LT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| N1 | O | sing | 1.21Å | 1.33Å | Aromatic |
| N1 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| O | C8 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | N | sing | 1.35Å | 1.43Å | Aromatic |
| C8 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | N2 | sing | 1.47Å | 1.53Å | |
| N2 | C10 | sing | 1.47Å | 1.58Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.5° | 119.9° |
| C | C1 | C6 | 120.0° | 119.9° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.4° |
| C1 | C2 | C3 | 121.1° | 120.1° |
| C2 | C1 | C6 | 119.5° | 120.2° |
| C1 | C2 | H13 | 119.5° | 119.9° |
| C2 | C3 | C4 | 119.3° | 119.9° |
| C3 | C2 | H13 | 119.4° | 119.9° |
| C2 | C3 | H14 | 120.3° | 120.1° |
| C1 | C6 | C5 | 120.7° | 120.2° |
| C1 | C6 | H2 | 119.7° | 119.9° |
| C3 | C4 | C7 | 120.2° | 120.1° |
| C3 | C4 | C5 | 119.8° | 119.8° |
| C4 | C3 | H14 | 120.3° | 120.1° |
| O | N1 | C7 | 107.9° | 110.1° |
| N1 | O | C8 | 107.5° | 110.1° |
| N1 | C7 | C4 | 125.3° | 126.4° |
| N1 | C7 | N | 109.9° | 107.2° |
| C6 | C5 | C4 | 119.5° | 119.8° |
| C6 | C5 | H1 | 120.2° | 120.1° |
| C5 | C6 | H2 | 119.7° | 119.9° |
| C7 | C4 | C5 | 119.8° | 120.1° |
| C4 | C7 | N | 124.4° | 126.4° |
| C4 | C5 | H1 | 120.3° | 120.1° |
| O | C8 | N | 111.6° | 107.1° |
| O | C8 | C9 | 120.7° | 126.4° |
| C7 | N | C8 | 103.0° | 105.6° |
| N | C8 | C9 | 127.6° | 126.5° |
| C8 | C9 | N2 | 112.2° | 109.5° |
| C8 | C9 | H15 | 108.8° | 109.4° |
| C8 | C9 | H16 | 108.8° | 109.5° |
| C9 | N2 | C10 | 111.2° | 111.0° |
| N2 | C9 | H15 | 108.8° | 109.5° |
| N2 | C9 | H16 | 108.8° | 109.5° |
| C9 | N2 | H17 | 109.1° | 111.0° |
| N2 | C10 | C11 | 109.2° | 109.5° |
| N2 | C10 | C12 | 109.4° | 109.5° |
| N2 | C10 | H3 | 108.9° | 109.5° |
| C10 | N2 | H17 | 109.0° | 110.9° |
| C11 | C10 | C12 | 110.5° | 109.4° |
| C11 | C10 | H3 | 109.3° | 109.4° |
| C10 | C11 | H7 | 109.5° | 109.4° |
| C10 | C11 | H8 | 109.5° | 109.4° |
| C10 | C11 | H9 | 109.4° | 109.5° |
| C12 | C10 | H3 | 109.5° | 109.4° |
| C10 | C12 | H10 | 109.5° | 109.4° |
| C10 | C12 | H11 | 109.5° | 109.5° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.4° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.4° | 109.4° |
| H10 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 177.8° | 180.0° |
| C | C1 | C2 | C3 | 176.5° | 179.7° |
| C | C1 | C6 | C5 | 177.1° | 179.9° |
| C | C1 | C6 | H2 | 2.9° | 0.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 119.9° |
| C | C1 | C2 | H13 | 3.4° | 0.0° |
| C1 | C2 | C3 | H13 | 180.0° | 179.6° |
| C1 | C2 | C3 | C4 | 1.3° | 0.6° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C2 | C1 | C6 | H2 | 179.3° | 180.0° |
| C2 | C1 | C | H4 | 91.1° | 90.0° |
| C2 | C1 | C | H5 | 148.9° | 30.0° |
| C2 | C1 | C | H6 | 28.9° | 150.0° |
| C1 | C2 | C3 | H14 | 178.7° | 179.9° |
| C3 | C2 | C1 | C6 | 1.3° | 0.3° |
| C2 | C3 | C4 | H14 | 180.0° | 179.3° |
| C2 | C3 | C4 | C7 | 174.7° | 179.7° |
| C2 | C3 | C4 | C5 | 0.8° | 0.6° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H1 | 179.8° | 180.0° |
| C6 | C1 | C | H4 | 91.1° | 90.0° |
| C6 | C1 | C | H5 | 28.9° | 150.0° |
| C6 | C1 | C | H6 | 148.9° | 30.0° |
| C6 | C1 | C2 | H13 | 178.8° | 180.0° |
| C3 | C4 | C7 | N1 | 7.6° | 179.7° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C7 | C5 | 175.5° | 179.7° |
| C3 | C4 | C7 | N | 179.9° | 0.3° |
| C3 | C4 | C5 | H1 | 179.7° | 179.7° |
| C4 | C3 | C2 | H13 | 178.7° | 179.7° |
| O | N1 | C7 | C4 | 172.0° | 179.9° |
| O | N1 | C7 | N | 1.4° | 0.0° |
| N1 | O | C8 | N | 0.9° | 0.0° |
| N1 | O | C8 | C9 | 174.9° | 180.0° |
| N1 | C7 | C4 | N | 172.5° | 179.9° |
| N1 | C7 | C4 | C5 | 167.9° | 0.1° |
| C7 | N1 | O | C8 | 0.4° | 0.0° |
| N1 | C7 | N | C8 | 1.9° | 0.0° |
| C6 | C5 | C4 | C7 | 175.2° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C4 | C7 | N | C8 | 171.6° | 180.0° |
| C7 | C4 | C5 | H1 | 4.7° | 0.0° |
| C7 | C4 | C3 | H14 | 5.3° | 0.4° |
| C5 | C4 | C7 | N | 4.5° | 180.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | H14 | 179.2° | 179.9° |
| O | C8 | N | C7 | 1.6° | 0.0° |
| O | C8 | N | C9 | 175.4° | 180.0° |
| O | C8 | C9 | N2 | 44.6° | 90.0° |
| O | C8 | C9 | H15 | 165.0° | 30.0° |
| O | C8 | C9 | H16 | 75.9° | 149.9° |
| C7 | N | C8 | C9 | 173.8° | 180.0° |
| N | C8 | C9 | N2 | 140.4° | 90.0° |
| N | C8 | C9 | H15 | 20.0° | 150.0° |
| N | C8 | C9 | H16 | 99.2° | 30.1° |
| C8 | C9 | N2 | H15 | 120.4° | 120.0° |
| C8 | C9 | N2 | H16 | 120.4° | 120.0° |
| C8 | C9 | N2 | C10 | 153.5° | 180.0° |
| C8 | C9 | H15 | H16 | 118.7° | 120.0° |
| C8 | C9 | N2 | H17 | 86.3° | 56.1° |
| C9 | N2 | C10 | H17 | 120.3° | 123.9° |
| C9 | N2 | C10 | C11 | 62.2° | 155.0° |
| C9 | N2 | C10 | C12 | 176.7° | 85.0° |
| C9 | N2 | C10 | H3 | 57.0° | 34.9° |
| N2 | C9 | H15 | H16 | 118.7° | 120.1° |
| N2 | C10 | C11 | C12 | 120.4° | 120.0° |
| N2 | C10 | C11 | H3 | 119.0° | 120.1° |
| N2 | C10 | C12 | H3 | 119.3° | 120.0° |
| N2 | C10 | C11 | H7 | 180.0° | 180.0° |
| N2 | C10 | C11 | H8 | 60.0° | 60.0° |
| N2 | C10 | C11 | H9 | 60.0° | 60.0° |
| N2 | C10 | C12 | H10 | 180.0° | 60.0° |
| N2 | C10 | C12 | H11 | 60.0° | 60.0° |
| N2 | C10 | C12 | H12 | 60.0° | 180.0° |
| C10 | N2 | C9 | H15 | 33.1° | 60.1° |
| C10 | N2 | C9 | H16 | 86.1° | 59.9° |
| C11 | C10 | C12 | H3 | 120.4° | 119.9° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H9 | 120.0° | 120.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C10 | C12 | H10 | 59.7° | 60.1° |
| C11 | C10 | C12 | H11 | 60.3° | 180.0° |
| C11 | C10 | C12 | H12 | 179.7° | 59.9° |
| C11 | C10 | N2 | H17 | 58.1° | 31.1° |
| C12 | C10 | C11 | H7 | 59.6° | 59.9° |
| C12 | C10 | C11 | H8 | 179.6° | 180.0° |
| C12 | C10 | C11 | H9 | 60.4° | 60.0° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| C10 | C12 | H10 | H12 | 120.0° | 120.0° |
| C10 | C12 | H11 | H12 | 120.0° | 120.1° |
| C12 | C10 | N2 | H17 | 63.0° | 151.1° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H3 | C10 | C11 | H7 | 61.0° | 60.0° |
| H3 | C10 | C11 | H8 | 59.1° | 60.1° |
| H3 | C10 | C11 | H9 | 179.0° | 179.9° |
| H3 | C10 | C12 | H10 | 60.7° | 180.0° |
| H3 | C10 | C12 | H11 | 179.3° | 60.1° |
| H3 | C10 | C12 | H12 | 59.3° | 60.0° |
| H3 | C10 | N2 | H17 | 177.3° | 89.0° |
| H4 | C | H5 | H6 | 120.0° | 120.1° |
| H7 | C11 | H8 | H9 | 120.0° | 120.1° |
| H10 | C12 | H11 | H12 | 120.0° | 120.0° |
| H13 | C2 | C3 | H14 | 1.3° | 0.4° |
| H15 | C9 | N2 | H17 | 153.3° | 176.1° |
| H16 | C9 | N2 | H17 | 34.2° | 63.9° |
