N8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| N21 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C16 | C14 | sing | 1.51Å | 1.50Å | |
| N5 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.54Å | 1.54Å | |
| C8 | N13 | sing | 1.47Å | 1.47Å | |
| C7 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.55Å | 1.47Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.33Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| N13 | C12 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.08Å | 1.08Å | |
| C22 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H39 | sing | 1.08Å | 1.08Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C20 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N21 | C20 | 118.3° | 122.0° |
| N21 | C22 | C23 | 122.3° | 120.9° |
| N21 | C22 | H38 | 118.9° | 119.5° |
| N21 | C20 | C19 | 122.9° | 120.9° |
| N21 | C20 | H37 | 118.5° | 119.5° |
| C22 | C23 | C18 | 119.8° | 119.0° |
| C23 | C22 | H38 | 118.9° | 119.6° |
| C22 | C23 | H39 | 120.1° | 120.5° |
| C20 | C19 | C18 | 119.4° | 119.0° |
| C20 | C19 | H36 | 120.3° | 120.5° |
| C19 | C20 | H37 | 118.5° | 119.6° |
| C23 | C18 | C19 | 117.3° | 118.3° |
| C23 | C18 | C6 | 123.1° | 120.9° |
| C18 | C23 | H39 | 120.1° | 120.5° |
| C19 | C18 | C6 | 119.6° | 120.9° |
| C18 | C19 | H36 | 120.3° | 120.5° |
| C18 | C6 | N5 | 119.6° | 126.0° |
| C18 | C6 | C7 | 131.2° | 126.0° |
| N5 | C6 | C7 | 109.2° | 108.0° |
| C6 | N5 | N3 | 106.5° | 108.1° |
| C6 | C7 | C8 | 124.6° | 126.1° |
| C6 | C7 | C2 | 105.0° | 107.8° |
| C17 | C16 | C14 | 113.0° | 109.5° |
| C17 | C16 | H33 | 108.6° | 109.4° |
| C17 | C16 | H40 | 108.6° | 109.5° |
| C16 | C17 | H35 | 109.5° | 109.5° |
| C16 | C17 | H1 | 109.5° | 109.4° |
| C16 | C17 | H34 | 109.5° | 109.4° |
| C16 | C14 | N13 | 115.6° | 120.0° |
| C16 | C14 | O15 | 122.6° | 120.0° |
| C14 | C16 | H33 | 108.6° | 109.5° |
| C14 | C16 | H40 | 108.6° | 109.5° |
| N5 | N3 | C2 | 111.3° | 108.2° |
| N5 | N3 | H4 | 124.4° | 125.9° |
| C7 | C8 | C10 | 112.0° | 109.9° |
| C7 | C8 | N13 | 113.6° | 109.9° |
| C8 | C7 | C2 | 130.5° | 126.1° |
| C7 | C8 | H9 | 110.2° | 109.9° |
| C10 | C8 | N13 | 100.6° | 107.3° |
| C8 | C10 | C11 | 102.6° | 102.9° |
| C10 | C8 | H9 | 109.5° | 109.9° |
| C8 | C10 | H28 | 111.1° | 110.7° |
| C8 | C10 | H27 | 111.2° | 110.7° |
| C8 | N13 | C14 | 126.9° | 125.6° |
| C8 | N13 | C12 | 111.3° | 108.7° |
| N13 | C8 | H9 | 110.6° | 110.0° |
| C7 | C2 | N3 | 108.1° | 108.0° |
| C7 | C2 | C1 | 131.3° | 126.0° |
| C10 | C11 | C12 | 103.9° | 101.6° |
| C11 | C10 | H28 | 111.2° | 110.8° |
| C11 | C10 | H27 | 111.2° | 110.8° |
| C10 | C11 | H30 | 110.8° | 111.0° |
| C10 | C11 | H29 | 110.8° | 111.0° |
| N3 | C2 | C1 | 120.6° | 126.0° |
| C2 | N3 | H4 | 124.3° | 126.0° |
| N13 | C14 | O15 | 121.8° | 120.0° |
| C14 | N13 | C12 | 121.1° | 125.7° |
| N13 | C12 | C11 | 103.3° | 104.9° |
| N13 | C12 | H32 | 111.0° | 110.3° |
| N13 | C12 | H31 | 111.0° | 110.5° |
| C2 | C1 | H25 | 109.5° | 109.4° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C12 | C11 | H30 | 110.8° | 111.0° |
| C12 | C11 | H29 | 110.9° | 111.0° |
| C11 | C12 | H32 | 111.0° | 110.4° |
| C11 | C12 | H31 | 111.0° | 110.4° |
| H25 | C1 | H26 | 109.4° | 109.5° |
| H25 | C1 | H24 | 109.5° | 109.5° |
| H26 | C1 | H24 | 109.5° | 109.5° |
| H28 | C10 | H27 | 109.5° | 110.7° |
| H30 | C11 | H29 | 109.5° | 110.9° |
| H32 | C12 | H31 | 109.4° | 110.3° |
| H33 | C16 | H40 | 109.5° | 109.5° |
| H35 | C17 | H1 | 109.5° | 109.5° |
| H35 | C17 | H34 | 109.4° | 109.5° |
| H1 | C17 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C22 | C23 | H38 | 180.0° | 179.4° |
| C22 | N21 | C20 | C19 | 0.0° | 0.6° |
| N21 | C22 | C23 | C18 | 0.0° | 0.6° |
| N21 | C22 | C23 | H39 | 180.0° | 180.0° |
| C22 | N21 | C20 | H37 | 180.0° | 179.4° |
| C20 | N21 | C22 | C23 | 0.0° | 0.9° |
| N21 | C20 | C19 | H37 | 180.0° | 180.0° |
| N21 | C20 | C19 | C18 | 0.0° | 0.0° |
| N21 | C20 | C19 | H36 | 180.0° | 179.7° |
| C20 | N21 | C22 | H38 | 180.0° | 179.7° |
| C22 | C23 | C18 | H39 | 180.0° | 179.4° |
| C22 | C23 | C18 | C19 | 0.0° | 0.0° |
| C22 | C23 | C18 | C6 | 179.9° | 179.9° |
| C20 | C19 | C18 | C23 | 0.0° | 0.3° |
| C20 | C19 | C18 | H36 | 180.0° | 179.7° |
| C20 | C19 | C18 | C6 | 179.9° | 179.7° |
| C23 | C18 | C19 | C6 | 179.9° | 179.9° |
| C23 | C18 | C6 | N5 | 147.6° | 137.1° |
| C23 | C18 | C6 | C7 | 32.3° | 42.9° |
| C23 | C18 | C19 | H36 | 180.0° | 180.0° |
| C18 | C23 | C22 | H38 | 180.0° | 180.0° |
| C19 | C18 | C6 | N5 | 32.5° | 42.9° |
| C19 | C18 | C6 | C7 | 147.6° | 137.1° |
| C19 | C18 | C23 | H39 | 180.0° | 179.4° |
| C18 | C19 | C20 | H37 | 179.9° | 180.0° |
| C18 | C6 | N5 | C7 | 179.9° | 180.0° |
| C18 | C6 | N5 | N3 | 179.9° | 180.0° |
| C18 | C6 | C7 | C8 | 0.4° | 0.1° |
| C18 | C6 | C7 | C2 | 180.0° | 179.9° |
| C6 | C18 | C19 | H36 | 0.1° | 0.1° |
| C6 | C18 | C23 | H39 | 0.1° | 0.6° |
| N5 | C6 | C7 | C8 | 179.7° | 179.9° |
| N5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C6 | N5 | N3 | C2 | 0.2° | 0.1° |
| C6 | N5 | N3 | H4 | 179.8° | 179.9° |
| C7 | C6 | N5 | N3 | 0.2° | 0.0° |
| C6 | C7 | C8 | C2 | 179.5° | 179.9° |
| C6 | C7 | C8 | C10 | 62.0° | 106.7° |
| C6 | C7 | C8 | N13 | 175.1° | 135.5° |
| C6 | C7 | C2 | N3 | 0.0° | 0.2° |
| C6 | C7 | C2 | C1 | 179.9° | 180.0° |
| C6 | C7 | C8 | H9 | 60.2° | 14.3° |
| C17 | C16 | C14 | H33 | 120.5° | 119.9° |
| C17 | C16 | C14 | H40 | 120.5° | 120.0° |
| C17 | C16 | C14 | N13 | 179.4° | 180.0° |
| C17 | C16 | C14 | O15 | 0.3° | 0.0° |
| C17 | C16 | H33 | H40 | 118.4° | 120.0° |
| C16 | C17 | H35 | H1 | 120.0° | 120.0° |
| C16 | C17 | H35 | H34 | 120.0° | 120.0° |
| C16 | C17 | H1 | H34 | 120.0° | 119.9° |
| C16 | C14 | N13 | C8 | 2.5° | 180.0° |
| C16 | C14 | N13 | O15 | 179.7° | 180.0° |
| C16 | C14 | N13 | C12 | 172.2° | 0.1° |
| C14 | C16 | H33 | H40 | 118.4° | 120.0° |
| C14 | C16 | C17 | H35 | 180.0° | 180.0° |
| C14 | C16 | C17 | H1 | 60.0° | 60.0° |
| C14 | C16 | C17 | H34 | 60.0° | 60.0° |
| N5 | N3 | C2 | C7 | 0.1° | 0.2° |
| N5 | N3 | C2 | H4 | 180.0° | 180.0° |
| N5 | N3 | C2 | C1 | 180.0° | 180.0° |
| C7 | C8 | C10 | N13 | 121.0° | 119.4° |
| C7 | C8 | C10 | H9 | 122.5° | 121.0° |
| C7 | C8 | N13 | H9 | 124.5° | 121.1° |
| C7 | C8 | C10 | C11 | 81.7° | 141.6° |
| C8 | C7 | C2 | N3 | 179.6° | 179.8° |
| C7 | C8 | N13 | C14 | 92.0° | 61.7° |
| C7 | C8 | N13 | C12 | 97.4° | 118.4° |
| C8 | C7 | C2 | C1 | 0.3° | 0.1° |
| C7 | C8 | C10 | H28 | 37.2° | 23.2° |
| C7 | C8 | C10 | H27 | 159.4° | 100.0° |
| C10 | C8 | N13 | H9 | 115.7° | 119.5° |
| C10 | C8 | C7 | C2 | 117.5° | 73.3° |
| C8 | C10 | C11 | H28 | 118.9° | 118.4° |
| C8 | C10 | C11 | H27 | 118.9° | 118.3° |
| C10 | C8 | N13 | C14 | 148.1° | 178.9° |
| C10 | C8 | N13 | C12 | 22.4° | 1.0° |
| C8 | C10 | C11 | C12 | 42.1° | 35.5° |
| C8 | C10 | H28 | H27 | 123.2° | 123.2° |
| C8 | C10 | C11 | H30 | 77.1° | 153.6° |
| C8 | C10 | C11 | H29 | 161.2° | 82.6° |
| N13 | C8 | C7 | C2 | 4.4° | 44.4° |
| N13 | C8 | C10 | C11 | 39.2° | 22.2° |
| C8 | N13 | C14 | C12 | 169.7° | 179.9° |
| C8 | N13 | C14 | O15 | 177.1° | 0.0° |
| C8 | N13 | C12 | C11 | 2.5° | 24.1° |
| N13 | C8 | C10 | H28 | 158.1° | 96.2° |
| N13 | C8 | C10 | H27 | 79.7° | 140.6° |
| C8 | N13 | C12 | H32 | 116.5° | 94.7° |
| C8 | N13 | C12 | H31 | 121.6° | 143.0° |
| C7 | C2 | N3 | C1 | 179.9° | 179.8° |
| C7 | C2 | C1 | H25 | 90.1° | 83.9° |
| C7 | C2 | C1 | H26 | 149.9° | 156.1° |
| C7 | C2 | C1 | H24 | 29.9° | 36.1° |
| C2 | C7 | C8 | H9 | 120.3° | 165.7° |
| C7 | C2 | N3 | H4 | 179.9° | 179.8° |
| C10 | C11 | C12 | N13 | 28.0° | 37.0° |
| C10 | C11 | C12 | H30 | 119.1° | 118.0° |
| C10 | C11 | C12 | H29 | 119.1° | 118.1° |
| C11 | C10 | C8 | H9 | 155.7° | 97.4° |
| C11 | C10 | H28 | H27 | 123.2° | 123.3° |
| C10 | C11 | H30 | H29 | 122.5° | 123.9° |
| C10 | C11 | C12 | H32 | 91.0° | 81.8° |
| C10 | C11 | C12 | H31 | 147.0° | 156.0° |
| N3 | C2 | C1 | H25 | 90.1° | 96.4° |
| N3 | C2 | C1 | H26 | 29.9° | 23.6° |
| N3 | C2 | C1 | H24 | 149.9° | 143.6° |
| C14 | N13 | C12 | C11 | 173.7° | 155.8° |
| C14 | N13 | C8 | H9 | 32.4° | 59.4° |
| C14 | N13 | C12 | H32 | 54.6° | 85.3° |
| C14 | N13 | C12 | H31 | 67.3° | 36.9° |
| N13 | C14 | C16 | H33 | 60.1° | 60.0° |
| N13 | C14 | C16 | H40 | 58.9° | 60.0° |
| O15 | C14 | N13 | C12 | 7.5° | 180.0° |
| O15 | C14 | C16 | H33 | 120.2° | 120.0° |
| O15 | C14 | C16 | H40 | 120.8° | 120.0° |
| N13 | C12 | C11 | H32 | 119.0° | 118.8° |
| N13 | C12 | C11 | H31 | 119.0° | 119.0° |
| C12 | N13 | C8 | H9 | 138.1° | 120.5° |
| N13 | C12 | C11 | H30 | 91.1° | 155.1° |
| N13 | C12 | C11 | H29 | 147.1° | 81.1° |
| N13 | C12 | H32 | H31 | 122.8° | 122.3° |
| C2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C2 | C1 | H25 | H24 | 120.0° | 120.0° |
| C2 | C1 | H26 | H24 | 120.0° | 120.0° |
| C1 | C2 | N3 | H4 | 0.0° | 0.0° |
| C12 | C11 | C10 | H28 | 160.9° | 82.9° |
| C12 | C11 | C10 | H27 | 76.8° | 153.8° |
| C12 | C11 | H30 | H29 | 122.6° | 123.9° |
| C11 | C12 | H32 | H31 | 122.9° | 122.2° |
| H25 | C1 | H26 | H24 | 120.0° | 120.1° |
| H9 | C8 | C10 | H28 | 85.4° | 144.2° |
| H9 | C8 | C10 | H27 | 36.9° | 21.0° |
| H28 | C10 | C11 | H30 | 41.8° | 35.2° |
| H28 | C10 | C11 | H29 | 79.9° | 159.0° |
| H27 | C10 | C11 | H30 | 164.1° | 88.1° |
| H27 | C10 | C11 | H29 | 42.3° | 35.7° |
| H30 | C11 | C12 | H32 | 149.9° | 36.2° |
| H30 | C11 | C12 | H31 | 27.9° | 86.0° |
| H29 | C11 | C12 | H32 | 28.1° | 160.1° |
| H29 | C11 | C12 | H31 | 93.9° | 37.9° |
| H33 | C16 | C17 | H35 | 59.5° | 60.0° |
| H33 | C16 | C17 | H1 | 60.5° | 179.9° |
| H33 | C16 | C17 | H34 | 179.5° | 60.0° |
| H40 | C16 | C17 | H35 | 59.5° | 60.0° |
| H40 | C16 | C17 | H1 | 179.5° | 60.1° |
| H40 | C16 | C17 | H34 | 60.5° | 180.0° |
| H36 | C19 | C20 | H37 | 0.0° | 0.3° |
| H38 | C22 | C23 | H39 | 0.0° | 0.6° |
| H35 | C17 | H1 | H34 | 119.9° | 120.1° |
