H5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C7 | sing | 1.74Å | 1.74Å | |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.36Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C3 | N1 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C7 | C8 | 117.9° | 120.0° |
| CL1 | C7 | C6 | 120.0° | 120.0° |
| C8 | C7 | C6 | 122.1° | 120.0° |
| C7 | C8 | C3 | 118.9° | 119.9° |
| C7 | C8 | H5 | 120.5° | 120.0° |
| C7 | C6 | C5 | 118.6° | 120.2° |
| C7 | C6 | H4 | 120.7° | 119.9° |
| C8 | C3 | N1 | 122.0° | 120.1° |
| C8 | C3 | C4 | 119.8° | 119.9° |
| C3 | C8 | H5 | 120.5° | 120.0° |
| O1 | C2 | N1 | 124.2° | 120.0° |
| O1 | C2 | C1 | 119.8° | 119.9° |
| C6 | C5 | C4 | 120.9° | 120.1° |
| C6 | C5 | H3 | 119.6° | 120.0° |
| C5 | C6 | H4 | 120.7° | 119.9° |
| N1 | C2 | C1 | 115.9° | 120.0° |
| C2 | N1 | C3 | 127.0° | 120.0° |
| C2 | N1 | H1 | 116.5° | 120.0° |
| C2 | C1 | C9 | 110.0° | 109.5° |
| C2 | C1 | H7 | 109.3° | 109.4° |
| C2 | C1 | H8 | 109.3° | 109.5° |
| N1 | C3 | C4 | 118.3° | 120.0° |
| C3 | N1 | H1 | 116.5° | 120.0° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C3 | C4 | H2 | 120.1° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C11 | C10 | H6 | 120.1° | 120.0° |
| C10 | C11 | H9 | 119.7° | 119.9° |
| C10 | C9 | C1 | 121.1° | 120.0° |
| C10 | C9 | C14 | 119.4° | 120.0° |
| C9 | C10 | H6 | 120.1° | 119.9° |
| C1 | C9 | C14 | 119.6° | 119.9° |
| C9 | C1 | H7 | 109.3° | 109.4° |
| C9 | C1 | H8 | 109.3° | 109.5° |
| C5 | C4 | H2 | 120.1° | 120.1° |
| C4 | C5 | H3 | 119.6° | 119.9° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C12 | C11 | H9 | 119.7° | 120.0° |
| C11 | C12 | H10 | 120.1° | 120.0° |
| C9 | C14 | C13 | 121.1° | 120.0° |
| C9 | C14 | H11 | 119.5° | 120.0° |
| C12 | C13 | C14 | 119.3° | 119.8° |
| C12 | C13 | O2 | 123.0° | 120.1° |
| C13 | C12 | H10 | 120.1° | 120.0° |
| C14 | C13 | O2 | 117.7° | 120.1° |
| C13 | C14 | H11 | 119.4° | 120.0° |
| C13 | O2 | H12 | 109.5° | 114.1° |
| H7 | C1 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C7 | C8 | C6 | 179.1° | 179.8° |
| CL1 | C7 | C8 | C3 | 179.5° | 180.0° |
| CL1 | C7 | C6 | C5 | 179.6° | 179.8° |
| CL1 | C7 | C6 | H4 | 0.4° | 0.2° |
| CL1 | C7 | C8 | H5 | 0.4° | 0.2° |
| C7 | C8 | C3 | H5 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 1.2° | 0.0° |
| C7 | C8 | C3 | N1 | 179.9° | 180.0° |
| C7 | C8 | C3 | C4 | 0.8° | 0.5° |
| C8 | C7 | C6 | H4 | 178.7° | 180.0° |
| C6 | C7 | C8 | C3 | 0.4° | 0.2° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.9° | 0.0° |
| C7 | C6 | C5 | H3 | 179.1° | 179.9° |
| C6 | C7 | C8 | H5 | 179.6° | 180.0° |
| C8 | C3 | N1 | C2 | 20.6° | 146.8° |
| C8 | C3 | N1 | C4 | 179.3° | 179.4° |
| C8 | C3 | C4 | C5 | 1.1° | 0.5° |
| C8 | C3 | N1 | H1 | 159.4° | 32.9° |
| C8 | C3 | C4 | H2 | 178.9° | 179.7° |
| O1 | C2 | N1 | C1 | 178.4° | 179.9° |
| O1 | C2 | N1 | C3 | 4.3° | 5.1° |
| O1 | C2 | C1 | C9 | 60.4° | 0.1° |
| O1 | C2 | N1 | H1 | 175.7° | 174.6° |
| O1 | C2 | C1 | H7 | 59.6° | 120.0° |
| O1 | C2 | C1 | H8 | 179.5° | 119.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 179.7° | 180.0° |
| C2 | N1 | C3 | H1 | 180.0° | 179.7° |
| C2 | N1 | C3 | C4 | 160.1° | 33.8° |
| N1 | C2 | C1 | C9 | 121.1° | 180.0° |
| N1 | C2 | C1 | H7 | 118.8° | 60.0° |
| N1 | C2 | C1 | H8 | 1.0° | 60.0° |
| C1 | C2 | N1 | C3 | 174.1° | 175.0° |
| C2 | C1 | C9 | C10 | 101.2° | 89.9° |
| C2 | C1 | C9 | H7 | 120.1° | 120.0° |
| C2 | C1 | C9 | H8 | 120.1° | 120.1° |
| C2 | C1 | C9 | C14 | 78.1° | 90.0° |
| C1 | C2 | N1 | H1 | 5.9° | 5.4° |
| C2 | C1 | H7 | H8 | 119.8° | 120.0° |
| N1 | C3 | C4 | C5 | 179.5° | 180.0° |
| N1 | C3 | C4 | H2 | 0.5° | 0.3° |
| N1 | C3 | C8 | H5 | 0.1° | 0.3° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | N1 | H1 | 20.0° | 146.6° |
| C3 | C4 | C5 | H3 | 179.8° | 179.8° |
| C4 | C3 | C8 | H5 | 179.2° | 179.7° |
| C11 | C10 | C9 | H6 | 180.0° | 179.7° |
| C11 | C10 | C9 | C1 | 179.8° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 0.5° | 0.0° |
| C10 | C11 | C12 | C13 | 2.2° | 0.1° |
| C10 | C11 | C12 | H10 | 177.8° | 180.0° |
| C10 | C9 | C1 | C14 | 179.3° | 179.9° |
| C9 | C10 | C11 | C12 | 1.4° | 0.0° |
| C10 | C9 | C14 | C13 | 0.4° | 0.1° |
| C10 | C9 | C1 | H7 | 18.9° | 30.0° |
| C10 | C9 | C1 | H8 | 138.7° | 150.0° |
| C9 | C10 | C11 | H9 | 178.6° | 180.0° |
| C10 | C9 | C14 | H11 | 179.6° | 180.0° |
| C1 | C9 | C14 | C13 | 179.8° | 180.0° |
| C1 | C9 | C10 | H6 | 0.2° | 0.2° |
| C9 | C1 | H7 | H8 | 119.7° | 120.0° |
| C1 | C9 | C14 | H11 | 0.3° | 0.1° |
| C4 | C5 | C6 | H4 | 179.1° | 180.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 2.1° | 0.0° |
| C11 | C12 | C13 | O2 | 179.8° | 180.0° |
| C12 | C11 | C10 | H6 | 178.6° | 179.7° |
| C9 | C14 | C13 | C12 | 1.3° | 0.0° |
| C9 | C14 | C13 | H11 | 180.0° | 179.9° |
| C9 | C14 | C13 | O2 | 179.0° | 179.9° |
| C14 | C9 | C10 | H6 | 179.5° | 179.7° |
| C14 | C9 | C1 | H7 | 161.8° | 150.1° |
| C14 | C9 | C1 | H8 | 42.0° | 30.1° |
| C12 | C13 | C14 | O2 | 177.8° | 179.9° |
| C13 | C12 | C11 | H9 | 177.8° | 180.0° |
| C12 | C13 | C14 | H11 | 178.7° | 179.9° |
| C12 | C13 | O2 | H12 | 180.0° | 90.0° |
| C14 | C13 | C12 | H10 | 177.9° | 180.0° |
| C14 | C13 | O2 | H12 | 2.3° | 90.0° |
| O2 | C13 | C12 | H10 | 0.2° | 0.1° |
| O2 | C13 | C14 | H11 | 1.0° | 0.0° |
| H2 | C4 | C5 | H3 | 0.2° | 0.1° |
| H3 | C5 | C6 | H4 | 0.9° | 0.1° |
| H6 | C10 | C11 | H9 | 1.4° | 0.3° |
| H9 | C11 | C12 | H10 | 2.2° | 0.0° |
