8LN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.51Å | 1.33Å | |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | N4 | sing | 1.41Å | 1.34Å | |
| C4 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| N2 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C9 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C8 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| N4 | C10 | sing | 1.39Å | 1.38Å | |
| C10 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | CL | sing | 1.74Å | 1.70Å | |
| C13 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N8 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N7 | sing | 1.33Å | 1.39Å | Aromatic |
| N7 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | N8 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| N8 | C17 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.34Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 1.01Å | 1.00Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C4 | C3 | 127.9° | 125.8° |
| C1 | C4 | N1 | 121.4° | 125.8° |
| C4 | C1 | H11C | 109.5° | 109.5° |
| C4 | C1 | H12C | 109.4° | 109.5° |
| C4 | C1 | H13C | 109.5° | 109.5° |
| C3 | C2 | N2 | 104.1° | 107.5° |
| C2 | C3 | C4 | 106.8° | 107.9° |
| C2 | C3 | N4 | 123.7° | 126.1° |
| C3 | C2 | H2 | 128.0° | 126.2° |
| C2 | N2 | N1 | 115.1° | 107.9° |
| C2 | N2 | C5 | 122.2° | 126.0° |
| N2 | C2 | H2 | 128.0° | 126.2° |
| C4 | C3 | N4 | 129.5° | 126.1° |
| C3 | C4 | N1 | 110.7° | 108.3° |
| C3 | N4 | C10 | 124.2° | 120.0° |
| C3 | N4 | H4 | 117.9° | 120.0° |
| C4 | N1 | N2 | 103.4° | 108.4° |
| N1 | N2 | C5 | 122.7° | 126.1° |
| N2 | C5 | C6 | 108.6° | 109.5° |
| N2 | C5 | C9 | 113.0° | 109.5° |
| N2 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | C9 | 108.8° | 109.2° |
| C5 | C6 | C7 | 110.9° | 109.2° |
| C6 | C5 | H5 | 108.4° | 109.6° |
| C5 | C6 | H61C | 109.1° | 109.5° |
| C5 | C6 | H62C | 109.1° | 109.5° |
| C5 | C9 | C8 | 107.5° | 109.2° |
| C9 | C5 | H5 | 108.6° | 109.6° |
| C5 | C9 | H91C | 109.9° | 109.5° |
| C5 | C9 | H92C | 110.0° | 109.5° |
| C6 | C7 | N3 | 106.7° | 109.5° |
| C7 | C6 | H61C | 109.1° | 109.5° |
| C7 | C6 | H62C | 109.1° | 109.5° |
| C6 | C7 | H71C | 110.1° | 109.4° |
| C6 | C7 | H72C | 110.2° | 109.5° |
| C7 | N3 | C8 | 113.1° | 111.2° |
| N3 | C7 | H71C | 110.2° | 109.4° |
| N3 | C7 | H72C | 110.2° | 109.5° |
| C7 | N3 | H3 | 108.6° | 110.9° |
| N3 | C8 | C9 | 105.3° | 109.6° |
| C8 | N3 | H3 | 108.6° | 111.1° |
| N3 | C8 | H81C | 110.5° | 109.4° |
| N3 | C8 | H82C | 110.5° | 109.4° |
| C8 | C9 | H91C | 110.0° | 109.5° |
| C8 | C9 | H92C | 110.0° | 109.6° |
| C9 | C8 | H81C | 110.5° | 109.5° |
| C9 | C8 | H82C | 110.5° | 109.4° |
| N4 | C10 | N5 | 115.5° | 119.1° |
| N4 | C10 | N6 | 117.6° | 119.2° |
| C10 | N4 | H4 | 117.9° | 120.0° |
| N5 | C10 | N6 | 126.9° | 121.8° |
| C10 | N5 | C11 | 115.8° | 121.0° |
| C10 | N6 | C13 | 115.8° | 120.6° |
| N5 | C11 | C12 | 121.5° | 119.4° |
| N5 | C11 | H11 | 119.2° | 120.3° |
| C11 | C12 | C13 | 118.4° | 118.4° |
| C11 | C12 | CL | 117.9° | 120.8° |
| C12 | C11 | H11 | 119.2° | 120.3° |
| C13 | C12 | CL | 123.8° | 120.8° |
| C12 | C13 | N6 | 121.7° | 118.9° |
| C12 | C13 | C14 | 124.1° | 120.5° |
| N6 | C13 | C14 | 114.2° | 120.5° |
| C13 | C14 | C15 | 129.1° | 126.7° |
| C13 | C14 | N8 | 123.8° | 126.7° |
| C15 | C14 | N8 | 106.9° | 106.6° |
| C14 | C15 | N7 | 109.1° | 108.3° |
| C14 | C15 | H15 | 125.4° | 125.8° |
| C14 | N8 | C16 | 107.1° | 107.0° |
| C14 | N8 | C17 | 130.8° | 132.4° |
| C15 | N7 | C16 | 107.1° | 109.7° |
| N7 | C15 | H15 | 125.4° | 125.9° |
| N7 | C16 | N8 | 109.7° | 108.5° |
| N7 | C16 | C20 | 131.3° | 131.9° |
| N8 | C16 | C20 | 119.0° | 119.5° |
| C16 | N8 | C17 | 122.0° | 120.6° |
| C16 | C20 | C19 | 119.0° | 119.4° |
| C16 | C20 | H20 | 120.5° | 120.3° |
| N8 | C17 | C18 | 118.6° | 120.6° |
| N8 | C17 | H17 | 120.7° | 119.7° |
| C17 | C18 | C19 | 122.0° | 120.2° |
| C18 | C17 | H17 | 120.7° | 119.7° |
| C17 | C18 | H18 | 119.0° | 119.9° |
| C18 | C19 | C20 | 119.4° | 119.6° |
| C19 | C18 | H18 | 119.0° | 119.9° |
| C18 | C19 | H19 | 120.3° | 120.2° |
| C19 | C20 | H20 | 120.5° | 120.3° |
| C20 | C19 | H19 | 120.3° | 120.1° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.6° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C4 | C3 | C2 | 179.5° | 180.0° |
| C1 | C4 | C3 | N1 | 179.5° | 180.0° |
| C1 | C4 | C3 | N4 | 0.7° | 0.0° |
| C1 | C4 | N1 | N2 | 179.9° | 180.0° |
| C4 | C1 | H11C | H12C | 120.0° | 120.0° |
| C4 | C1 | H11C | H13C | 120.0° | 120.0° |
| C4 | C1 | H12C | H13C | 120.0° | 120.1° |
| C3 | C2 | N2 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | N4 | 178.9° | 180.0° |
| C2 | C3 | C4 | N1 | 0.0° | 0.0° |
| C3 | C2 | N2 | N1 | 0.5° | 0.0° |
| C3 | C2 | N2 | C5 | 178.7° | 180.0° |
| C2 | C3 | N4 | C10 | 136.6° | 0.0° |
| C2 | C3 | N4 | H4 | 43.3° | 180.0° |
| N2 | C2 | C3 | C4 | 0.3° | 0.0° |
| N2 | C2 | C3 | N4 | 179.2° | 180.0° |
| C2 | N2 | N1 | C4 | 0.5° | 0.0° |
| C2 | N2 | N1 | C5 | 178.2° | 179.9° |
| C2 | N2 | C5 | C6 | 97.1° | 85.0° |
| C2 | N2 | C5 | C9 | 142.0° | 34.7° |
| C2 | N2 | C5 | H5 | 21.0° | 154.9° |
| C3 | C4 | N1 | N2 | 0.3° | 0.0° |
| C4 | C3 | N4 | C10 | 44.7° | 180.0° |
| C3 | C4 | C1 | H11C | 179.4° | 90.0° |
| C3 | C4 | C1 | H12C | 59.4° | 150.0° |
| C3 | C4 | C1 | H13C | 60.5° | 30.0° |
| C4 | C3 | C2 | H2 | 179.7° | 179.8° |
| C4 | C3 | N4 | H4 | 135.4° | 0.0° |
| N4 | C3 | C4 | N1 | 178.8° | 180.0° |
| C3 | N4 | C10 | H4 | 180.0° | 180.0° |
| C3 | N4 | C10 | N5 | 170.2° | 0.0° |
| C3 | N4 | C10 | N6 | 10.9° | 179.8° |
| N4 | C3 | C2 | H2 | 0.8° | 0.2° |
| C4 | N1 | N2 | C5 | 178.7° | 179.9° |
| N1 | C4 | C1 | H11C | 0.0° | 90.0° |
| N1 | C4 | C1 | H12C | 120.0° | 30.0° |
| N1 | C4 | C1 | H13C | 120.0° | 150.0° |
| N1 | N2 | C5 | C6 | 80.9° | 94.9° |
| N1 | N2 | C5 | C9 | 39.9° | 145.3° |
| N1 | N2 | C2 | H2 | 179.5° | 179.8° |
| N1 | N2 | C5 | H5 | 161.0° | 25.2° |
| N2 | C5 | C6 | C9 | 123.4° | 119.9° |
| N2 | C5 | C6 | H5 | 118.6° | 120.1° |
| N2 | C5 | C9 | H5 | 121.4° | 120.1° |
| N2 | C5 | C6 | C7 | 177.1° | 177.6° |
| N2 | C5 | C9 | C8 | 175.5° | 177.6° |
| C5 | N2 | C2 | H2 | 1.3° | 0.2° |
| N2 | C5 | C6 | H61C | 56.9° | 62.5° |
| N2 | C5 | C6 | H62C | 62.7° | 57.7° |
| N2 | C5 | C9 | H91C | 64.8° | 57.6° |
| N2 | C5 | C9 | H92C | 55.8° | 62.4° |
| C6 | C5 | C9 | H5 | 117.8° | 120.0° |
| C5 | C6 | C7 | H61C | 120.2° | 120.0° |
| C5 | C6 | C7 | H62C | 120.2° | 119.9° |
| C5 | C6 | C7 | N3 | 55.5° | 59.1° |
| C6 | C5 | C9 | C8 | 63.7° | 57.6° |
| C5 | C6 | H61C | H62C | 119.4° | 120.1° |
| C6 | C5 | C9 | H91C | 56.0° | 62.3° |
| C6 | C5 | C9 | H92C | 176.6° | 177.6° |
| C5 | C6 | C7 | H71C | 64.1° | 60.8° |
| C5 | C6 | C7 | H72C | 175.1° | 179.2° |
| C9 | C5 | C6 | C7 | 59.4° | 57.6° |
| C5 | C9 | C8 | N3 | 65.0° | 59.2° |
| C5 | C9 | C8 | H91C | 119.7° | 119.9° |
| C5 | C9 | C8 | H92C | 119.7° | 120.0° |
| C9 | C5 | C6 | H61C | 179.6° | 177.6° |
| C9 | C5 | C6 | H62C | 60.8° | 62.2° |
| C5 | C9 | H91C | H92C | 120.9° | 120.1° |
| C5 | C9 | C8 | H81C | 54.3° | 60.9° |
| C5 | C9 | C8 | H82C | 175.7° | 179.2° |
| C6 | C7 | N3 | H71C | 119.5° | 120.0° |
| C6 | C7 | N3 | H72C | 119.6° | 120.1° |
| C6 | C7 | N3 | C8 | 60.5° | 61.7° |
| C7 | C6 | C5 | H5 | 58.5° | 62.4° |
| C7 | C6 | H61C | H62C | 119.4° | 120.1° |
| C6 | C7 | H71C | H72C | 121.3° | 120.0° |
| C6 | C7 | N3 | H3 | 178.9° | 174.2° |
| C7 | N3 | C8 | H3 | 120.5° | 124.1° |
| C7 | N3 | C8 | C9 | 65.9° | 61.7° |
| N3 | C7 | C6 | H61C | 175.7° | 179.1° |
| N3 | C7 | C6 | H62C | 64.7° | 60.8° |
| N3 | C7 | H71C | H72C | 121.3° | 120.0° |
| C7 | N3 | C8 | H81C | 53.4° | 58.3° |
| C7 | N3 | C8 | H82C | 174.7° | 178.2° |
| N3 | C8 | C9 | H81C | 119.3° | 120.1° |
| N3 | C8 | C9 | H82C | 119.4° | 120.0° |
| N3 | C8 | C9 | H91C | 54.7° | 60.7° |
| N3 | C8 | C9 | H92C | 175.3° | 179.1° |
| C8 | N3 | C7 | H71C | 59.0° | 58.3° |
| C8 | N3 | C7 | H72C | 179.9° | 178.2° |
| N3 | C8 | H81C | H82C | 121.9° | 119.9° |
| C8 | C9 | C5 | H5 | 54.1° | 62.4° |
| C8 | C9 | H91C | H92C | 121.0° | 120.2° |
| C9 | C8 | N3 | H3 | 173.5° | 174.2° |
| C9 | C8 | H81C | H82C | 121.9° | 120.0° |
| N4 | C10 | N5 | N6 | 178.7° | 179.7° |
| N4 | C10 | N5 | C11 | 179.5° | 180.0° |
| N4 | C10 | N6 | C13 | 179.6° | 179.8° |
| C10 | N5 | C11 | C12 | 0.1° | 0.0° |
| N5 | C10 | N6 | C13 | 1.7° | 0.5° |
| N5 | C10 | N4 | H4 | 9.8° | 180.0° |
| C10 | N5 | C11 | H11 | 179.9° | 180.0° |
| N6 | C10 | N5 | C11 | 1.7° | 0.3° |
| C10 | N6 | C13 | C12 | 0.1° | 0.4° |
| C10 | N6 | C13 | C14 | 177.1° | 179.7° |
| N6 | C10 | N4 | H4 | 169.1° | 0.3° |
| N5 | C11 | C12 | H11 | 180.0° | 179.9° |
| N5 | C11 | C12 | C13 | 1.4° | 0.0° |
| N5 | C11 | C12 | CL | 179.1° | 180.0° |
| C11 | C12 | C13 | CL | 179.5° | 180.0° |
| C11 | C12 | C13 | N6 | 1.5° | 0.2° |
| C11 | C12 | C13 | C14 | 178.3° | 180.0° |
| C12 | C13 | N6 | C14 | 177.1° | 179.8° |
| C12 | C13 | C14 | C15 | 12.0° | 136.5° |
| C12 | C13 | C14 | N8 | 172.4° | 43.8° |
| C13 | C12 | C11 | H11 | 178.6° | 180.0° |
| CL | C12 | C13 | N6 | 179.0° | 179.8° |
| CL | C12 | C13 | C14 | 2.3° | 0.0° |
| CL | C12 | C11 | H11 | 0.9° | 0.1° |
| N6 | C13 | C14 | C15 | 165.0° | 43.3° |
| N6 | C13 | C14 | N8 | 10.6° | 136.4° |
| C13 | C14 | C15 | N8 | 176.2° | 179.7° |
| C13 | C14 | C15 | N7 | 176.3° | 179.9° |
| C13 | C14 | N8 | C16 | 176.0° | 179.9° |
| C13 | C14 | N8 | C17 | 3.5° | 0.0° |
| C13 | C14 | C15 | H15 | 3.7° | 0.1° |
| C14 | C15 | N7 | H15 | 180.0° | 180.0° |
| C14 | C15 | N7 | C16 | 0.7° | 0.0° |
| C15 | C14 | N8 | C16 | 0.5° | 0.3° |
| C15 | C14 | N8 | C17 | 179.9° | 179.7° |
| N8 | C14 | C15 | N7 | 0.1° | 0.2° |
| C14 | N8 | C16 | N7 | 1.0° | 0.4° |
| C14 | N8 | C16 | C17 | 179.5° | 180.0° |
| C14 | N8 | C16 | C20 | 179.2° | 179.9° |
| C14 | N8 | C17 | C18 | 179.1° | 180.0° |
| N8 | C14 | C15 | H15 | 179.9° | 179.8° |
| C14 | N8 | C17 | H17 | 0.9° | 0.1° |
| C15 | N7 | C16 | N8 | 1.0° | 0.3° |
| C15 | N7 | C16 | C20 | 179.1° | 179.9° |
| N7 | C16 | N8 | C20 | 179.9° | 179.7° |
| N7 | C16 | N8 | C17 | 179.6° | 179.7° |
| N7 | C16 | C20 | C19 | 179.7° | 179.3° |
| C16 | N7 | C15 | H15 | 179.3° | 180.0° |
| N7 | C16 | C20 | H20 | 0.3° | 0.2° |
| C16 | N8 | C17 | C18 | 0.2° | 0.1° |
| N8 | C16 | C20 | C19 | 0.2° | 0.4° |
| N8 | C16 | C20 | H20 | 179.8° | 179.9° |
| C16 | N8 | C17 | H17 | 179.8° | 179.8° |
| C20 | C16 | N8 | C17 | 0.3° | 0.1° |
| C16 | C20 | C19 | C18 | 0.0° | 0.5° |
| C16 | C20 | C19 | H20 | 180.0° | 179.5° |
| C16 | C20 | C19 | H19 | 180.0° | 179.8° |
| N8 | C17 | C18 | H17 | 180.0° | 179.9° |
| N8 | C17 | C18 | C19 | 0.0° | 0.1° |
| N8 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.4° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.6° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 179.7° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H5 | C5 | C6 | H61C | 61.7° | 57.6° |
| H5 | C5 | C6 | H62C | 178.7° | 177.8° |
| H5 | C5 | C9 | H91C | 173.8° | 177.7° |
| H5 | C5 | C9 | H92C | 65.6° | 57.6° |
| H61C | C6 | C7 | H71C | 56.1° | 59.1° |
| H61C | C6 | C7 | H72C | 64.7° | 60.8° |
| H62C | C6 | C7 | H71C | 175.7° | 179.3° |
| H62C | C6 | C7 | H72C | 54.9° | 59.3° |
| H91C | C9 | C8 | H81C | 174.0° | 179.2° |
| H91C | C9 | C8 | H82C | 64.7° | 59.3° |
| H92C | C9 | C8 | H81C | 65.3° | 59.1° |
| H92C | C9 | C8 | H82C | 56.0° | 60.9° |
| H71C | C7 | N3 | H3 | 61.5° | 65.9° |
| H72C | C7 | N3 | H3 | 59.4° | 54.1° |
| H3 | N3 | C8 | H81C | 67.2° | 65.7° |
| H3 | N3 | C8 | H82C | 54.2° | 54.2° |
| H20 | C20 | C19 | H19 | 0.0° | 0.4° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
