4GE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.75Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.36Å | 1.34Å | Aromatic |
| C7 | N11 | doub | 1.31Å | 1.37Å | Aromatic |
| N8 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| N11 | C10 | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.57Å | |
| C10 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | O15 | doub | 1.21Å | 1.25Å | |
| C13 | O14 | sing | 1.35Å | 1.25Å | |
| C9 | C16 | sing | 1.47Å | 1.57Å | |
| C16 | O18 | doub | 1.22Å | 1.23Å | |
| C16 | N17 | sing | 1.35Å | 1.35Å | |
| N17 | C21 | sing | 1.47Å | 1.50Å | |
| N17 | C19 | sing | 1.47Å | 1.50Å | |
| C19 | C20 | sing | 1.51Å | 1.56Å | |
| C20 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 121.1° | 119.9° |
| C5 | C6 | CL1 | 120.5° | 119.9° |
| C5 | C6 | C1 | 119.1° | 120.1° |
| C6 | C5 | H5 | 119.4° | 120.1° |
| C5 | C4 | C3 | 119.2° | 119.7° |
| C5 | C4 | C7 | 119.0° | 120.1° |
| C4 | C5 | H5 | 119.4° | 120.1° |
| CL1 | C6 | C1 | 120.3° | 120.0° |
| C6 | C1 | C2 | 120.3° | 120.3° |
| C6 | C1 | H1 | 119.9° | 119.8° |
| C1 | C2 | C3 | 119.1° | 120.2° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | H2 | 120.5° | 119.9° |
| C2 | C3 | C4 | 121.0° | 119.9° |
| C3 | C2 | H2 | 120.4° | 119.9° |
| C2 | C3 | H3 | 119.5° | 120.1° |
| C3 | C4 | C7 | 121.6° | 120.2° |
| C4 | C3 | H3 | 119.5° | 120.1° |
| C4 | C7 | N8 | 121.4° | 125.3° |
| C4 | C7 | N11 | 129.6° | 125.4° |
| N8 | C7 | N11 | 109.0° | 109.3° |
| C7 | N8 | C9 | 108.7° | 107.3° |
| C7 | N8 | H8 | 125.6° | 126.4° |
| C7 | N11 | C10 | 107.6° | 109.5° |
| N8 | C9 | C10 | 107.3° | 106.4° |
| N8 | C9 | C16 | 118.9° | 126.8° |
| C9 | N8 | H8 | 125.7° | 126.4° |
| N11 | C10 | C13 | 124.1° | 126.2° |
| N11 | C10 | C9 | 107.3° | 107.6° |
| C13 | C10 | C9 | 128.6° | 126.2° |
| C10 | C13 | O15 | 119.6° | 120.0° |
| C10 | C13 | O14 | 120.5° | 120.0° |
| C10 | C9 | C16 | 133.8° | 126.8° |
| O15 | C13 | O14 | 119.9° | 120.0° |
| C13 | O14 | H14 | 109.5° | 117.0° |
| C9 | C16 | O18 | 120.3° | 120.0° |
| C9 | C16 | N17 | 117.4° | 120.0° |
| O18 | C16 | N17 | 121.9° | 120.0° |
| C16 | N17 | C21 | 118.9° | 120.0° |
| C16 | N17 | C19 | 119.0° | 120.0° |
| C21 | N17 | C19 | 122.1° | 120.0° |
| N17 | C21 | H211 | 109.5° | 109.4° |
| N17 | C21 | H212 | 109.5° | 109.5° |
| N17 | C21 | H213 | 109.5° | 109.5° |
| N17 | C19 | C20 | 107.1° | 109.5° |
| N17 | C19 | H191 | 110.3° | 109.5° |
| N17 | C19 | H192 | 110.8° | 109.4° |
| C19 | C20 | C22 | 120.8° | 120.0° |
| C19 | C20 | C26 | 120.9° | 120.0° |
| C20 | C19 | H191 | 110.3° | 109.5° |
| C20 | C19 | H192 | 110.8° | 109.5° |
| C22 | C20 | C26 | 118.3° | 120.0° |
| C20 | C22 | C23 | 121.0° | 120.0° |
| C20 | C22 | H22 | 119.5° | 120.0° |
| C20 | C26 | C25 | 120.7° | 120.0° |
| C20 | C26 | H26 | 119.7° | 120.0° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C23 | C22 | H22 | 119.5° | 120.0° |
| C22 | C23 | H23 | 119.6° | 120.0° |
| C23 | C24 | C25 | 118.8° | 120.0° |
| C24 | C23 | H23 | 119.6° | 120.0° |
| C23 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C26 | C25 | H25 | 119.8° | 119.9° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H191 | C19 | H192 | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C5 | C6 | CL1 | C1 | 177.4° | 179.9° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 3.4° | 0.0° |
| C6 | C5 | C4 | C7 | 179.9° | 180.0° |
| C5 | C6 | C1 | H1 | 179.8° | 180.0° |
| C4 | C5 | C6 | CL1 | 179.4° | 180.0° |
| C4 | C5 | C6 | C1 | 2.0° | 0.0° |
| C5 | C4 | C3 | C2 | 3.0° | 0.0° |
| C5 | C4 | C3 | C7 | 176.5° | 179.9° |
| C5 | C4 | C7 | N8 | 13.2° | 180.0° |
| C5 | C4 | C7 | N11 | 166.9° | 0.3° |
| C5 | C4 | C3 | H3 | 177.0° | 179.9° |
| CL1 | C6 | C1 | C2 | 177.6° | 180.0° |
| CL1 | C6 | C5 | H5 | 0.6° | 0.3° |
| CL1 | C6 | C1 | H1 | 2.3° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C5 | H5 | 178.0° | 179.7° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C1 | C2 | C3 | H3 | 178.8° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 179.4° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C3 | C4 | C7 | N8 | 163.3° | 0.1° |
| C3 | C4 | C7 | N11 | 16.7° | 179.7° |
| C3 | C4 | C5 | H5 | 176.6° | 179.7° |
| C4 | C3 | C2 | H2 | 178.7° | 179.9° |
| C4 | C7 | N8 | N11 | 180.0° | 179.8° |
| C4 | C7 | N8 | C9 | 179.2° | 180.0° |
| C4 | C7 | N11 | C10 | 178.7° | 180.0° |
| C7 | C4 | C5 | H5 | 0.0° | 0.3° |
| C7 | C4 | C3 | H3 | 0.6° | 0.1° |
| C4 | C7 | N8 | H8 | 0.8° | 0.1° |
| C7 | N8 | C9 | H8 | 180.0° | 179.9° |
| N8 | C7 | N11 | C10 | 1.2° | 0.2° |
| C7 | N8 | C9 | C10 | 0.0° | 0.1° |
| C7 | N8 | C9 | C16 | 179.8° | 180.0° |
| N11 | C7 | N8 | C9 | 0.8° | 0.2° |
| C7 | N11 | C10 | C13 | 178.7° | 180.0° |
| C7 | N11 | C10 | C9 | 1.2° | 0.2° |
| N11 | C7 | N8 | H8 | 179.2° | 179.7° |
| N8 | C9 | C10 | N11 | 0.7° | 0.0° |
| N8 | C9 | C10 | C13 | 179.2° | 179.9° |
| N8 | C9 | C10 | C16 | 179.8° | 179.9° |
| N8 | C9 | C16 | O18 | 102.5° | 76.6° |
| N8 | C9 | C16 | N17 | 70.1° | 103.4° |
| N11 | C10 | C13 | C9 | 179.9° | 179.8° |
| N11 | C10 | C13 | O15 | 5.7° | 179.9° |
| N11 | C10 | C13 | O14 | 173.5° | 0.0° |
| N11 | C10 | C9 | C16 | 179.4° | 179.9° |
| C10 | C13 | O15 | O14 | 179.3° | 180.0° |
| C13 | C10 | C9 | C16 | 0.7° | 0.0° |
| C10 | C13 | O14 | H14 | 179.3° | 180.0° |
| C9 | C10 | C13 | O15 | 174.2° | 0.2° |
| C9 | C10 | C13 | O14 | 6.6° | 179.8° |
| C10 | C9 | C16 | O18 | 77.7° | 103.5° |
| C10 | C9 | C16 | N17 | 109.7° | 76.5° |
| C10 | C9 | N8 | H8 | 180.0° | 179.8° |
| O15 | C13 | O14 | H14 | 0.0° | 0.1° |
| C9 | C16 | O18 | N17 | 172.2° | 179.9° |
| C9 | C16 | N17 | C21 | 6.0° | 5.0° |
| C9 | C16 | N17 | C19 | 173.7° | 175.0° |
| C16 | C9 | N8 | H8 | 0.2° | 0.1° |
| O18 | C16 | N17 | C21 | 178.4° | 175.1° |
| O18 | C16 | N17 | C19 | 1.3° | 5.0° |
| C16 | N17 | C21 | C19 | 179.6° | 180.0° |
| C16 | N17 | C19 | C20 | 118.4° | 90.0° |
| C16 | N17 | C21 | H211 | 85.0° | 94.4° |
| C16 | N17 | C21 | H212 | 155.0° | 145.5° |
| C16 | N17 | C21 | H213 | 35.0° | 25.5° |
| C16 | N17 | C19 | H191 | 121.6° | 150.0° |
| C16 | N17 | C19 | H192 | 2.5° | 30.0° |
| C21 | N17 | C19 | C20 | 61.2° | 90.0° |
| N17 | C21 | H211 | H212 | 120.0° | 120.0° |
| N17 | C21 | H211 | H213 | 120.0° | 120.0° |
| N17 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | N17 | C19 | H191 | 58.8° | 30.0° |
| C21 | N17 | C19 | H192 | 177.8° | 150.0° |
| N17 | C19 | C20 | H191 | 120.0° | 120.0° |
| N17 | C19 | C20 | H192 | 120.9° | 120.0° |
| N17 | C19 | C20 | C22 | 59.4° | 90.0° |
| N17 | C19 | C20 | C26 | 118.9° | 90.3° |
| C19 | N17 | C21 | H211 | 95.4° | 85.6° |
| C19 | N17 | C21 | H212 | 24.7° | 34.4° |
| C19 | N17 | C21 | H213 | 144.7° | 154.5° |
| N17 | C19 | H191 | H192 | 120.9° | 120.0° |
| C19 | C20 | C22 | C26 | 178.4° | 179.7° |
| C19 | C20 | C22 | C23 | 179.6° | 180.0° |
| C19 | C20 | C26 | C25 | 179.0° | 179.8° |
| C20 | C19 | H191 | H192 | 121.0° | 120.0° |
| C19 | C20 | C22 | H22 | 0.4° | 0.1° |
| C19 | C20 | C26 | H26 | 1.0° | 0.0° |
| C20 | C22 | C23 | H22 | 180.0° | 179.9° |
| C20 | C22 | C23 | C24 | 1.2° | 0.0° |
| C22 | C20 | C26 | C25 | 0.6° | 0.5° |
| C22 | C20 | C19 | H191 | 179.4° | 30.0° |
| C22 | C20 | C19 | H192 | 61.5° | 150.0° |
| C22 | C20 | C26 | H26 | 179.4° | 179.7° |
| C20 | C22 | C23 | H23 | 178.8° | 179.9° |
| C26 | C20 | C22 | C23 | 1.2° | 0.3° |
| C20 | C26 | C25 | C24 | 0.1° | 0.5° |
| C20 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C20 | C19 | H191 | 1.1° | 149.7° |
| C26 | C20 | C19 | H192 | 120.1° | 29.7° |
| C26 | C20 | C22 | H22 | 178.8° | 179.8° |
| C20 | C26 | C25 | H25 | 179.9° | 179.8° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.7° | 0.0° |
| C22 | C23 | C24 | H24 | 179.3° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| C24 | C23 | C22 | H22 | 178.7° | 179.9° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.9° | 179.7° |
| C25 | C24 | C23 | H23 | 179.4° | 179.9° |
| C26 | C25 | C24 | H24 | 179.9° | 179.8° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H2 | C2 | C3 | H3 | 1.2° | 0.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H22 | C22 | C23 | H23 | 1.2° | 0.0° |
| H26 | C26 | C25 | H25 | 0.1° | 0.0° |
| H23 | C23 | C24 | H24 | 0.7° | 0.1° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
