
| N11 | C12 | C17 | H8 | 0.6° | 0.3° |
| C7 | C4 | C5 | C3 | 174.5° | 180.0° |
| C7 | C4 | C3 | O20 | 5.4° | 0.0° |
| C7 | C4 | C5 | C6 | 175.6° | 179.7° |
| C7 | C4 | C3 | C2 | 175.4° | 180.0° |
| C7 | C4 | C5 | H5 | 4.4° | 0.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C12 | C17 | C16 | 0.2° | 0.0° |
| C12 | C13 | C14 | H2 | 179.6° | 180.0° |
| C13 | C12 | C17 | H8 | 179.7° | 180.0° |
| C14 | C13 | C12 | C17 | 0.4° | 0.0° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H3 | 179.7° | 180.0° |
| C12 | C17 | C16 | H8 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.0° |
| C12 | C17 | C16 | H4 | 179.9° | 179.9° |
| C5 | C4 | C3 | O20 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.5° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C4 | C3 | O20 | C2 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.2° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 178.8° | 180.0° |
| C4 | C3 | O20 | H9 | 180.0° | 90.0° |
| O20 | C3 | C2 | C1 | 179.0° | 180.0° |
| O20 | C3 | C2 | H1 | 1.0° | 0.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | H4 | 179.8° | 179.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.6° | 0.6° |
| C5 | C6 | C1 | O21 | 179.3° | 179.8° |
| C3 | C2 | C1 | C6 | 1.0° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O21 | 179.7° | 180.0° |
| C2 | C3 | O20 | H9 | 0.8° | 89.9° |
| C17 | C16 | C15 | H4 | 180.0° | 179.9° |
| C17 | C16 | C15 | H3 | 179.8° | 180.0° |
| C16 | C15 | C14 | H2 | 179.7° | 180.0° |
| C15 | C16 | C17 | H8 | 179.8° | 180.0° |
| C6 | C1 | C2 | O21 | 178.7° | 179.7° |
| C6 | C1 | C2 | H1 | 179.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.5° | 179.7° |
| C6 | C1 | O21 | H10 | 180.0° | 90.3° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C2 | C1 | O21 | H10 | 1.3° | 90.0° |
| O21 | C1 | C2 | H1 | 0.3° | 0.0° |
| O21 | C1 | C6 | H6 | 0.7° | 0.3° |
| H2 | C14 | C15 | H3 | 0.3° | 0.0° |
| H3 | C15 | C16 | H4 | 0.2° | 0.1° |
| H4 | C16 | C17 | H8 | 0.2° | 0.1° |
| H5 | C5 | C6 | H6 | 0.5° | 0.2° |
