T7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.36Å | 1.36Å | |
| C | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C | sing | 1.39Å | 1.40Å | Aromatic |
| N | C5 | sing | 1.40Å | 1.41Å | |
| C6 | N | sing | 1.35Å | 1.35Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | N1 | sing | 1.35Å | 1.35Å | |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 123.1° | 120.1° |
| O | C | C5 | 117.9° | 120.1° |
| C | O | H | 109.5° | 114.0° |
| C | C1 | C2 | 119.9° | 120.0° |
| C1 | C | C5 | 119.0° | 119.8° |
| C | C1 | H1 | 120.1° | 119.9° |
| C1 | C2 | C3 | 120.5° | 120.2° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.8° | 119.9° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | H3 | 119.9° | 119.9° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C4 | C5 | C | 120.6° | 119.8° |
| C4 | C5 | N | 117.8° | 120.1° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C | C5 | N | 121.6° | 120.0° |
| C5 | N | C6 | 130.1° | 120.0° |
| C5 | N | H5 | 115.0° | 120.0° |
| N | C6 | O1 | 124.2° | 120.0° |
| N | C6 | C7 | 113.2° | 120.0° |
| C6 | N | H5 | 115.0° | 120.0° |
| O1 | C6 | C7 | 122.6° | 120.0° |
| C6 | C7 | C8 | 113.6° | 109.4° |
| C6 | C7 | C11 | 109.9° | 109.5° |
| C6 | C7 | H6 | 108.1° | 109.5° |
| C7 | C8 | C9 | 110.0° | 109.3° |
| C8 | C7 | C11 | 109.2° | 109.5° |
| C8 | C7 | H6 | 107.9° | 109.5° |
| C7 | C8 | H7 | 109.3° | 109.5° |
| C7 | C8 | H8 | 109.3° | 109.6° |
| C8 | C9 | N1 | 110.4° | 108.8° |
| C9 | C8 | H7 | 109.4° | 109.4° |
| C9 | C8 | H8 | 109.3° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.7° |
| C8 | C9 | H10 | 109.2° | 109.5° |
| C9 | N1 | C10 | 114.0° | 118.7° |
| C9 | N1 | C12 | 122.0° | 120.6° |
| N1 | C9 | H9 | 109.2° | 109.6° |
| N1 | C9 | H10 | 109.2° | 109.6° |
| N1 | C10 | C11 | 110.0° | 108.8° |
| C10 | N1 | C12 | 123.9° | 120.7° |
| N1 | C10 | H11 | 109.3° | 109.6° |
| N1 | C10 | H12 | 109.3° | 109.6° |
| C10 | C11 | C7 | 110.4° | 109.3° |
| C11 | C10 | H11 | 109.4° | 109.6° |
| C11 | C10 | H12 | 109.3° | 109.6° |
| C10 | C11 | H13 | 109.2° | 109.5° |
| C10 | C11 | H14 | 109.2° | 109.5° |
| C11 | C7 | H6 | 107.9° | 109.5° |
| C7 | C11 | H13 | 109.2° | 109.5° |
| C7 | C11 | H14 | 109.2° | 109.5° |
| N1 | C12 | O2 | 122.2° | 120.0° |
| N1 | C12 | C13 | 117.6° | 120.0° |
| O2 | C12 | C13 | 120.2° | 120.0° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C12 | C13 | H16 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.7° |
| H17 | C13 | H15 | 109.5° | 109.5° |
| H17 | C13 | H16 | 109.5° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C5 | 179.2° | 179.9° |
| O | C | C1 | C2 | 179.9° | 179.9° |
| O | C | C5 | C4 | 179.1° | 179.9° |
| O | C | C5 | N | 1.8° | 0.0° |
| O | C | C1 | H1 | 0.2° | 0.0° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.1° | 0.1° |
| C1 | C | C5 | C4 | 1.7° | 0.0° |
| C1 | C | C5 | N | 178.9° | 180.0° |
| C1 | C | O | H | 180.0° | 89.9° |
| C | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | C1 | C | C5 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.6° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C2 | C3 | C4 | H4 | 179.0° | 179.7° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C | 1.8° | 0.0° |
| C3 | C4 | C5 | N | 179.2° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C5 | C | N | 177.3° | 180.0° |
| C4 | C5 | N | C6 | 133.3° | 34.5° |
| C4 | C5 | N | H5 | 46.7° | 145.4° |
| C5 | C4 | C3 | H3 | 179.1° | 179.7° |
| C | C5 | N | C6 | 49.3° | 145.5° |
| C | C5 | C4 | H4 | 178.2° | 179.8° |
| C | C5 | N | H5 | 130.7° | 34.6° |
| C5 | C | O | H | 0.8° | 90.0° |
| C5 | C | C1 | H1 | 179.3° | 180.0° |
| C5 | N | C6 | H5 | 180.0° | 179.9° |
| C5 | N | C6 | O1 | 24.9° | 5.3° |
| C5 | N | C6 | C7 | 155.4° | 174.7° |
| N | C5 | C4 | H4 | 0.8° | 0.2° |
| N | C6 | O1 | C7 | 179.7° | 180.0° |
| N | C6 | C7 | C8 | 175.3° | 180.0° |
| N | C6 | C7 | C11 | 62.1° | 60.0° |
| N | C6 | C7 | H6 | 55.5° | 60.0° |
| O1 | C6 | C7 | C8 | 4.4° | 0.0° |
| O1 | C6 | C7 | C11 | 118.2° | 120.0° |
| O1 | C6 | C7 | H6 | 124.2° | 120.0° |
| O1 | C6 | N | H5 | 155.1° | 174.7° |
| C6 | C7 | C8 | C11 | 123.0° | 120.0° |
| C6 | C7 | C8 | H6 | 119.9° | 120.0° |
| C6 | C7 | C8 | C9 | 179.8° | 178.6° |
| C6 | C7 | C11 | C10 | 176.9° | 178.6° |
| C6 | C7 | C11 | H6 | 117.7° | 120.0° |
| C6 | C7 | C8 | H7 | 59.8° | 58.7° |
| C6 | C7 | C8 | H8 | 60.1° | 61.4° |
| C7 | C6 | N | H5 | 24.6° | 5.2° |
| C6 | C7 | C11 | H13 | 56.8° | 61.4° |
| C6 | C7 | C11 | H14 | 62.9° | 58.7° |
| C7 | C8 | C9 | H7 | 120.1° | 119.9° |
| C7 | C8 | C9 | H8 | 120.1° | 120.0° |
| C7 | C8 | C9 | N1 | 56.0° | 54.6° |
| C8 | C7 | C11 | C10 | 57.9° | 61.4° |
| C8 | C7 | C11 | H6 | 117.1° | 120.0° |
| C7 | C8 | H7 | H8 | 119.8° | 120.1° |
| C8 | C7 | C11 | H13 | 178.0° | 58.6° |
| C8 | C7 | C11 | H14 | 62.2° | 178.7° |
| C7 | C8 | C9 | H9 | 64.2° | 174.5° |
| C7 | C8 | C9 | H10 | 176.1° | 65.1° |
| C8 | C9 | N1 | H9 | 120.1° | 119.9° |
| C8 | C9 | N1 | H10 | 120.2° | 119.7° |
| C8 | C9 | N1 | C10 | 56.8° | 53.6° |
| C9 | C8 | C7 | C11 | 57.1° | 61.4° |
| C8 | C9 | N1 | C12 | 122.1° | 126.7° |
| C9 | C8 | C7 | H6 | 59.9° | 58.6° |
| C9 | C8 | H7 | H8 | 119.8° | 120.0° |
| C8 | C9 | H9 | H10 | 119.6° | 120.3° |
| C9 | N1 | C10 | C12 | 178.9° | 179.7° |
| C9 | N1 | C10 | C11 | 57.1° | 53.6° |
| C9 | N1 | C12 | O2 | 3.8° | 174.2° |
| C9 | N1 | C12 | C13 | 175.2° | 5.8° |
| N1 | C9 | C8 | H7 | 176.0° | 174.6° |
| N1 | C9 | C8 | H8 | 64.1° | 65.4° |
| C9 | N1 | C10 | H11 | 63.0° | 66.2° |
| C9 | N1 | C10 | H12 | 177.1° | 173.4° |
| N1 | C9 | H9 | H10 | 119.5° | 120.4° |
| N1 | C10 | C11 | H11 | 120.1° | 119.8° |
| N1 | C10 | C11 | H12 | 120.0° | 119.8° |
| N1 | C10 | C11 | C7 | 56.9° | 54.7° |
| C10 | N1 | C12 | O2 | 175.0° | 6.1° |
| C10 | N1 | C12 | C13 | 6.1° | 173.9° |
| N1 | C10 | H11 | H12 | 119.7° | 120.3° |
| N1 | C10 | C11 | H13 | 177.0° | 65.3° |
| N1 | C10 | C11 | H14 | 63.3° | 174.6° |
| C10 | N1 | C9 | H9 | 63.3° | 173.4° |
| C10 | N1 | C9 | H10 | 177.0° | 66.2° |
| C10 | C11 | C7 | H13 | 120.1° | 119.9° |
| C10 | C11 | C7 | H14 | 120.1° | 120.0° |
| C11 | C10 | N1 | C12 | 121.8° | 126.7° |
| C10 | C11 | C7 | H6 | 59.2° | 58.6° |
| C11 | C10 | H11 | H12 | 119.8° | 120.4° |
| C10 | C11 | H13 | H14 | 119.6° | 120.1° |
| C11 | C7 | C8 | H7 | 177.2° | 178.7° |
| C11 | C7 | C8 | H8 | 62.9° | 58.6° |
| C7 | C11 | C10 | H11 | 63.2° | 65.2° |
| C7 | C11 | C10 | H12 | 176.9° | 174.5° |
| C7 | C11 | H13 | H14 | 119.6° | 120.1° |
| N1 | C12 | O2 | C13 | 178.9° | 180.0° |
| C12 | N1 | C10 | H11 | 118.1° | 113.5° |
| C12 | N1 | C10 | H12 | 1.7° | 6.8° |
| N1 | C12 | C13 | H17 | 179.0° | 5.5° |
| N1 | C12 | C13 | H15 | 61.0° | 114.5° |
| N1 | C12 | C13 | H16 | 59.0° | 125.5° |
| C12 | N1 | C9 | H9 | 117.8° | 6.9° |
| C12 | N1 | C9 | H10 | 1.9° | 113.6° |
| O2 | C12 | C13 | H17 | 0.0° | 174.5° |
| O2 | C12 | C13 | H15 | 120.0° | 65.5° |
| O2 | C12 | C13 | H16 | 120.0° | 54.5° |
| C12 | C13 | H17 | H15 | 120.0° | 120.1° |
| C12 | C13 | H17 | H16 | 120.0° | 120.0° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| H4 | C4 | C3 | H3 | 1.0° | 0.1° |
| H6 | C7 | C8 | H7 | 60.1° | 61.2° |
| H6 | C7 | C8 | H8 | 180.0° | 178.6° |
| H6 | C7 | C11 | H13 | 60.9° | 178.6° |
| H6 | C7 | C11 | H14 | 179.3° | 61.3° |
| H7 | C8 | C9 | H9 | 55.9° | 65.6° |
| H7 | C8 | C9 | H10 | 63.8° | 54.8° |
| H8 | C8 | C9 | H9 | 175.8° | 54.4° |
| H8 | C8 | C9 | H10 | 56.0° | 174.8° |
| H11 | C10 | C11 | H13 | 56.9° | 174.9° |
| H11 | C10 | C11 | H14 | 176.7° | 54.8° |
| H12 | C10 | C11 | H13 | 63.0° | 54.5° |
| H12 | C10 | C11 | H14 | 56.8° | 65.6° |
| H17 | C13 | H15 | H16 | 120.0° | 119.9° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H2 | C2 | C3 | H3 | 0.0° | 0.3° |
