T7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.55Å | 1.53Å | |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C2 | sing | 1.50Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.36Å | |
| N1 | C | sing | 1.35Å | 1.35Å | |
| N | C | sing | 1.34Å | 1.38Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 119.9° | 120.3° |
| C6 | C7 | C8 | 120.2° | 119.9° |
| C7 | C6 | H4 | 120.1° | 119.9° |
| C6 | C7 | H5 | 119.9° | 120.1° |
| C6 | C5 | C4 | 129.4° | 130.4° |
| C6 | C5 | C10 | 119.6° | 119.8° |
| C5 | C6 | H4 | 120.0° | 119.8° |
| C5 | C4 | C3 | 104.4° | 105.2° |
| C4 | C5 | C10 | 110.9° | 109.8° |
| C5 | C4 | H2 | 110.7° | 110.3° |
| C5 | C4 | H3 | 110.7° | 110.3° |
| C4 | C3 | C2 | 106.3° | 102.2° |
| C3 | C4 | H2 | 110.7° | 110.3° |
| C3 | C4 | H3 | 110.7° | 110.2° |
| C4 | C3 | H8 | 110.3° | 110.8° |
| C4 | C3 | H9 | 110.3° | 110.9° |
| C7 | C8 | C9 | 120.4° | 119.9° |
| C8 | C7 | H5 | 119.9° | 120.0° |
| C7 | C8 | H6 | 119.8° | 120.1° |
| C5 | C10 | C9 | 120.4° | 119.6° |
| C5 | C10 | C2 | 110.3° | 109.2° |
| C3 | C2 | C10 | 102.6° | 106.4° |
| C3 | C2 | C1 | 108.6° | 111.2° |
| C3 | C2 | N1 | 113.2° | 111.3° |
| C2 | C3 | H8 | 110.3° | 110.9° |
| C2 | C3 | H9 | 110.3° | 110.9° |
| C8 | C9 | C10 | 119.4° | 120.4° |
| C9 | C8 | H6 | 119.8° | 120.0° |
| C8 | C9 | H10 | 120.3° | 119.9° |
| C9 | C10 | C2 | 129.0° | 131.2° |
| C10 | C9 | H10 | 120.3° | 119.6° |
| C10 | C2 | C1 | 121.4° | 111.6° |
| C10 | C2 | N1 | 111.5° | 111.9° |
| C1 | C2 | N1 | 99.9° | 104.6° |
| C2 | C1 | O1 | 126.0° | 127.4° |
| C2 | C1 | N | 107.6° | 105.2° |
| C2 | N1 | C | 113.1° | 106.2° |
| C2 | N1 | H1 | 123.4° | 126.9° |
| O1 | C1 | N | 126.4° | 127.4° |
| C1 | N | C | 111.6° | 111.6° |
| C1 | N | H7 | 124.2° | 124.2° |
| N1 | C | N | 107.6° | 112.4° |
| N1 | C | O | 127.3° | 123.8° |
| C | N1 | H1 | 123.5° | 126.9° |
| N | C | O | 125.1° | 123.8° |
| C | N | H7 | 124.2° | 124.2° |
| H2 | C4 | H3 | 109.5° | 110.3° |
| H8 | C3 | H9 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 173.5° | 179.9° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 3.1° | 0.2° |
| C6 | C7 | C8 | C9 | 0.1° | 0.2° |
| C6 | C7 | C8 | H6 | 179.9° | 179.9° |
| C6 | C5 | C4 | C10 | 176.8° | 180.0° |
| C6 | C5 | C4 | C3 | 172.2° | 163.1° |
| C5 | C6 | C7 | C8 | 2.0° | 0.0° |
| C6 | C5 | C10 | C9 | 2.1° | 0.2° |
| C6 | C5 | C10 | C2 | 172.0° | 179.5° |
| C6 | C5 | C4 | H2 | 68.6° | 77.9° |
| C6 | C5 | C4 | H3 | 53.1° | 44.3° |
| C5 | C6 | C7 | H5 | 178.0° | 179.9° |
| C5 | C4 | C3 | H2 | 119.2° | 119.0° |
| C5 | C4 | C3 | H3 | 119.2° | 118.9° |
| C5 | C4 | C3 | C2 | 17.6° | 25.4° |
| C4 | C5 | C10 | C9 | 175.0° | 179.8° |
| C4 | C5 | C10 | C2 | 10.9° | 0.5° |
| C5 | C4 | H2 | H3 | 122.4° | 122.1° |
| C4 | C5 | C6 | H4 | 6.5° | 0.1° |
| C5 | C4 | C3 | H8 | 137.1° | 143.6° |
| C5 | C4 | C3 | H9 | 101.9° | 92.8° |
| C3 | C4 | C5 | C10 | 4.6° | 16.9° |
| C4 | C3 | C2 | H8 | 119.5° | 118.1° |
| C4 | C3 | C2 | H9 | 119.5° | 118.2° |
| C4 | C3 | C2 | C10 | 23.2° | 25.4° |
| C4 | C3 | C2 | C1 | 152.9° | 147.1° |
| C4 | C3 | C2 | N1 | 97.0° | 96.7° |
| C3 | C4 | H2 | H3 | 122.3° | 122.1° |
| C4 | C3 | H8 | H9 | 121.5° | 123.6° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.1° | 0.1° |
| C8 | C7 | C6 | H4 | 178.0° | 180.0° |
| C7 | C8 | C9 | H10 | 178.9° | 179.9° |
| C5 | C10 | C2 | C3 | 21.2° | 16.3° |
| C5 | C10 | C9 | C8 | 0.0° | 0.1° |
| C5 | C10 | C9 | C2 | 172.9° | 179.7° |
| C5 | C10 | C2 | C1 | 142.6° | 137.8° |
| C5 | C10 | C2 | N1 | 100.3° | 105.4° |
| C10 | C5 | C4 | H2 | 114.6° | 102.1° |
| C10 | C5 | C4 | H3 | 123.7° | 135.7° |
| C10 | C5 | C6 | H4 | 176.9° | 179.8° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C3 | C2 | C10 | C9 | 165.3° | 163.4° |
| C3 | C2 | C10 | C1 | 121.3° | 121.5° |
| C3 | C2 | C10 | N1 | 121.5° | 121.7° |
| C3 | C2 | C1 | N1 | 118.8° | 120.2° |
| C3 | C2 | C1 | O1 | 63.6° | 60.0° |
| C3 | C2 | C1 | N | 115.7° | 120.5° |
| C3 | C2 | N1 | C | 112.2° | 120.2° |
| C3 | C2 | N1 | H1 | 67.8° | 59.5° |
| C2 | C3 | C4 | H2 | 101.6° | 93.6° |
| C2 | C3 | C4 | H3 | 136.8° | 144.3° |
| C2 | C3 | H8 | H9 | 121.5° | 123.6° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C2 | 172.8° | 179.6° |
| C9 | C8 | C7 | H5 | 179.9° | 179.9° |
| C9 | C10 | C2 | C1 | 44.0° | 41.9° |
| C9 | C10 | C2 | N1 | 73.2° | 74.9° |
| C10 | C9 | C8 | H6 | 178.9° | 180.0° |
| C10 | C2 | C1 | N1 | 122.8° | 121.1° |
| C10 | C2 | C1 | O1 | 54.8° | 58.7° |
| C10 | C2 | C1 | N | 125.9° | 120.9° |
| C10 | C2 | N1 | C | 132.7° | 121.0° |
| C10 | C2 | N1 | H1 | 47.3° | 59.3° |
| C10 | C2 | C3 | H8 | 142.7° | 143.5° |
| C10 | C2 | C3 | H9 | 96.3° | 92.8° |
| C2 | C10 | C9 | H10 | 7.2° | 0.4° |
| C2 | C1 | O1 | N | 179.2° | 179.5° |
| C1 | C2 | N1 | C | 3.2° | 0.0° |
| C2 | C1 | N | C | 2.2° | 0.4° |
| C1 | C2 | N1 | H1 | 176.8° | 179.7° |
| C2 | C1 | N | H7 | 177.8° | 179.9° |
| C1 | C2 | C3 | H8 | 87.6° | 94.7° |
| C1 | C2 | C3 | H9 | 33.4° | 28.9° |
| N1 | C2 | C1 | O1 | 177.6° | 179.8° |
| N1 | C2 | C1 | N | 3.1° | 0.3° |
| C2 | N1 | C | H1 | 180.0° | 179.7° |
| C2 | N1 | C | N | 2.1° | 0.2° |
| C2 | N1 | C | O | 178.2° | 179.8° |
| N1 | C2 | C3 | H8 | 22.4° | 21.5° |
| N1 | C2 | C3 | H9 | 143.5° | 145.1° |
| O1 | C1 | N | C | 178.6° | 180.0° |
| O1 | C1 | N | H7 | 1.4° | 0.5° |
| C1 | N | C | N1 | 0.1° | 0.4° |
| C1 | N | C | H7 | 180.0° | 179.5° |
| C1 | N | C | O | 179.5° | 179.6° |
| N1 | C | N | O | 179.7° | 180.0° |
| N1 | C | N | H7 | 179.9° | 179.9° |
| N | C | N1 | H1 | 177.9° | 179.9° |
| O | C | N1 | H1 | 1.8° | 0.1° |
| O | C | N | H7 | 0.5° | 0.1° |
| H2 | C4 | C3 | H8 | 17.9° | 24.6° |
| H2 | C4 | C3 | H9 | 138.9° | 148.2° |
| H3 | C4 | C3 | H8 | 103.8° | 97.5° |
| H3 | C4 | C3 | H9 | 17.3° | 26.1° |
| H4 | C6 | C7 | H5 | 2.0° | 0.1° |
| H5 | C7 | C8 | H6 | 0.1° | 0.0° |
| H6 | C8 | C9 | H10 | 1.1° | 0.0° |
