XG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | doub | 1.35Å | 1.34Å | |
| C3 | N1 | sing | 1.41Å | 1.36Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| C4 | O1 | doub | 1.22Å | 1.21Å | |
| C4 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.41Å | |
| C9 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C11 | sing | 1.46Å | 1.43Å | |
| C11 | O2 | doub | 1.22Å | 1.24Å | |
| C11 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C12 | sing | 1.40Å | 1.41Å | |
| C12 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.42Å | |
| N4 | C18 | sing | 1.46Å | 1.45Å | |
| C2 | N4 | sing | 1.37Å | 1.36Å | |
| C5 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 126.6° | 125.7° |
| C1 | C2 | N4 | 124.8° | 125.7° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C3 | N1 | 126.7° | 126.4° |
| C2 | C3 | C11 | 111.1° | 107.2° |
| C3 | C2 | N4 | 108.1° | 108.7° |
| C3 | N1 | C4 | 128.3° | 120.0° |
| N1 | C3 | C11 | 121.2° | 126.4° |
| C3 | N1 | H4 | 115.9° | 120.0° |
| N1 | C4 | O1 | 121.4° | 120.1° |
| N1 | C4 | C5 | 113.2° | 119.9° |
| C4 | N1 | H4 | 115.8° | 120.1° |
| O1 | C4 | C5 | 125.2° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.1° |
| C4 | C5 | C10 | 121.3° | 120.1° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C6 | C5 | C10 | 119.0° | 119.8° |
| C5 | C6 | H5 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.2° |
| C7 | C6 | H5 | 119.8° | 120.0° |
| C6 | C7 | H6 | 120.0° | 119.8° |
| C7 | C8 | C9 | 121.3° | 120.3° |
| C8 | C7 | H6 | 120.0° | 120.0° |
| C7 | C8 | H7 | 119.3° | 119.9° |
| C8 | C9 | N2 | 121.5° | 120.0° |
| C8 | C9 | C10 | 118.2° | 120.0° |
| C9 | C8 | H7 | 119.4° | 119.9° |
| N2 | C9 | C10 | 120.3° | 120.0° |
| C9 | N2 | H9 | 109.5° | 120.0° |
| C9 | N2 | H8 | 109.5° | 120.0° |
| C9 | C10 | C5 | 120.9° | 119.8° |
| C9 | C10 | H10 | 119.5° | 120.1° |
| C3 | C11 | O2 | 132.0° | 126.5° |
| C3 | C11 | N3 | 103.4° | 106.9° |
| O2 | C11 | N3 | 124.2° | 126.6° |
| C11 | N3 | C12 | 125.4° | 125.9° |
| C11 | N3 | N4 | 109.4° | 108.1° |
| N3 | C12 | C13 | 120.8° | 120.1° |
| C12 | N3 | N4 | 125.1° | 126.0° |
| N3 | C12 | C17 | 118.5° | 120.1° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C13 | C12 | C17 | 120.7° | 119.8° |
| C12 | C13 | H11 | 120.4° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.1° |
| C13 | C14 | H12 | 119.8° | 120.0° |
| C14 | C13 | H11 | 120.4° | 120.0° |
| C14 | C15 | C16 | 119.0° | 120.2° |
| C15 | C14 | H12 | 119.7° | 120.0° |
| C14 | C15 | H13 | 120.5° | 119.9° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C16 | C15 | H13 | 120.5° | 119.9° |
| C15 | C16 | H14 | 119.6° | 120.0° |
| C16 | C17 | C12 | 119.7° | 119.9° |
| C17 | C16 | H14 | 119.6° | 120.0° |
| C16 | C17 | H15 | 120.2° | 120.0° |
| N3 | N4 | C18 | 124.6° | 125.5° |
| N3 | N4 | C2 | 107.2° | 109.1° |
| C18 | N4 | C2 | 128.1° | 125.4° |
| N4 | C18 | H17 | 109.5° | 109.5° |
| N4 | C18 | H18 | 109.5° | 109.5° |
| N4 | C18 | H16 | 109.5° | 109.5° |
| C5 | C10 | H10 | 119.6° | 120.1° |
| C12 | C17 | H15 | 120.2° | 120.0° |
| H9 | N2 | H8 | 109.5° | 120.0° |
| H3 | C1 | H1 | 109.4° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H16 | 109.5° | 109.5° |
| H18 | C18 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N4 | 172.1° | 179.8° |
| C1 | C2 | C3 | N1 | 11.1° | 0.0° |
| C1 | C2 | C3 | C11 | 179.4° | 180.0° |
| C1 | C2 | N4 | N3 | 176.7° | 179.8° |
| C1 | C2 | N4 | C18 | 0.9° | 0.1° |
| C2 | C1 | H3 | H1 | 120.0° | 120.1° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | N1 | C11 | 167.2° | 180.0° |
| C2 | C3 | N1 | C4 | 61.8° | 121.6° |
| C2 | C3 | C11 | O2 | 178.4° | 180.0° |
| C2 | C3 | C11 | N3 | 8.9° | 0.3° |
| C3 | C2 | N4 | N3 | 4.4° | 0.0° |
| C3 | C2 | N4 | C18 | 173.2° | 179.8° |
| C2 | C3 | N1 | H4 | 118.2° | 58.4° |
| C3 | C2 | C1 | H3 | 180.0° | 0.0° |
| C3 | C2 | C1 | H1 | 60.0° | 120.0° |
| C3 | C2 | C1 | H2 | 60.0° | 120.0° |
| C3 | N1 | C4 | H4 | 180.0° | 180.0° |
| C3 | N1 | C4 | O1 | 5.3° | 5.5° |
| C3 | N1 | C4 | C5 | 179.3° | 174.2° |
| N1 | C3 | C11 | O2 | 9.3° | 0.1° |
| N1 | C3 | C11 | N3 | 177.9° | 179.7° |
| N1 | C3 | C2 | N4 | 176.7° | 179.9° |
| N1 | C4 | O1 | C5 | 174.8° | 179.7° |
| N1 | C4 | C5 | C6 | 151.7° | 0.2° |
| C4 | N1 | C3 | C11 | 105.4° | 58.4° |
| N1 | C4 | C5 | C10 | 33.9° | 180.0° |
| O1 | C4 | C5 | C6 | 33.1° | 180.0° |
| O1 | C4 | C5 | C10 | 141.3° | 0.2° |
| O1 | C4 | N1 | H4 | 174.7° | 174.5° |
| C4 | C5 | C6 | C10 | 174.5° | 179.8° |
| C4 | C5 | C6 | C7 | 179.2° | 180.0° |
| C4 | C5 | C10 | C9 | 178.0° | 179.7° |
| C4 | C5 | C6 | H5 | 0.8° | 0.0° |
| C4 | C5 | C10 | H10 | 2.0° | 0.0° |
| C5 | C4 | N1 | H4 | 0.7° | 5.7° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.9° | 0.0° |
| C6 | C5 | C10 | C9 | 3.6° | 0.5° |
| C5 | C6 | C7 | H6 | 178.2° | 180.0° |
| C6 | C5 | C10 | H10 | 176.4° | 179.7° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 2.2° | 0.0° |
| C7 | C6 | C5 | C10 | 4.7° | 0.2° |
| C6 | C7 | C8 | H7 | 177.8° | 179.9° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | N2 | 175.1° | 180.0° |
| C7 | C8 | C9 | C10 | 3.3° | 0.3° |
| C8 | C7 | C6 | H5 | 178.1° | 180.0° |
| C8 | C9 | N2 | C10 | 178.4° | 179.7° |
| C8 | C9 | C10 | C5 | 0.3° | 0.5° |
| C9 | C8 | C7 | H6 | 177.8° | 180.0° |
| C8 | C9 | C10 | H10 | 179.7° | 179.7° |
| C8 | C9 | N2 | H9 | 180.0° | 0.0° |
| C8 | C9 | N2 | H8 | 60.0° | 180.0° |
| N2 | C9 | C10 | C5 | 178.1° | 179.7° |
| N2 | C9 | C8 | H7 | 4.9° | 0.0° |
| N2 | C9 | C10 | H10 | 1.9° | 0.0° |
| C9 | N2 | H9 | H8 | 120.0° | 180.0° |
| C9 | C10 | C5 | H10 | 180.0° | 179.8° |
| C10 | C9 | C8 | H7 | 176.7° | 179.8° |
| C10 | C9 | N2 | H9 | 1.7° | 179.8° |
| C10 | C9 | N2 | H8 | 118.4° | 0.3° |
| C3 | C11 | O2 | N3 | 171.5° | 179.6° |
| C3 | C11 | N3 | C12 | 176.4° | 179.8° |
| C3 | C11 | N3 | N4 | 5.9° | 0.3° |
| C11 | C3 | C2 | N4 | 8.5° | 0.2° |
| C11 | C3 | N1 | H4 | 74.6° | 121.6° |
| O2 | C11 | N3 | C12 | 2.9° | 0.1° |
| O2 | C11 | N3 | N4 | 179.4° | 180.0° |
| C11 | N3 | C12 | N4 | 177.3° | 179.9° |
| C11 | N3 | C12 | C13 | 83.0° | 131.0° |
| C11 | N3 | N4 | C18 | 178.9° | 180.0° |
| C11 | N3 | N4 | C2 | 1.2° | 0.2° |
| C11 | N3 | C12 | C17 | 98.4° | 49.5° |
| N3 | C12 | C13 | C17 | 178.6° | 179.4° |
| N3 | C12 | C13 | C14 | 178.6° | 180.0° |
| N3 | C12 | C17 | C16 | 179.5° | 179.7° |
| C12 | N3 | N4 | C18 | 3.4° | 0.1° |
| C12 | N3 | N4 | C2 | 178.9° | 179.9° |
| N3 | C12 | C13 | H11 | 1.4° | 0.0° |
| N3 | C12 | C17 | H15 | 0.5° | 0.5° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.7° | 0.0° |
| C13 | C12 | C17 | C16 | 0.9° | 0.8° |
| C13 | C12 | N3 | N4 | 94.3° | 48.9° |
| C12 | C13 | C14 | H12 | 177.3° | 179.7° |
| C13 | C12 | C17 | H15 | 179.1° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 4.5° | 0.3° |
| C14 | C13 | C12 | C17 | 0.1° | 0.6° |
| C13 | C14 | C15 | H13 | 175.5° | 179.7° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 3.6° | 0.0° |
| C15 | C14 | C13 | H11 | 177.3° | 180.0° |
| C14 | C15 | C16 | H14 | 176.4° | 179.9° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 1.0° | 0.5° |
| C16 | C15 | C14 | H12 | 175.5° | 180.0° |
| C15 | C16 | C17 | H15 | 179.0° | 179.7° |
| C16 | C17 | C12 | H15 | 180.0° | 179.2° |
| C17 | C16 | C15 | H13 | 176.4° | 180.0° |
| N3 | N4 | C18 | C2 | 177.2° | 179.7° |
| N4 | N3 | C12 | C17 | 84.2° | 130.5° |
| N3 | N4 | C18 | H17 | 180.0° | 87.8° |
| N3 | N4 | C18 | H18 | 60.0° | 152.1° |
| N3 | N4 | C18 | H16 | 60.0° | 32.2° |
| N4 | C18 | H17 | H18 | 120.0° | 120.1° |
| N4 | C18 | H17 | H16 | 120.0° | 120.0° |
| N4 | C18 | H18 | H16 | 120.0° | 120.0° |
| N4 | C2 | C1 | H3 | 9.1° | 179.9° |
| N4 | C2 | C1 | H1 | 110.9° | 59.8° |
| N4 | C2 | C1 | H2 | 129.1° | 60.1° |
| C2 | N4 | C18 | H17 | 2.8° | 92.5° |
| C2 | N4 | C18 | H18 | 122.8° | 27.6° |
| C2 | N4 | C18 | H16 | 117.2° | 147.5° |
| C10 | C5 | C6 | H5 | 175.3° | 179.8° |
| C17 | C12 | C13 | H11 | 180.0° | 179.5° |
| C12 | C17 | C16 | H14 | 179.1° | 179.5° |
| H12 | C14 | C13 | H11 | 2.7° | 0.3° |
| H12 | C14 | C15 | H13 | 4.5° | 0.1° |
| H5 | C6 | C7 | H6 | 1.8° | 0.0° |
| H6 | C7 | C8 | H7 | 2.2° | 0.1° |
| H3 | C1 | H1 | H2 | 120.0° | 119.9° |
| H13 | C15 | C16 | H14 | 3.6° | 0.0° |
| H14 | C16 | C17 | H15 | 0.9° | 0.3° |
| H17 | C18 | H18 | H16 | 120.0° | 120.0° |
