LT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.41Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| CL | C15 | sing | 1.74Å | 1.74Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C11 | sing | 1.51Å | 1.53Å | |
| C7 | C10 | sing | 1.54Å | 1.58Å | |
| C7 | C8 | sing | 1.54Å | 1.58Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.52Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.52Å | 1.52Å | |
| C9 | O1 | doub | 1.21Å | 1.21Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C4 | 117.5° | 121.8° |
| N | C3 | C2 | 123.6° | 120.9° |
| N | C3 | H15 | 118.2° | 119.6° |
| N | C4 | C5 | 123.1° | 120.6° |
| N | C4 | H2 | 118.4° | 119.7° |
| C3 | C2 | C1 | 119.6° | 119.3° |
| C3 | C2 | H8 | 120.2° | 120.4° |
| C2 | C3 | H15 | 118.2° | 119.5° |
| C4 | C5 | C1 | 119.0° | 119.1° |
| C4 | C5 | N1 | 121.6° | 120.5° |
| C5 | C4 | H2 | 118.4° | 119.7° |
| C2 | C1 | C5 | 117.2° | 118.3° |
| C2 | C1 | C | 120.7° | 120.8° |
| C1 | C2 | H8 | 120.2° | 120.3° |
| C1 | C5 | N1 | 119.3° | 120.5° |
| C5 | C1 | C | 122.0° | 120.8° |
| C5 | N1 | C6 | 121.5° | 120.0° |
| C5 | N1 | H1 | 119.3° | 120.0° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| N1 | C6 | O | 123.3° | 120.0° |
| N1 | C6 | C7 | 115.5° | 120.0° |
| C6 | N1 | H1 | 119.2° | 120.0° |
| O | C6 | C7 | 121.2° | 120.0° |
| CL | C15 | C16 | 118.8° | 120.0° |
| CL | C15 | C14 | 119.4° | 120.0° |
| C6 | C7 | C11 | 105.7° | 112.9° |
| C6 | C7 | C10 | 114.1° | 113.7° |
| C6 | C7 | C8 | 117.5° | 113.6° |
| C15 | C16 | C11 | 119.5° | 120.0° |
| C16 | C15 | C14 | 121.8° | 120.0° |
| C15 | C16 | H9 | 120.2° | 120.1° |
| C16 | C11 | C7 | 119.8° | 120.0° |
| C16 | C11 | C12 | 119.1° | 120.0° |
| C11 | C16 | H9 | 120.2° | 120.0° |
| C15 | C14 | C13 | 118.7° | 119.9° |
| C15 | C14 | H11 | 120.6° | 120.0° |
| C11 | C7 | C10 | 114.8° | 113.7° |
| C11 | C7 | C8 | 116.5° | 113.6° |
| C7 | C11 | C12 | 121.0° | 120.0° |
| C10 | C7 | C8 | 87.9° | 86.9° |
| C7 | C10 | C9 | 88.2° | 86.7° |
| C7 | C10 | H5 | 114.5° | 113.7° |
| C7 | C10 | H6 | 114.5° | 113.7° |
| C7 | C8 | C9 | 88.3° | 86.8° |
| C7 | C8 | H3 | 114.5° | 113.7° |
| C7 | C8 | H4 | 114.5° | 113.7° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C11 | C12 | H10 | 119.7° | 120.0° |
| C10 | C9 | C8 | 92.8° | 88.4° |
| C10 | C9 | O1 | 133.6° | 135.7° |
| C9 | C10 | H5 | 114.5° | 113.7° |
| C9 | C10 | H6 | 114.5° | 113.7° |
| C14 | C13 | C12 | 120.2° | 120.1° |
| C14 | C13 | H7 | 119.9° | 120.0° |
| C13 | C14 | H11 | 120.7° | 120.0° |
| C12 | C13 | H7 | 119.9° | 120.0° |
| C13 | C12 | H10 | 119.7° | 120.0° |
| C8 | C9 | O1 | 133.6° | 135.9° |
| C9 | C8 | H3 | 114.4° | 113.7° |
| C9 | C8 | H4 | 114.5° | 113.7° |
| H3 | C8 | H4 | 109.5° | 112.9° |
| H5 | C10 | H6 | 109.5° | 112.9° |
| H12 | C | H13 | 109.4° | 109.5° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C2 | H15 | 180.0° | 179.5° |
| C3 | N | C4 | C5 | 1.3° | 0.0° |
| N | C3 | C2 | C1 | 0.9° | 0.8° |
| C3 | N | C4 | H2 | 178.7° | 179.7° |
| N | C3 | C2 | H8 | 179.1° | 179.7° |
| C4 | N | C3 | C2 | 0.6° | 0.5° |
| N | C4 | C5 | H2 | 180.0° | 179.8° |
| N | C4 | C5 | C1 | 0.5° | 0.2° |
| N | C4 | C5 | N1 | 176.7° | 179.8° |
| C4 | N | C3 | H15 | 179.4° | 180.0° |
| C3 | C2 | C1 | H8 | 180.0° | 179.5° |
| C3 | C2 | C1 | C5 | 1.7° | 0.5° |
| C3 | C2 | C1 | C | 174.9° | 179.5° |
| C4 | C5 | C1 | C2 | 1.0° | 0.0° |
| C4 | C5 | C1 | N1 | 177.3° | 180.0° |
| C4 | C5 | C1 | C | 175.5° | 180.0° |
| C4 | C5 | N1 | C6 | 76.4° | 19.8° |
| C4 | C5 | N1 | H1 | 103.6° | 160.4° |
| C2 | C1 | C5 | C | 176.5° | 180.0° |
| C2 | C1 | C5 | N1 | 178.3° | 180.0° |
| C2 | C1 | C | H12 | 91.8° | 90.1° |
| C2 | C1 | C | H13 | 148.2° | 30.0° |
| C2 | C1 | C | H14 | 28.2° | 150.0° |
| C1 | C2 | C3 | H15 | 179.1° | 179.8° |
| C1 | C5 | N1 | C6 | 100.8° | 160.2° |
| C1 | C5 | N1 | H1 | 79.2° | 19.6° |
| C1 | C5 | C4 | H2 | 179.5° | 180.0° |
| C5 | C1 | C2 | H8 | 178.3° | 180.0° |
| C5 | C1 | C | H12 | 91.8° | 90.0° |
| C5 | C1 | C | H13 | 28.1° | 149.9° |
| C5 | C1 | C | H14 | 148.1° | 30.0° |
| N1 | C5 | C1 | C | 1.8° | 0.0° |
| C5 | N1 | C6 | H1 | 180.0° | 179.8° |
| C5 | N1 | C6 | O | 7.4° | 3.7° |
| C5 | N1 | C6 | C7 | 170.7° | 176.3° |
| N1 | C5 | C4 | H2 | 3.3° | 0.0° |
| C | C1 | C2 | H8 | 5.1° | 0.0° |
| C1 | C | H12 | H13 | 120.0° | 120.1° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| N1 | C6 | O | C7 | 178.0° | 179.9° |
| N1 | C6 | C7 | C11 | 154.5° | 51.5° |
| N1 | C6 | C7 | C10 | 27.3° | 177.1° |
| N1 | C6 | C7 | C8 | 73.5° | 79.8° |
| O | C6 | C7 | C11 | 27.3° | 128.5° |
| O | C6 | C7 | C10 | 154.5° | 2.9° |
| O | C6 | C7 | C8 | 104.7° | 100.2° |
| O | C6 | N1 | H1 | 172.6° | 176.6° |
| CL | C15 | C16 | C14 | 178.5° | 180.0° |
| CL | C15 | C16 | C11 | 177.9° | 179.8° |
| CL | C15 | C14 | C13 | 177.7° | 179.9° |
| CL | C15 | C16 | H9 | 2.1° | 0.0° |
| CL | C15 | C14 | H11 | 2.3° | 0.0° |
| C6 | C7 | C11 | C16 | 76.5° | 114.6° |
| C6 | C7 | C11 | C10 | 126.7° | 131.4° |
| C6 | C7 | C11 | C8 | 132.6° | 131.3° |
| C6 | C7 | C10 | C8 | 119.4° | 114.5° |
| C6 | C7 | C11 | C12 | 101.1° | 65.4° |
| C6 | C7 | C10 | C9 | 107.2° | 89.7° |
| C6 | C7 | C8 | C9 | 104.0° | 89.7° |
| C7 | C6 | N1 | H1 | 9.2° | 3.5° |
| C6 | C7 | C8 | H3 | 139.8° | 155.9° |
| C6 | C7 | C8 | H4 | 12.2° | 24.9° |
| C6 | C7 | C10 | H5 | 9.1° | 24.8° |
| C6 | C7 | C10 | H6 | 136.6° | 155.9° |
| C15 | C16 | C11 | H9 | 180.0° | 179.8° |
| C15 | C16 | C11 | C7 | 177.5° | 179.7° |
| C15 | C16 | C11 | C12 | 0.2° | 0.2° |
| C16 | C15 | C14 | C13 | 0.8° | 0.0° |
| C16 | C15 | C14 | H11 | 179.2° | 180.0° |
| C11 | C16 | C15 | C14 | 0.6° | 0.2° |
| C16 | C11 | C7 | C12 | 177.6° | 180.0° |
| C16 | C11 | C7 | C10 | 50.2° | 16.8° |
| C16 | C11 | C7 | C8 | 150.9° | 114.1° |
| C16 | C11 | C12 | C13 | 0.7° | 0.0° |
| C16 | C11 | C12 | H10 | 179.3° | 180.0° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.3° |
| C15 | C14 | C13 | H7 | 179.7° | 180.0° |
| C14 | C15 | C16 | H9 | 179.4° | 180.0° |
| C11 | C7 | C10 | C8 | 118.4° | 114.5° |
| C11 | C7 | C10 | C9 | 130.6° | 139.3° |
| C7 | C11 | C12 | C13 | 176.9° | 180.0° |
| C11 | C7 | C8 | C9 | 129.1° | 139.4° |
| C11 | C7 | C8 | H3 | 12.9° | 24.9° |
| C11 | C7 | C8 | H4 | 114.7° | 106.1° |
| C11 | C7 | C10 | H5 | 113.2° | 106.2° |
| C11 | C7 | C10 | H6 | 14.4° | 24.9° |
| C7 | C11 | C16 | H9 | 2.5° | 0.1° |
| C7 | C11 | C12 | H10 | 3.1° | 0.0° |
| C10 | C7 | C11 | C12 | 132.2° | 163.3° |
| C7 | C10 | C9 | H5 | 116.2° | 114.4° |
| C7 | C10 | C9 | H6 | 116.2° | 114.4° |
| C10 | C7 | C8 | C9 | 12.2° | 24.9° |
| C7 | C10 | C9 | O1 | 166.8° | 154.9° |
| C10 | C7 | C8 | H3 | 104.0° | 89.6° |
| C10 | C7 | C8 | H4 | 128.4° | 139.4° |
| C7 | C10 | H5 | H6 | 130.1° | 131.4° |
| C8 | C7 | C11 | C12 | 31.5° | 65.9° |
| C7 | C8 | C9 | H3 | 116.2° | 114.5° |
| C7 | C8 | C9 | H4 | 116.2° | 114.5° |
| C7 | C8 | C9 | O1 | 166.7° | 154.9° |
| C7 | C8 | H3 | H4 | 130.1° | 131.4° |
| C8 | C7 | C10 | H5 | 128.4° | 139.3° |
| C8 | C7 | C10 | H6 | 104.0° | 89.7° |
| C11 | C12 | C13 | C14 | 0.4° | 0.3° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H7 | 179.5° | 180.0° |
| C12 | C11 | C16 | H9 | 179.8° | 180.0° |
| C10 | C9 | C8 | O1 | 179.5° | 179.9° |
| C10 | C9 | C8 | H3 | 103.4° | 89.3° |
| C10 | C9 | C8 | H4 | 129.0° | 139.7° |
| C9 | C10 | H5 | H6 | 130.1° | 131.5° |
| C14 | C13 | C12 | H7 | 180.0° | 179.7° |
| C14 | C13 | C12 | H10 | 179.5° | 179.7° |
| C12 | C13 | C14 | H11 | 179.7° | 179.8° |
| C9 | C8 | H3 | H4 | 130.1° | 131.4° |
| C8 | C9 | C10 | H5 | 129.0° | 139.6° |
| C8 | C9 | C10 | H6 | 103.4° | 89.3° |
| O1 | C9 | C8 | H3 | 77.0° | 90.6° |
| O1 | C9 | C8 | H4 | 50.5° | 40.4° |
| O1 | C9 | C10 | H5 | 50.6° | 40.5° |
| O1 | C9 | C10 | H6 | 77.0° | 90.7° |
| H7 | C13 | C12 | H10 | 0.5° | 0.0° |
| H7 | C13 | C14 | H11 | 0.3° | 0.0° |
| H8 | C2 | C3 | H15 | 0.9° | 0.2° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
