NR8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C | sing | 1.74Å | 1.71Å | |
| N | C | doub | 1.32Å | 1.32Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.33Å | Aromatic |
| C | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | N1 | trip | 1.14Å | 1.13Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.36Å | |
| N2 | C6 | sing | 1.40Å | 1.39Å | |
| C6 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C15 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N3 | sing | 1.39Å | 1.45Å | |
| C10 | N4 | sing | 1.40Å | 1.41Å | |
| N3 | C14 | sing | 1.47Å | 1.57Å | |
| N3 | C9 | sing | 1.35Å | 1.41Å | |
| N4 | C9 | sing | 1.35Å | 1.38Å | |
| N4 | C13 | sing | 1.47Å | 1.46Å | |
| C9 | O | doub | 1.22Å | 1.21Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C | N | 116.0° | 119.7° |
| CL | C | C4 | 118.8° | 119.7° |
| C | N | C1 | 116.8° | 122.1° |
| N | C | C4 | 125.1° | 120.6° |
| N | C1 | C2 | 124.0° | 121.3° |
| N | C1 | H1 | 118.0° | 119.4° |
| C | C4 | C5 | 122.5° | 120.6° |
| C | C4 | C3 | 117.1° | 118.7° |
| C1 | C2 | C3 | 118.7° | 119.2° |
| C2 | C1 | H1 | 118.0° | 119.4° |
| C1 | C2 | H2 | 120.7° | 120.4° |
| C5 | C4 | C3 | 120.4° | 120.7° |
| C4 | C5 | N1 | 178.4° | 180.0° |
| C4 | C3 | C2 | 118.3° | 118.1° |
| C4 | C3 | N2 | 121.2° | 120.9° |
| C2 | C3 | N2 | 120.4° | 121.0° |
| C3 | C2 | H2 | 120.7° | 120.3° |
| C3 | N2 | C6 | 121.8° | 120.0° |
| C3 | N2 | H18 | 119.1° | 120.0° |
| N2 | C6 | C12 | 121.9° | 120.0° |
| N2 | C6 | C7 | 117.6° | 120.0° |
| C6 | N2 | H18 | 119.1° | 120.0° |
| C12 | C6 | C7 | 120.4° | 120.0° |
| C6 | C12 | C11 | 120.8° | 120.3° |
| C6 | C12 | H5 | 119.6° | 119.8° |
| C6 | C7 | C8 | 118.3° | 119.8° |
| C6 | C7 | H3 | 120.8° | 120.1° |
| O1 | C15 | C16 | 109.5° | 109.5° |
| O1 | C15 | C14 | 109.4° | 109.5° |
| O1 | C15 | H11 | 109.2° | 109.5° |
| C15 | O1 | H17 | 109.5° | 114.0° |
| C12 | C11 | C10 | 118.4° | 119.9° |
| C12 | C11 | H4 | 120.8° | 120.0° |
| C11 | C12 | H5 | 119.6° | 119.9° |
| C7 | C8 | C10 | 121.5° | 120.0° |
| C7 | C8 | N3 | 131.8° | 133.3° |
| C8 | C7 | H3 | 120.9° | 120.1° |
| C17 | C16 | C15 | 115.9° | 109.4° |
| C17 | C16 | H12 | 107.9° | 109.5° |
| C17 | C16 | H13 | 107.9° | 109.5° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C16 | C17 | H15 | 109.5° | 109.5° |
| C16 | C17 | H16 | 109.5° | 109.5° |
| C11 | C10 | C8 | 120.6° | 120.0° |
| C11 | C10 | N4 | 131.3° | 133.2° |
| C10 | C11 | H4 | 120.8° | 120.1° |
| C16 | C15 | C14 | 112.6° | 109.4° |
| C16 | C15 | H11 | 108.1° | 109.4° |
| C15 | C16 | H12 | 107.8° | 109.5° |
| C15 | C16 | H13 | 107.9° | 109.5° |
| C15 | C14 | N3 | 111.5° | 109.4° |
| C15 | C14 | H9 | 109.0° | 109.4° |
| C15 | C14 | H10 | 109.0° | 109.5° |
| C14 | C15 | H11 | 108.0° | 109.5° |
| C10 | C8 | N3 | 106.7° | 106.8° |
| C8 | C10 | N4 | 108.1° | 106.7° |
| C8 | N3 | C14 | 124.6° | 125.8° |
| C8 | N3 | C9 | 108.2° | 108.4° |
| C10 | N4 | C9 | 110.5° | 108.4° |
| C10 | N4 | C13 | 125.7° | 125.8° |
| C14 | N3 | C9 | 127.1° | 125.8° |
| N3 | C14 | H9 | 109.0° | 109.4° |
| N3 | C14 | H10 | 109.0° | 109.5° |
| N3 | C9 | N4 | 106.5° | 109.7° |
| N3 | C9 | O | 126.5° | 125.1° |
| C9 | N4 | C13 | 123.8° | 125.9° |
| N4 | C9 | O | 127.1° | 125.2° |
| N4 | C13 | H6 | 109.5° | 109.5° |
| N4 | C13 | H7 | 109.5° | 109.4° |
| N4 | C13 | H8 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H6 | C13 | H8 | 109.5° | 109.6° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H14 | C17 | H15 | 109.4° | 109.4° |
| H14 | C17 | H16 | 109.4° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C | N | C4 | 177.6° | 179.5° |
| CL | C | N | C1 | 176.9° | 180.0° |
| CL | C | C4 | C5 | 6.4° | 0.2° |
| CL | C | C4 | C3 | 175.3° | 179.8° |
| C | N | C1 | C2 | 0.8° | 0.5° |
| N | C | C4 | C5 | 176.1° | 179.7° |
| N | C | C4 | C3 | 2.2° | 0.2° |
| C | N | C1 | H1 | 179.2° | 179.7° |
| C1 | N | C | C4 | 0.7° | 0.5° |
| N | C1 | C2 | H1 | 180.0° | 179.8° |
| N | C1 | C2 | C3 | 0.6° | 0.3° |
| N | C1 | C2 | H2 | 179.4° | 179.8° |
| C | C4 | C5 | C3 | 178.2° | 180.0° |
| C | C4 | C5 | N1 | 4.8° | 168.9° |
| C | C4 | C3 | C2 | 2.2° | 0.0° |
| C | C4 | C3 | N2 | 174.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N2 | 176.1° | 180.0° |
| C5 | C4 | C3 | C2 | 176.1° | 179.9° |
| C5 | C4 | C3 | N2 | 6.9° | 0.0° |
| C3 | C4 | C5 | N1 | 177.0° | 11.1° |
| C4 | C3 | C2 | N2 | 177.0° | 179.9° |
| C4 | C3 | N2 | C6 | 177.5° | 172.5° |
| C4 | C3 | C2 | H2 | 179.0° | 180.0° |
| C4 | C3 | N2 | H18 | 2.5° | 7.6° |
| C2 | C3 | N2 | C6 | 0.6° | 7.4° |
| C3 | C2 | C1 | H1 | 179.4° | 179.9° |
| C2 | C3 | N2 | H18 | 179.4° | 172.5° |
| C3 | N2 | C6 | H18 | 180.0° | 179.9° |
| C3 | N2 | C6 | C12 | 60.3° | 138.3° |
| C3 | N2 | C6 | C7 | 116.8° | 41.9° |
| N2 | C3 | C2 | H2 | 4.0° | 0.1° |
| N2 | C6 | C12 | C7 | 177.0° | 179.8° |
| N2 | C6 | C12 | C11 | 176.2° | 179.7° |
| N2 | C6 | C7 | C8 | 176.3° | 179.7° |
| N2 | C6 | C7 | H3 | 3.7° | 0.3° |
| N2 | C6 | C12 | H5 | 3.8° | 0.2° |
| C6 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C6 | C7 | C8 | 0.8° | 0.1° |
| C6 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | C6 | C7 | H3 | 179.2° | 179.9° |
| C6 | C12 | C11 | H4 | 179.8° | 180.0° |
| C12 | C6 | N2 | H18 | 119.7° | 41.6° |
| C7 | C6 | C12 | C11 | 0.8° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 0.4° | 0.0° |
| C6 | C7 | C8 | N3 | 178.0° | 180.0° |
| C7 | C6 | C12 | H5 | 179.2° | 180.0° |
| C7 | C6 | N2 | H18 | 63.2° | 138.2° |
| O1 | C15 | C16 | C17 | 59.3° | 65.0° |
| O1 | C15 | C16 | C14 | 121.9° | 120.0° |
| O1 | C15 | C16 | H11 | 118.9° | 120.0° |
| O1 | C15 | C14 | H11 | 118.8° | 120.1° |
| O1 | C15 | C14 | N3 | 59.5° | 65.1° |
| O1 | C15 | C14 | H9 | 179.8° | 175.0° |
| O1 | C15 | C14 | H10 | 60.8° | 55.0° |
| O1 | C15 | C16 | H12 | 61.6° | 55.0° |
| O1 | C15 | C16 | H13 | 179.7° | 175.0° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | C8 | 0.2° | 0.1° |
| C12 | C11 | C10 | N4 | 178.4° | 180.0° |
| C7 | C8 | C10 | C11 | 0.2° | 0.1° |
| C7 | C8 | C10 | N3 | 178.7° | 180.0° |
| C7 | C8 | C10 | N4 | 178.8° | 180.0° |
| C7 | C8 | N3 | C14 | 3.1° | 0.0° |
| C7 | C8 | N3 | C9 | 178.5° | 180.0° |
| C17 | C16 | C15 | H12 | 121.0° | 120.0° |
| C17 | C16 | C15 | H13 | 120.9° | 120.0° |
| C17 | C16 | C15 | C14 | 62.6° | 175.0° |
| C17 | C16 | C15 | H11 | 178.2° | 55.0° |
| C17 | C16 | H12 | H13 | 117.1° | 120.0° |
| C16 | C17 | H14 | H15 | 120.0° | 120.0° |
| C16 | C17 | H14 | H16 | 120.0° | 120.0° |
| C16 | C17 | H15 | H16 | 120.0° | 120.0° |
| C11 | C10 | C8 | N4 | 178.9° | 179.9° |
| C11 | C10 | C8 | N3 | 178.9° | 180.0° |
| C11 | C10 | N4 | C9 | 178.6° | 180.0° |
| C11 | C10 | N4 | C13 | 0.9° | 0.1° |
| C10 | C11 | C12 | H5 | 179.7° | 180.0° |
| C16 | C15 | C14 | H11 | 119.3° | 120.0° |
| C16 | C15 | C14 | N3 | 178.6° | 175.0° |
| C16 | C15 | C14 | H9 | 58.3° | 55.1° |
| C16 | C15 | C14 | H10 | 61.1° | 65.0° |
| C15 | C16 | H12 | H13 | 117.1° | 120.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H15 | 60.0° | 60.0° |
| C15 | C16 | C17 | H16 | 60.0° | 60.0° |
| C16 | C15 | O1 | H17 | 180.0° | 60.0° |
| C15 | C14 | N3 | C8 | 91.6° | 90.0° |
| C15 | C14 | N3 | H9 | 120.3° | 119.9° |
| C15 | C14 | N3 | H10 | 120.3° | 120.0° |
| C15 | C14 | N3 | C9 | 82.9° | 90.1° |
| C15 | C14 | H9 | H10 | 119.1° | 120.0° |
| C14 | C15 | C16 | H12 | 176.4° | 65.0° |
| C14 | C15 | C16 | H13 | 58.3° | 55.0° |
| C14 | C15 | O1 | H17 | 56.2° | 60.0° |
| C10 | C8 | N3 | C14 | 175.4° | 180.0° |
| C10 | C8 | N3 | C9 | 0.0° | 0.0° |
| C8 | C10 | N4 | C9 | 0.1° | 0.1° |
| C8 | C10 | N4 | C13 | 179.6° | 180.0° |
| C10 | C8 | C7 | H3 | 179.6° | 179.9° |
| C8 | C10 | C11 | H4 | 179.8° | 180.0° |
| N3 | C8 | C10 | N4 | 0.0° | 0.0° |
| C8 | N3 | C14 | C9 | 174.5° | 180.0° |
| C8 | N3 | C9 | N4 | 0.1° | 0.0° |
| C8 | N3 | C9 | O | 178.5° | 180.0° |
| N3 | C8 | C7 | H3 | 2.0° | 0.0° |
| C8 | N3 | C14 | H9 | 148.1° | 29.9° |
| C8 | N3 | C14 | H10 | 28.7° | 150.0° |
| C10 | N4 | C9 | N3 | 0.1° | 0.1° |
| C10 | N4 | C9 | C13 | 179.5° | 179.9° |
| C10 | N4 | C9 | O | 178.4° | 180.0° |
| N4 | C10 | C11 | H4 | 1.6° | 0.1° |
| C10 | N4 | C13 | H6 | 180.0° | 90.0° |
| C10 | N4 | C13 | H7 | 60.0° | 150.1° |
| C10 | N4 | C13 | H8 | 60.0° | 30.1° |
| C14 | N3 | C9 | N4 | 175.3° | 180.0° |
| C14 | N3 | C9 | O | 3.3° | 0.1° |
| N3 | C14 | H9 | H10 | 119.1° | 120.1° |
| N3 | C14 | C15 | H11 | 59.3° | 55.0° |
| N3 | C9 | N4 | O | 178.6° | 179.9° |
| N3 | C9 | N4 | C13 | 179.7° | 180.0° |
| C9 | N3 | C14 | H9 | 37.4° | 150.0° |
| C9 | N3 | C14 | H10 | 156.8° | 29.9° |
| C9 | N4 | C13 | H6 | 0.5° | 89.9° |
| C9 | N4 | C13 | H7 | 120.5° | 30.0° |
| C9 | N4 | C13 | H8 | 119.5° | 150.0° |
| C13 | N4 | C9 | O | 1.1° | 0.1° |
| N4 | C13 | H6 | H7 | 120.0° | 119.9° |
| N4 | C13 | H6 | H8 | 120.0° | 120.1° |
| N4 | C13 | H7 | H8 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.0° |
| H4 | C11 | C12 | H5 | 0.2° | 0.1° |
| H6 | C13 | H7 | H8 | 120.0° | 120.1° |
| H9 | C14 | C15 | H11 | 61.0° | 64.9° |
| H10 | C14 | C15 | H11 | 179.6° | 175.0° |
| H11 | C15 | C16 | H12 | 57.2° | 175.0° |
| H11 | C15 | C16 | H13 | 60.9° | 65.0° |
| H11 | C15 | O1 | H17 | 61.8° | 179.9° |
| H12 | C16 | C17 | H14 | 59.1° | 60.0° |
| H12 | C16 | C17 | H15 | 60.9° | 180.0° |
| H12 | C16 | C17 | H16 | 179.0° | 60.0° |
| H13 | C16 | C17 | H14 | 59.0° | 60.0° |
| H13 | C16 | C17 | H15 | 179.1° | 60.0° |
| H13 | C16 | C17 | H16 | 60.9° | 180.0° |
| H14 | C17 | H15 | H16 | 119.9° | 120.0° |
