N6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CL | sing | 1.74Å | 1.76Å | |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C8 | sing | 1.47Å | 1.47Å | |
| N | C9 | sing | 1.47Å | 1.49Å | |
| N | C12 | sing | 1.35Å | 1.34Å | |
| O | C7 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C12 | doub | 1.21Å | 1.24Å | |
| CL1 | C4 | sing | 1.74Å | 1.76Å | |
| C2 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C11 | sing | 1.55Å | 1.52Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C18 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C | C1 | 119.8° | 120.0° |
| CL | C | C6 | 117.2° | 120.0° |
| C1 | C | C6 | 123.0° | 120.0° |
| C | C1 | C2 | 124.3° | 120.0° |
| C | C1 | C3 | 116.5° | 120.0° |
| C | C6 | C5 | 120.6° | 120.0° |
| C | C6 | H6 | 119.7° | 120.0° |
| C8 | N | C9 | 111.7° | 108.7° |
| C8 | N | C12 | 128.5° | 125.7° |
| N | C8 | C11 | 104.1° | 104.8° |
| N | C8 | H8 | 110.8° | 110.4° |
| N | C8 | H8A | 110.8° | 110.4° |
| C9 | N | C12 | 119.8° | 125.6° |
| N | C9 | C7 | 109.9° | 109.9° |
| N | C9 | C10 | 104.3° | 107.3° |
| N | C9 | H9 | 110.3° | 109.9° |
| N | C12 | O1 | 119.8° | 120.0° |
| N | C12 | C13 | 120.2° | 120.0° |
| O | C7 | N2 | 121.9° | 120.0° |
| O | C7 | C9 | 121.2° | 120.0° |
| C2 | C1 | C3 | 119.1° | 120.0° |
| C1 | C2 | N2 | 114.1° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C1 | C2 | H2A | 108.3° | 109.5° |
| C1 | C3 | C4 | 120.8° | 120.0° |
| C1 | C3 | H3 | 119.6° | 120.0° |
| O1 | C12 | C13 | 120.0° | 120.0° |
| CL1 | C4 | C3 | 118.5° | 120.0° |
| CL1 | C4 | C5 | 118.5° | 120.0° |
| C2 | N2 | C7 | 125.5° | 120.0° |
| N2 | C2 | H2 | 108.3° | 109.5° |
| N2 | C2 | H2A | 108.3° | 109.4° |
| C2 | N2 | HN2 | 117.3° | 120.0° |
| N2 | C7 | C9 | 116.8° | 120.1° |
| C7 | N2 | HN2 | 117.2° | 119.9° |
| C3 | C4 | C5 | 123.0° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| N3 | C13 | C12 | 104.9° | 109.4° |
| N3 | C13 | C14 | 110.4° | 109.4° |
| C13 | N3 | HN3 | 109.5° | 111.0° |
| C13 | N3 | HN3A | 109.5° | 111.0° |
| N3 | C13 | H13 | 110.9° | 109.5° |
| C4 | C5 | C6 | 116.2° | 120.0° |
| C4 | C5 | H5 | 121.9° | 120.0° |
| C6 | C5 | H5 | 121.9° | 120.0° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C7 | C9 | C10 | 112.5° | 109.8° |
| C7 | C9 | H9 | 110.0° | 109.9° |
| C8 | C11 | C10 | 104.6° | 101.6° |
| C11 | C8 | H8 | 110.8° | 110.3° |
| C11 | C8 | H8A | 110.8° | 110.4° |
| C8 | C11 | H11 | 110.7° | 111.0° |
| C8 | C11 | H11A | 110.7° | 111.0° |
| C9 | C10 | C11 | 105.7° | 102.9° |
| C10 | C9 | H9 | 109.7° | 110.0° |
| C9 | C10 | H10 | 110.4° | 110.7° |
| C9 | C10 | H10A | 110.4° | 110.7° |
| C11 | C10 | H10 | 110.4° | 110.7° |
| C11 | C10 | H10A | 110.4° | 110.7° |
| C10 | C11 | H11 | 110.7° | 111.0° |
| C10 | C11 | H11A | 110.7° | 111.0° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H13 | 109.9° | 109.5° |
| C13 | C14 | C18 | 114.1° | 109.5° |
| C14 | C13 | H13 | 109.8° | 109.5° |
| C13 | C14 | H14 | 108.3° | 109.4° |
| C13 | C14 | H14A | 108.3° | 109.4° |
| C14 | C18 | C17 | 120.4° | 120.0° |
| C14 | C18 | C19 | 119.4° | 120.0° |
| C18 | C14 | H14 | 108.3° | 109.5° |
| C18 | C14 | H14A | 108.3° | 109.5° |
| C16 | C15 | C20 | 119.3° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C15 | C20 | C19 | 121.5° | 120.0° |
| C20 | C15 | H15 | 120.3° | 120.0° |
| C15 | C20 | H20 | 119.3° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C18 | C19 | C20 | 119.1° | 120.0° |
| C18 | C19 | H19 | 120.4° | 120.0° |
| C20 | C19 | H19 | 120.5° | 120.0° |
| C19 | C20 | H20 | 119.2° | 120.0° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| HN3 | N3 | HN3A | 109.5° | 111.1° |
| H8 | C8 | H8A | 109.5° | 110.4° |
| H10 | C10 | H10A | 109.5° | 110.8° |
| H11 | C11 | H11A | 109.5° | 110.9° |
| H14 | C14 | H14A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C | C1 | C6 | 178.2° | 179.8° |
| CL | C | C1 | C2 | 1.7° | 0.0° |
| CL | C | C1 | C3 | 178.3° | 179.9° |
| CL | C | C6 | C5 | 179.7° | 179.7° |
| CL | C | C6 | H6 | 0.3° | 0.0° |
| C | C1 | C2 | C3 | 176.5° | 180.0° |
| C | C1 | C2 | N2 | 106.1° | 80.0° |
| C | C1 | C3 | C4 | 0.3° | 0.0° |
| C1 | C | C6 | C5 | 1.5° | 0.6° |
| C | C1 | C2 | H2 | 14.6° | 160.0° |
| C | C1 | C2 | H2A | 133.2° | 40.0° |
| C | C1 | C3 | H3 | 179.7° | 180.0° |
| C1 | C | C6 | H6 | 178.5° | 179.7° |
| C6 | C | C1 | C2 | 176.4° | 179.7° |
| C6 | C | C1 | C3 | 0.1° | 0.3° |
| C | C6 | C5 | C4 | 2.2° | 0.5° |
| C | C6 | C5 | H6 | 180.0° | 179.7° |
| C | C6 | C5 | H5 | 177.8° | 179.8° |
| C8 | N | C9 | C12 | 176.8° | 179.7° |
| C8 | N | C12 | O1 | 178.4° | 180.0° |
| C8 | N | C9 | C7 | 121.0° | 118.3° |
| N | C8 | C11 | H8 | 119.2° | 118.8° |
| N | C8 | C11 | H8A | 119.2° | 118.9° |
| C8 | N | C9 | C10 | 0.1° | 1.1° |
| N | C8 | C11 | C10 | 29.7° | 37.0° |
| C8 | N | C12 | C13 | 1.8° | 0.0° |
| N | C8 | H8 | H8A | 122.5° | 122.3° |
| C8 | N | C9 | H9 | 117.6° | 120.6° |
| N | C8 | C11 | H11 | 89.6° | 81.0° |
| N | C8 | C11 | H11A | 148.9° | 155.1° |
| N | C9 | C7 | O | 42.9° | 0.0° |
| C9 | N | C12 | O1 | 2.1° | 0.3° |
| N | C9 | C7 | N2 | 137.2° | 180.0° |
| N | C9 | C7 | C10 | 115.7° | 117.8° |
| N | C9 | C7 | H9 | 121.6° | 121.1° |
| C9 | N | C8 | C11 | 18.6° | 24.1° |
| N | C9 | C10 | H9 | 118.1° | 119.5° |
| N | C9 | C10 | C11 | 18.9° | 22.2° |
| C9 | N | C12 | C13 | 178.0° | 179.7° |
| C9 | N | C8 | H8 | 137.7° | 142.9° |
| C9 | N | C8 | H8A | 100.5° | 94.7° |
| N | C9 | C10 | H10 | 100.5° | 96.1° |
| N | C9 | C10 | H10A | 138.3° | 140.5° |
| N | C12 | O1 | C13 | 179.8° | 180.0° |
| N | C12 | C13 | N3 | 132.3° | 160.0° |
| C12 | N | C9 | C7 | 55.9° | 61.4° |
| C12 | N | C8 | C11 | 164.9° | 156.1° |
| C12 | N | C9 | C10 | 176.7° | 179.2° |
| N | C12 | C13 | C14 | 108.5° | 80.0° |
| C12 | N | C8 | H8 | 45.8° | 37.3° |
| C12 | N | C8 | H8A | 76.0° | 85.0° |
| C12 | N | C9 | H9 | 65.6° | 59.7° |
| N | C12 | C13 | H13 | 13.1° | 40.0° |
| O | C7 | N2 | C2 | 0.4° | 0.0° |
| O | C7 | N2 | C9 | 179.9° | 180.0° |
| O | C7 | C9 | C10 | 72.8° | 117.8° |
| O | C7 | N2 | HN2 | 179.6° | 180.0° |
| O | C7 | C9 | H9 | 164.5° | 121.1° |
| C1 | C2 | N2 | H2 | 120.7° | 120.0° |
| C1 | C2 | N2 | H2A | 120.7° | 120.0° |
| C1 | C2 | N2 | C7 | 107.2° | 180.0° |
| C2 | C1 | C3 | C4 | 177.1° | 180.0° |
| C1 | C2 | H2 | H2A | 117.9° | 120.1° |
| C1 | C2 | N2 | HN2 | 72.8° | 0.0° |
| C2 | C1 | C3 | H3 | 2.9° | 0.0° |
| C1 | C3 | C4 | CL1 | 179.9° | 180.0° |
| C3 | C1 | C2 | N2 | 77.4° | 100.0° |
| C1 | C3 | C4 | H3 | 180.0° | 180.0° |
| C1 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C1 | C2 | H2 | 161.9° | 20.0° |
| C3 | C1 | C2 | H2A | 43.3° | 140.0° |
| O1 | C12 | C13 | N3 | 47.8° | 20.0° |
| O1 | C12 | C13 | C14 | 71.4° | 100.0° |
| O1 | C12 | C13 | H13 | 167.1° | 140.0° |
| CL1 | C4 | C3 | C5 | 179.6° | 180.0° |
| CL1 | C4 | C5 | C6 | 178.6° | 179.7° |
| CL1 | C4 | C3 | H3 | 0.1° | 0.0° |
| CL1 | C4 | C5 | H5 | 1.4° | 0.0° |
| C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C2 | N2 | C7 | C9 | 179.7° | 180.0° |
| N2 | C2 | H2 | H2A | 117.9° | 119.9° |
| N2 | C7 | C9 | C10 | 107.0° | 62.2° |
| C7 | N2 | C2 | H2 | 13.5° | 60.0° |
| C7 | N2 | C2 | H2A | 132.2° | 60.0° |
| N2 | C7 | C9 | H9 | 15.6° | 58.9° |
| C3 | C4 | C5 | C6 | 1.8° | 0.3° |
| C3 | C4 | C5 | H5 | 178.2° | 180.0° |
| N3 | C13 | C12 | C14 | 119.2° | 120.0° |
| N3 | C13 | C12 | H13 | 119.3° | 120.0° |
| N3 | C13 | C14 | H13 | 122.6° | 120.0° |
| N3 | C13 | C14 | C18 | 177.1° | 65.0° |
| C13 | N3 | HN3 | HN3A | 120.0° | 124.0° |
| N3 | C13 | C14 | H14 | 62.2° | 175.0° |
| N3 | C13 | C14 | H14A | 56.5° | 55.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 177.7° | 179.7° |
| C7 | C9 | C10 | H9 | 122.9° | 121.0° |
| C7 | C9 | C10 | C11 | 138.0° | 141.6° |
| C9 | C7 | N2 | HN2 | 0.3° | 0.0° |
| C7 | C9 | C10 | H10 | 18.6° | 23.3° |
| C7 | C9 | C10 | H10A | 102.6° | 100.0° |
| C8 | C11 | C10 | C9 | 30.4° | 35.5° |
| C8 | C11 | C10 | H11 | 119.2° | 118.0° |
| C8 | C11 | C10 | H11A | 119.2° | 118.1° |
| C11 | C8 | H8 | H8A | 122.5° | 122.3° |
| C8 | C11 | C10 | H10 | 89.1° | 82.8° |
| C8 | C11 | C10 | H10A | 149.8° | 153.8° |
| C8 | C11 | H11 | H11A | 122.3° | 123.9° |
| C9 | C10 | C11 | H10 | 119.4° | 118.3° |
| C9 | C10 | C11 | H10A | 119.4° | 118.3° |
| C9 | C10 | H10 | H10A | 121.7° | 123.3° |
| C9 | C10 | C11 | H11 | 88.9° | 82.6° |
| C9 | C10 | C11 | H11A | 149.6° | 153.6° |
| C10 | C11 | C8 | H8 | 148.8° | 155.8° |
| C10 | C11 | C8 | H8A | 89.5° | 81.9° |
| C11 | C10 | C9 | H9 | 99.1° | 97.3° |
| C11 | C10 | H10 | H10A | 121.7° | 123.3° |
| C10 | C11 | H11 | H11A | 122.2° | 123.9° |
| C12 | C13 | C14 | H13 | 121.6° | 120.1° |
| C12 | C13 | C14 | C18 | 67.0° | 175.0° |
| C12 | C13 | N3 | HN3 | 180.0° | 60.0° |
| C12 | C13 | N3 | HN3A | 60.0° | 64.0° |
| C12 | C13 | C14 | H14 | 53.7° | 55.0° |
| C12 | C13 | C14 | H14A | 172.3° | 65.0° |
| C13 | C14 | C18 | H14 | 120.7° | 119.9° |
| C13 | C14 | C18 | H14A | 120.7° | 120.0° |
| C13 | C14 | C18 | C17 | 119.3° | 90.0° |
| C13 | C14 | C18 | C19 | 61.8° | 90.1° |
| C14 | C13 | N3 | HN3 | 60.5° | 60.0° |
| C14 | C13 | N3 | HN3A | 59.5° | 176.0° |
| C13 | C14 | H14 | H14A | 117.9° | 120.0° |
| C14 | C18 | C17 | C16 | 179.7° | 179.9° |
| C14 | C18 | C17 | C19 | 178.9° | 179.9° |
| C14 | C18 | C19 | C20 | 179.4° | 180.0° |
| C18 | C14 | C13 | H13 | 54.6° | 55.0° |
| C18 | C14 | H14 | H14A | 117.9° | 120.1° |
| C14 | C18 | C17 | H17 | 0.3° | 0.0° |
| C14 | C18 | C19 | H19 | 0.6° | 0.1° |
| C16 | C15 | C20 | H15 | 180.0° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C15 | C20 | C19 | 0.6° | 0.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C15 | C20 | H20 | 179.4° | 180.0° |
| C20 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C20 | C19 | C18 | 0.2° | 0.1° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C20 | C19 | H19 | 179.8° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.8° | 0.0° |
| C17 | C16 | C15 | H15 | 179.7° | 179.7° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C17 | C18 | C14 | H14 | 1.4° | 29.9° |
| C17 | C18 | C14 | H14A | 120.0° | 150.0° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C19 | C18 | C14 | H14 | 177.5° | 150.0° |
| C19 | C18 | C14 | H14A | 58.9° | 29.9° |
| C19 | C18 | C17 | H17 | 179.2° | 179.9° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C20 | C15 | H15 | 179.4° | 179.8° |
| H2 | C2 | N2 | HN2 | 166.5° | 120.0° |
| H2A | C2 | N2 | HN2 | 47.9° | 120.0° |
| HN3 | N3 | C13 | H13 | 61.4° | 179.9° |
| HN3A | N3 | C13 | H13 | 178.6° | 56.0° |
| H5 | C5 | C6 | H6 | 2.2° | 0.1° |
| H8 | C8 | C11 | H11 | 29.6° | 37.8° |
| H8 | C8 | C11 | H11A | 91.9° | 86.1° |
| H8A | C8 | C11 | H11 | 151.3° | 160.1° |
| H8A | C8 | C11 | H11A | 29.7° | 36.2° |
| H9 | C9 | C10 | H10 | 141.4° | 144.3° |
| H9 | C9 | C10 | H10A | 20.3° | 21.0° |
| H10 | C10 | C11 | H11 | 151.7° | 159.1° |
| H10 | C10 | C11 | H11A | 30.2° | 35.2° |
| H10A | C10 | C11 | H11 | 30.5° | 35.8° |
| H10A | C10 | C11 | H11A | 91.0° | 88.1° |
| H13 | C13 | C14 | H14 | 175.3° | 65.0° |
| H13 | C13 | C14 | H14A | 66.1° | 175.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.2° |
| H15 | C15 | C20 | H20 | 0.6° | 0.2° |
| H16 | C16 | C17 | H17 | 0.3° | 0.1° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
