6T7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.48Å | 1.48Å | |
| C5 | N1 | doub | 1.31Å | 1.32Å | |
| C5 | C8 | sing | 1.41Å | 1.44Å | |
| N1 | N2 | sing | 1.28Å | 1.40Å | |
| C8 | C7 | doub | 1.36Å | 1.34Å | |
| O1 | C11 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.35Å | 1.43Å | |
| C11 | O2 | sing | 1.34Å | 1.30Å | |
| C7 | C6 | sing | 1.41Å | 1.41Å | |
| C6 | O | doub | 1.22Å | 1.21Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C4 | N | 123.3° | 121.0° |
| C4 | C | C1 | 118.3° | 119.3° |
| C | C4 | H3 | 118.4° | 119.6° |
| C4 | C | H | 120.8° | 120.3° |
| C4 | N | C3 | 117.7° | 121.9° |
| N | C4 | H3 | 118.4° | 119.5° |
| C | C1 | C2 | 120.0° | 118.3° |
| C | C1 | H1 | 120.0° | 120.9° |
| C1 | C | H | 120.9° | 120.3° |
| N | C3 | C2 | 123.4° | 120.6° |
| N | C3 | H2 | 118.3° | 119.7° |
| C1 | C2 | C3 | 117.3° | 118.9° |
| C1 | C2 | C5 | 121.5° | 120.5° |
| C2 | C1 | H1 | 120.0° | 120.8° |
| C3 | C2 | C5 | 121.1° | 120.5° |
| C2 | C3 | H2 | 118.3° | 119.8° |
| C2 | C5 | N1 | 116.2° | 119.9° |
| C2 | C5 | C8 | 121.5° | 119.9° |
| N1 | C5 | C8 | 122.3° | 120.2° |
| C5 | N1 | N2 | 116.0° | 122.3° |
| C5 | C8 | C7 | 120.5° | 118.2° |
| C5 | C8 | H5 | 119.8° | 120.9° |
| N1 | N2 | C9 | 117.2° | 119.1° |
| N1 | N2 | C6 | 125.4° | 121.8° |
| C8 | C7 | C6 | 121.3° | 117.9° |
| C8 | C7 | H4 | 119.4° | 121.1° |
| C7 | C8 | H5 | 119.7° | 120.9° |
| O1 | C11 | C10 | 120.0° | 120.1° |
| O1 | C11 | O2 | 123.4° | 120.0° |
| C11 | C10 | C9 | 115.2° | 109.4° |
| C10 | C11 | O2 | 116.6° | 120.0° |
| C11 | C10 | H9 | 108.0° | 109.5° |
| C11 | C10 | H8 | 108.1° | 109.4° |
| C10 | C9 | N2 | 114.7° | 109.5° |
| C10 | C9 | H7 | 108.1° | 109.5° |
| C10 | C9 | H6 | 108.2° | 109.5° |
| C9 | C10 | H9 | 108.0° | 109.5° |
| C9 | C10 | H8 | 108.0° | 109.5° |
| C9 | N2 | C6 | 117.3° | 119.1° |
| N2 | C9 | H7 | 108.2° | 109.4° |
| N2 | C9 | H6 | 108.2° | 109.5° |
| N2 | C6 | C7 | 114.5° | 119.5° |
| N2 | C6 | O | 120.0° | 120.3° |
| C11 | O2 | H10 | 109.5° | 117.0° |
| C7 | C6 | O | 125.5° | 120.2° |
| C6 | C7 | H4 | 119.3° | 121.0° |
| H7 | C9 | H6 | 109.5° | 109.5° |
| H9 | C10 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C4 | N | H3 | 180.0° | 179.7° |
| C4 | C | C1 | H | 180.0° | 180.0° |
| C | C4 | N | C3 | 0.7° | 0.0° |
| C4 | C | C1 | C2 | 2.1° | 0.1° |
| C4 | C | C1 | H1 | 177.9° | 180.0° |
| N | C4 | C | C1 | 1.3° | 0.1° |
| C4 | N | C3 | C2 | 1.9° | 0.0° |
| C4 | N | C3 | H2 | 178.1° | 180.0° |
| N | C4 | C | H | 178.7° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 1.0° | 0.1° |
| C | C1 | C2 | C5 | 177.9° | 180.0° |
| C1 | C | C4 | H3 | 178.7° | 179.7° |
| N | C3 | C2 | C1 | 1.1° | 0.1° |
| N | C3 | C2 | H2 | 180.0° | 179.9° |
| N | C3 | C2 | C5 | 175.9° | 180.0° |
| C3 | N | C4 | H3 | 179.3° | 179.7° |
| C1 | C2 | C3 | C5 | 177.0° | 179.9° |
| C1 | C2 | C5 | N1 | 27.3° | 0.0° |
| C1 | C2 | C5 | C8 | 155.4° | 179.7° |
| C1 | C2 | C3 | H2 | 178.9° | 180.0° |
| C2 | C1 | C | H | 177.9° | 180.0° |
| C3 | C2 | C5 | N1 | 155.9° | 180.0° |
| C3 | C2 | C5 | C8 | 21.5° | 0.2° |
| C3 | C2 | C1 | H1 | 179.0° | 180.0° |
| C2 | C5 | N1 | C8 | 177.3° | 179.7° |
| C2 | C5 | N1 | N2 | 177.5° | 179.7° |
| C2 | C5 | C8 | C7 | 176.8° | 179.8° |
| C2 | C5 | C8 | H5 | 3.2° | 0.2° |
| C5 | C2 | C1 | H1 | 2.0° | 0.0° |
| C5 | C2 | C3 | H2 | 4.1° | 0.1° |
| N1 | C5 | C8 | C7 | 0.4° | 0.0° |
| C5 | N1 | N2 | C9 | 176.3° | 180.0° |
| C5 | N1 | N2 | C6 | 0.4° | 0.0° |
| N1 | C5 | C8 | H5 | 179.6° | 180.0° |
| C8 | C5 | N1 | N2 | 0.2° | 0.0° |
| C5 | C8 | C7 | H5 | 180.0° | 180.0° |
| C5 | C8 | C7 | C6 | 0.9° | 0.0° |
| C5 | C8 | C7 | H4 | 179.1° | 180.0° |
| N1 | N2 | C9 | C10 | 5.6° | 90.0° |
| N1 | N2 | C9 | C6 | 176.3° | 180.0° |
| N1 | N2 | C6 | C7 | 0.1° | 0.0° |
| N1 | N2 | C6 | O | 179.5° | 180.0° |
| N1 | N2 | C9 | H7 | 126.3° | 30.0° |
| N1 | N2 | C9 | H6 | 115.2° | 150.0° |
| C8 | C7 | C6 | N2 | 0.8° | 0.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | O | 179.9° | 180.0° |
| O1 | C11 | C10 | O2 | 177.7° | 179.9° |
| O1 | C11 | C10 | C9 | 162.6° | 0.0° |
| O1 | C11 | C10 | H9 | 41.8° | 120.0° |
| O1 | C11 | C10 | H8 | 76.5° | 120.0° |
| O1 | C11 | O2 | H10 | 0.0° | 0.0° |
| C11 | C10 | C9 | H9 | 120.9° | 120.0° |
| C11 | C10 | C9 | H8 | 120.9° | 120.0° |
| C11 | C10 | C9 | N2 | 81.2° | 180.0° |
| C11 | C10 | C9 | H7 | 158.0° | 60.0° |
| C11 | C10 | C9 | H6 | 39.5° | 60.0° |
| C11 | C10 | H9 | H8 | 117.4° | 120.0° |
| C10 | C11 | O2 | H10 | 177.6° | 180.0° |
| C10 | C9 | N2 | H7 | 120.7° | 120.0° |
| C10 | C9 | N2 | H6 | 120.8° | 120.0° |
| C10 | C9 | N2 | C6 | 178.1° | 90.0° |
| C9 | C10 | C11 | O2 | 15.1° | 180.0° |
| C10 | C9 | H7 | H6 | 117.6° | 120.0° |
| C9 | C10 | H9 | H8 | 117.4° | 120.1° |
| C9 | N2 | C6 | C7 | 175.8° | 180.0° |
| C9 | N2 | C6 | O | 3.6° | 0.0° |
| N2 | C9 | H7 | H6 | 117.6° | 120.0° |
| N2 | C9 | C10 | H9 | 39.6° | 60.0° |
| N2 | C9 | C10 | H8 | 157.9° | 60.0° |
| N2 | C6 | C7 | O | 179.4° | 180.0° |
| N2 | C6 | C7 | H4 | 179.2° | 180.0° |
| C6 | N2 | C9 | H7 | 57.4° | 150.0° |
| C6 | N2 | C9 | H6 | 61.1° | 30.0° |
| O2 | C11 | C10 | H9 | 135.9° | 60.0° |
| O2 | C11 | C10 | H8 | 105.8° | 60.0° |
| C6 | C7 | C8 | H5 | 179.1° | 180.0° |
| O | C6 | C7 | H4 | 0.1° | 0.1° |
| H3 | C4 | C | H | 1.3° | 0.3° |
| H4 | C7 | C8 | H5 | 0.9° | 0.0° |
| H7 | C9 | C10 | H9 | 81.2° | 180.0° |
| H7 | C9 | C10 | H8 | 37.1° | 59.9° |
| H6 | C9 | C10 | H9 | 160.4° | 60.0° |
| H6 | C9 | C10 | H8 | 81.3° | 180.0° |
| H1 | C1 | C | H | 2.1° | 0.0° |
