L6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.42Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| N | C4 | sing | 1.35Å | 1.35Å | |
| CL | C15 | sing | 1.74Å | 1.74Å | |
| O | C4 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.49Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | 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 | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| N | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C6 | 117.3° | 121.8° |
| N1 | C7 | C8 | 123.5° | 120.9° |
| N1 | C7 | H2 | 118.3° | 119.5° |
| N1 | C6 | C5 | 123.4° | 120.7° |
| N1 | C6 | H1 | 118.3° | 119.7° |
| C7 | C8 | C9 | 119.6° | 119.2° |
| C8 | C7 | H2 | 118.2° | 119.5° |
| C7 | C8 | H3 | 120.2° | 120.4° |
| C6 | C5 | C9 | 118.7° | 119.0° |
| C6 | C5 | N | 121.3° | 120.5° |
| C5 | C6 | H1 | 118.3° | 119.6° |
| C8 | C9 | C5 | 117.3° | 118.4° |
| C8 | C9 | C10 | 120.5° | 120.8° |
| C9 | C8 | H3 | 120.2° | 120.4° |
| C9 | C5 | N | 120.0° | 120.5° |
| C5 | C9 | C10 | 122.1° | 120.8° |
| C5 | N | C4 | 124.0° | 120.0° |
| C5 | N | H19 | 118.0° | 120.0° |
| C9 | C10 | H4 | 109.5° | 109.4° |
| C9 | C10 | H5 | 109.4° | 109.5° |
| C9 | C10 | H6 | 109.5° | 109.4° |
| N | C4 | O | 123.2° | 120.0° |
| N | C4 | C3 | 114.8° | 120.0° |
| C4 | N | H19 | 118.0° | 120.0° |
| CL | C15 | C16 | 119.0° | 120.0° |
| CL | C15 | C14 | 119.2° | 120.0° |
| O | C4 | C3 | 122.0° | 120.0° |
| C4 | C3 | C11 | 108.9° | 109.4° |
| C4 | C3 | C2 | 109.6° | 109.5° |
| C4 | C3 | H11 | 109.0° | 109.5° |
| C16 | C15 | C14 | 121.8° | 120.0° |
| C15 | C16 | C11 | 119.6° | 120.0° |
| C15 | C16 | H10 | 120.2° | 120.0° |
| C15 | C14 | C13 | 118.6° | 120.0° |
| C15 | C14 | H8 | 120.7° | 120.1° |
| C16 | C11 | C3 | 119.7° | 120.0° |
| C16 | C11 | C12 | 118.9° | 120.0° |
| C11 | C16 | H10 | 120.2° | 120.0° |
| C11 | C3 | C2 | 111.3° | 109.5° |
| C3 | C11 | C12 | 121.2° | 120.0° |
| C11 | C3 | H11 | 109.1° | 109.5° |
| C3 | C2 | C1 | 114.0° | 109.5° |
| C2 | C3 | H11 | 108.9° | 109.5° |
| C3 | C2 | H12 | 108.3° | 109.5° |
| C3 | C2 | H13 | 108.4° | 109.5° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C14 | C13 | H7 | 119.8° | 120.0° |
| C13 | C14 | H8 | 120.7° | 120.0° |
| C11 | C12 | C13 | 120.7° | 120.1° |
| C11 | C12 | H9 | 119.7° | 120.0° |
| C12 | C13 | H7 | 119.8° | 120.0° |
| C13 | C12 | H9 | 119.6° | 119.9° |
| C2 | C1 | C | 111.8° | 109.5° |
| C1 | C2 | H12 | 108.3° | 109.5° |
| C1 | C2 | H13 | 108.3° | 109.5° |
| C2 | C1 | H14 | 108.9° | 109.5° |
| C2 | C1 | H15 | 108.9° | 109.5° |
| C | C1 | H14 | 108.9° | 109.5° |
| C | C1 | H15 | 108.9° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C7 | C8 | H2 | 180.0° | 179.9° |
| C7 | N1 | C6 | C5 | 0.1° | 0.1° |
| N1 | C7 | C8 | C9 | 0.9° | 0.0° |
| C7 | N1 | C6 | H1 | 179.9° | 180.0° |
| N1 | C7 | C8 | H3 | 179.1° | 180.0° |
| C6 | N1 | C7 | C8 | 0.2° | 0.1° |
| N1 | C6 | C5 | H1 | 180.0° | 180.0° |
| N1 | C6 | C5 | C9 | 0.3° | 0.0° |
| N1 | C6 | C5 | N | 177.5° | 180.0° |
| C6 | N1 | C7 | H2 | 179.8° | 180.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C5 | 1.3° | 0.0° |
| C7 | C8 | C9 | C10 | 174.9° | 180.0° |
| C6 | C5 | C9 | C8 | 1.0° | 0.0° |
| C6 | C5 | C9 | N | 177.2° | 179.9° |
| C6 | C5 | C9 | C10 | 175.1° | 180.0° |
| C6 | C5 | N | C4 | 80.8° | 17.5° |
| C6 | C5 | N | H19 | 99.2° | 162.5° |
| C8 | C9 | C5 | C10 | 176.2° | 179.9° |
| C8 | C9 | C5 | N | 178.3° | 180.0° |
| C9 | C8 | C7 | H2 | 179.1° | 180.0° |
| C8 | C9 | C10 | H4 | 91.9° | 90.0° |
| C8 | C9 | C10 | H5 | 148.1° | 29.9° |
| C8 | C9 | C10 | H6 | 28.1° | 149.9° |
| C9 | C5 | N | C4 | 96.3° | 162.4° |
| C9 | C5 | C6 | H1 | 179.6° | 180.0° |
| C5 | C9 | C8 | H3 | 178.7° | 180.0° |
| C5 | C9 | C10 | H4 | 92.0° | 90.0° |
| C5 | C9 | C10 | H5 | 28.0° | 150.0° |
| C5 | C9 | C10 | H6 | 147.9° | 30.0° |
| C9 | C5 | N | H19 | 83.7° | 17.6° |
| N | C5 | C9 | C10 | 2.1° | 0.1° |
| C5 | N | C4 | H19 | 180.0° | 180.0° |
| C5 | N | C4 | O | 0.7° | 6.1° |
| C5 | N | C4 | C3 | 176.5° | 173.9° |
| N | C5 | C6 | H1 | 2.5° | 0.1° |
| C10 | C9 | C8 | H3 | 5.1° | 0.1° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H6 | 120.0° | 120.0° |
| C9 | C10 | H5 | H6 | 120.0° | 120.0° |
| N | C4 | O | C3 | 176.9° | 179.9° |
| N | C4 | C3 | C11 | 155.9° | 142.9° |
| N | C4 | C3 | C2 | 82.1° | 97.2° |
| N | C4 | C3 | H11 | 37.0° | 22.8° |
| CL | C15 | C16 | C14 | 179.3° | 179.2° |
| CL | C15 | C16 | C11 | 178.8° | 180.0° |
| CL | C15 | C14 | C13 | 179.5° | 179.7° |
| CL | C15 | C14 | H8 | 0.4° | 0.2° |
| CL | C15 | C16 | H10 | 1.3° | 0.8° |
| O | C4 | C3 | C11 | 26.9° | 37.2° |
| O | C4 | C3 | C2 | 95.1° | 82.7° |
| O | C4 | C3 | H11 | 145.8° | 157.2° |
| O | C4 | N | H19 | 179.3° | 173.9° |
| C4 | C3 | C11 | C16 | 94.2° | 120.0° |
| C4 | C3 | C11 | C2 | 120.9° | 119.9° |
| C4 | C3 | C11 | H11 | 118.9° | 120.0° |
| C4 | C3 | C2 | H11 | 119.2° | 120.0° |
| C4 | C3 | C11 | C12 | 80.0° | 59.5° |
| C4 | C3 | C2 | C1 | 164.9° | 173.0° |
| C4 | C3 | C2 | H12 | 74.4° | 67.0° |
| C4 | C3 | C2 | H13 | 44.3° | 53.0° |
| C3 | C4 | N | H19 | 3.5° | 6.1° |
| C15 | C16 | C11 | H10 | 180.0° | 179.2° |
| C15 | C16 | C11 | C3 | 172.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.2° | 0.5° |
| C15 | C16 | C11 | C12 | 2.3° | 0.5° |
| C16 | C15 | C14 | H8 | 178.8° | 179.4° |
| C14 | C15 | C16 | C11 | 0.5° | 0.8° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 1.0° | 0.0° |
| C15 | C14 | C13 | H7 | 178.9° | 179.7° |
| C14 | C15 | C16 | H10 | 179.5° | 180.0° |
| C16 | C11 | C3 | C12 | 174.2° | 179.5° |
| C16 | C11 | C3 | C2 | 144.9° | 120.0° |
| C16 | C11 | C12 | C13 | 2.5° | 0.1° |
| C16 | C11 | C12 | H9 | 177.5° | 180.0° |
| C16 | C11 | C3 | H11 | 24.7° | 0.0° |
| C11 | C3 | C2 | H11 | 120.3° | 120.1° |
| C3 | C11 | C12 | C13 | 171.7° | 179.5° |
| C11 | C3 | C2 | C1 | 74.6° | 67.1° |
| C3 | C11 | C12 | H9 | 8.3° | 0.5° |
| C3 | C11 | C16 | H10 | 8.1° | 0.8° |
| C11 | C3 | C2 | H12 | 46.1° | 52.9° |
| C11 | C3 | C2 | H13 | 164.8° | 172.9° |
| C2 | C3 | C11 | C12 | 41.0° | 60.4° |
| C3 | C2 | C1 | H12 | 120.7° | 120.1° |
| C3 | C2 | C1 | H13 | 120.7° | 120.0° |
| C3 | C2 | C1 | C | 159.0° | 174.7° |
| C3 | C2 | H12 | H13 | 118.0° | 120.0° |
| C3 | C2 | C1 | H14 | 80.7° | 54.7° |
| C3 | C2 | C1 | H15 | 38.6° | 65.3° |
| C14 | C13 | C12 | C11 | 0.8° | 0.3° |
| C14 | C13 | C12 | H7 | 180.0° | 179.7° |
| C14 | C13 | C12 | H9 | 179.2° | 179.7° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | H7 | 179.2° | 180.0° |
| C12 | C11 | C16 | H10 | 177.6° | 179.7° |
| C12 | C11 | C3 | H11 | 161.2° | 179.5° |
| C12 | C13 | C14 | H8 | 179.0° | 180.0° |
| C2 | C1 | C | H14 | 120.4° | 120.0° |
| C2 | C1 | C | H15 | 120.4° | 120.0° |
| C1 | C2 | C3 | H11 | 45.7° | 53.0° |
| C1 | C2 | H12 | H13 | 117.9° | 120.0° |
| C2 | C1 | H14 | H15 | 118.9° | 120.0° |
| C2 | C1 | C | H16 | 180.0° | 60.0° |
| C2 | C1 | C | H17 | 60.0° | 60.0° |
| C2 | C1 | C | H18 | 60.0° | 180.0° |
| C | C1 | C2 | H12 | 38.3° | 65.2° |
| C | C1 | C2 | H13 | 80.4° | 54.7° |
| C | C1 | H14 | H15 | 118.9° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| H2 | C7 | C8 | H3 | 0.9° | 0.1° |
| H4 | C10 | H5 | H6 | 120.0° | 120.1° |
| H7 | C13 | C14 | H8 | 1.0° | 0.4° |
| H7 | C13 | C12 | H9 | 0.8° | 0.1° |
| H11 | C3 | C2 | H12 | 166.4° | 173.0° |
| H11 | C3 | C2 | H13 | 74.9° | 67.0° |
| H12 | C2 | C1 | H14 | 158.6° | 174.8° |
| H12 | C2 | C1 | H15 | 82.1° | 54.8° |
| H13 | C2 | C1 | H14 | 40.0° | 65.3° |
| H13 | C2 | C1 | H15 | 159.3° | 174.8° |
| H14 | C1 | C | H16 | 59.6° | 180.0° |
| H14 | C1 | C | H17 | 179.7° | 60.0° |
| H14 | C1 | C | H18 | 60.4° | 60.0° |
| H15 | C1 | C | H16 | 59.7° | 60.0° |
| H15 | C1 | C | H17 | 60.4° | 180.0° |
| H15 | C1 | C | H18 | 179.7° | 60.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
