4RN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C8 | sing | 1.74Å | 1.73Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | N | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| CL | C6 | sing | 1.74Å | 1.75Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C11 | sing | 1.38Å | 1.34Å | |
| C11 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
| C11 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| N4 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C12 | doub | 1.41Å | 1.37Å | Aromatic |
| C16 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C8 | C9 | 118.7° | 120.0° |
| CL1 | C8 | C7 | 119.0° | 120.0° |
| C9 | C8 | C7 | 122.2° | 119.9° |
| C8 | C9 | C4 | 119.7° | 120.0° |
| C8 | C9 | H11 | 120.2° | 120.0° |
| C8 | C7 | C6 | 117.5° | 120.0° |
| C8 | C7 | H7 | 121.3° | 119.9° |
| C9 | C4 | C3 | 119.3° | 120.0° |
| C9 | C4 | C5 | 119.1° | 120.0° |
| C4 | C9 | H11 | 120.1° | 120.0° |
| C7 | C6 | CL | 118.9° | 120.0° |
| C7 | C6 | C5 | 121.9° | 119.9° |
| C6 | C7 | H7 | 121.2° | 120.0° |
| C4 | C3 | N | 113.5° | 109.5° |
| C3 | C4 | C5 | 121.6° | 120.0° |
| C4 | C3 | H4 | 108.5° | 109.5° |
| C4 | C3 | H5 | 108.5° | 109.5° |
| C3 | N | C2 | 115.1° | 111.0° |
| N | C3 | H4 | 108.4° | 109.5° |
| N | C3 | H5 | 108.4° | 109.5° |
| C3 | N | H12 | 108.0° | 111.0° |
| C4 | C5 | C6 | 119.6° | 120.1° |
| C4 | C5 | H6 | 120.2° | 120.0° |
| CL | C6 | C5 | 119.2° | 120.0° |
| C6 | C5 | H6 | 120.2° | 120.0° |
| N | C2 | C1 | 108.3° | 109.5° |
| N | C2 | H2 | 109.8° | 109.5° |
| N | C2 | H3 | 109.7° | 109.5° |
| C2 | N | H12 | 108.0° | 111.0° |
| C2 | C1 | C | 110.4° | 109.5° |
| C2 | C1 | C10 | 113.4° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.4° |
| C1 | C2 | H2 | 109.8° | 109.4° |
| C1 | C2 | H3 | 109.8° | 109.5° |
| C | C1 | C10 | 106.7° | 109.5° |
| C | C1 | H1 | 109.0° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.4° | 109.5° |
| C1 | C10 | N1 | 114.5° | 109.5° |
| C10 | C1 | H1 | 108.7° | 109.5° |
| C1 | C10 | H17 | 108.2° | 109.5° |
| C1 | C10 | H18 | 108.2° | 109.5° |
| C10 | N1 | C11 | 123.7° | 120.0° |
| C10 | N1 | H8 | 105.8° | 119.9° |
| N1 | C10 | H17 | 108.2° | 109.4° |
| N1 | C10 | H18 | 108.2° | 109.5° |
| N1 | C11 | N4 | 124.4° | 125.1° |
| N1 | C11 | N2 | 124.1° | 125.1° |
| C11 | N1 | H8 | 105.8° | 120.0° |
| N4 | C11 | N2 | 111.5° | 109.8° |
| C11 | N4 | C16 | 105.7° | 109.8° |
| C11 | N2 | C12 | 107.2° | 107.2° |
| C11 | N2 | H9 | 126.4° | 126.4° |
| N4 | C16 | C12 | 109.8° | 106.9° |
| N4 | C16 | N3 | 127.0° | 133.2° |
| N2 | C12 | C16 | 105.7° | 106.3° |
| N2 | C12 | C13 | 133.4° | 134.2° |
| C12 | N2 | H9 | 126.4° | 126.4° |
| C12 | C16 | N3 | 122.9° | 119.9° |
| C16 | C12 | C13 | 120.2° | 119.5° |
| C16 | N3 | C15 | 116.7° | 121.5° |
| C12 | C13 | C14 | 117.4° | 118.2° |
| C12 | C13 | H21 | 121.3° | 120.9° |
| N3 | C15 | C14 | 123.8° | 121.4° |
| N3 | C15 | H19 | 118.1° | 119.3° |
| C13 | C14 | C15 | 119.0° | 119.4° |
| C13 | C14 | H20 | 120.5° | 120.3° |
| C14 | C13 | H21 | 121.3° | 120.9° |
| C14 | C15 | H19 | 118.1° | 119.3° |
| C15 | C14 | H20 | 120.5° | 120.3° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.4° |
| H17 | C10 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C8 | C9 | C7 | 179.2° | 179.5° |
| CL1 | C8 | C9 | C4 | 179.7° | 180.0° |
| CL1 | C8 | C7 | C6 | 179.0° | 179.7° |
| CL1 | C8 | C7 | H7 | 1.0° | 0.3° |
| CL1 | C8 | C9 | H11 | 0.3° | 0.5° |
| C8 | C9 | C4 | H11 | 180.0° | 179.5° |
| C9 | C8 | C7 | C6 | 0.2° | 0.2° |
| C8 | C9 | C4 | C3 | 179.3° | 179.7° |
| C8 | C9 | C4 | C5 | 0.3° | 0.5° |
| C9 | C8 | C7 | H7 | 179.8° | 179.8° |
| C7 | C8 | C9 | C4 | 0.5° | 0.5° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | CL | 177.5° | 180.0° |
| C8 | C7 | C6 | C5 | 1.2° | 0.1° |
| C7 | C8 | C9 | H11 | 179.5° | 180.0° |
| C9 | C4 | C3 | C5 | 178.9° | 179.7° |
| C9 | C4 | C3 | N | 88.0° | 90.3° |
| C9 | C4 | C5 | C6 | 0.7° | 0.3° |
| C9 | C4 | C3 | H4 | 32.6° | 29.8° |
| C9 | C4 | C3 | H5 | 151.3° | 149.7° |
| C9 | C4 | C5 | H6 | 179.3° | 179.8° |
| C7 | C6 | C5 | C4 | 1.4° | 0.0° |
| C7 | C6 | CL | C5 | 178.7° | 179.9° |
| C7 | C6 | C5 | H6 | 178.6° | 179.9° |
| C4 | C3 | N | H4 | 120.6° | 120.1° |
| C4 | C3 | N | H5 | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 178.3° | 180.0° |
| C4 | C3 | N | C2 | 78.0° | 180.0° |
| C4 | C3 | H4 | H5 | 118.2° | 120.0° |
| C3 | C4 | C5 | H6 | 1.7° | 0.1° |
| C3 | C4 | C9 | H11 | 0.7° | 0.2° |
| C4 | C3 | N | H12 | 161.2° | 56.0° |
| N | C3 | C4 | C5 | 93.0° | 90.0° |
| C3 | N | C2 | H12 | 120.8° | 124.0° |
| C3 | N | C2 | C1 | 170.6° | 180.0° |
| C3 | N | C2 | H2 | 69.5° | 60.0° |
| C3 | N | C2 | H3 | 50.8° | 60.0° |
| N | C3 | H4 | H5 | 118.1° | 120.0° |
| C4 | C5 | C6 | CL | 177.2° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | H4 | 146.4° | 150.0° |
| C5 | C4 | C3 | H5 | 27.6° | 30.0° |
| C5 | C4 | C9 | H11 | 179.7° | 179.9° |
| CL | C6 | C5 | H6 | 2.8° | 0.0° |
| CL | C6 | C7 | H7 | 2.5° | 0.1° |
| C5 | C6 | C7 | H7 | 178.8° | 180.0° |
| N | C2 | C1 | H2 | 119.8° | 120.0° |
| N | C2 | C1 | H3 | 119.8° | 120.0° |
| N | C2 | C1 | C | 94.8° | 65.0° |
| N | C2 | C1 | C10 | 145.5° | 175.0° |
| N | C2 | C1 | H1 | 24.6° | 55.0° |
| N | C2 | H2 | H3 | 120.5° | 120.0° |
| C2 | N | C3 | H4 | 42.6° | 60.0° |
| C2 | N | C3 | H5 | 161.4° | 60.0° |
| C2 | C1 | C | C10 | 123.7° | 120.0° |
| C2 | C1 | C | H1 | 119.0° | 120.0° |
| C2 | C1 | C10 | H1 | 120.7° | 120.0° |
| C2 | C1 | C10 | N1 | 70.0° | 175.0° |
| C1 | C2 | H2 | H3 | 120.6° | 120.0° |
| C1 | C2 | N | H12 | 49.8° | 56.0° |
| C2 | C1 | C | H14 | 180.0° | 60.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 180.0° |
| C2 | C1 | C10 | H17 | 50.7° | 55.0° |
| C2 | C1 | C10 | H18 | 169.2° | 65.0° |
| C | C1 | C10 | H1 | 117.5° | 120.0° |
| C | C1 | C10 | N1 | 168.2° | 65.0° |
| C | C1 | C2 | H2 | 145.4° | 55.0° |
| C | C1 | C2 | H3 | 25.0° | 175.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C | C1 | C10 | H17 | 71.1° | 175.0° |
| C | C1 | C10 | H18 | 47.5° | 55.0° |
| C1 | C10 | N1 | H17 | 120.7° | 120.0° |
| C1 | C10 | N1 | H18 | 120.7° | 120.0° |
| C1 | C10 | N1 | C11 | 178.8° | 180.0° |
| C10 | C1 | C2 | H2 | 25.7° | 65.0° |
| C10 | C1 | C2 | H3 | 94.7° | 55.0° |
| C1 | C10 | N1 | H8 | 59.3° | 0.0° |
| C10 | C1 | C | H14 | 56.3° | 60.0° |
| C10 | C1 | C | H15 | 63.7° | 180.0° |
| C10 | C1 | C | H16 | 176.3° | 60.0° |
| C1 | C10 | H17 | H18 | 117.7° | 120.0° |
| C10 | N1 | C11 | H8 | 121.9° | 180.0° |
| C10 | N1 | C11 | N4 | 0.7° | 180.0° |
| C10 | N1 | C11 | N2 | 179.5° | 0.0° |
| N1 | C10 | C1 | H1 | 50.7° | 55.0° |
| N1 | C10 | H17 | H18 | 117.7° | 119.9° |
| N1 | C11 | N4 | N2 | 178.9° | 180.0° |
| N1 | C11 | N4 | C16 | 178.3° | 179.7° |
| N1 | C11 | N2 | C12 | 178.8° | 180.0° |
| N1 | C11 | N2 | H9 | 1.2° | 0.2° |
| C11 | N1 | C10 | H17 | 58.1° | 60.0° |
| C11 | N1 | C10 | H18 | 60.5° | 59.9° |
| N4 | C11 | N2 | C12 | 0.1° | 0.0° |
| C11 | N4 | C16 | C12 | 0.9° | 0.4° |
| C11 | N4 | C16 | N3 | 173.0° | 180.0° |
| N4 | C11 | N1 | H8 | 122.7° | 0.1° |
| N4 | C11 | N2 | H9 | 179.9° | 179.8° |
| N2 | C11 | N4 | C16 | 0.6° | 0.3° |
| C11 | N2 | C12 | H9 | 180.0° | 179.8° |
| C11 | N2 | C12 | C16 | 0.4° | 0.2° |
| C11 | N2 | C12 | C13 | 170.8° | 179.8° |
| N2 | C11 | N1 | H8 | 58.5° | 180.0° |
| N4 | C16 | C12 | N2 | 0.8° | 0.4° |
| N4 | C16 | C12 | N3 | 174.2° | 179.6° |
| N4 | C16 | C12 | C13 | 172.7° | 179.6° |
| N4 | C16 | N3 | C15 | 171.8° | 179.4° |
| N2 | C12 | C16 | C13 | 171.9° | 180.0° |
| N2 | C12 | C16 | N3 | 173.3° | 180.0° |
| N2 | C12 | C13 | C14 | 169.8° | 180.0° |
| N2 | C12 | C13 | H21 | 10.2° | 0.1° |
| C12 | C16 | N3 | C15 | 1.3° | 0.1° |
| C16 | C12 | C13 | C14 | 0.5° | 0.0° |
| C16 | C12 | N2 | H9 | 179.6° | 180.0° |
| C16 | C12 | C13 | H21 | 179.5° | 180.0° |
| N3 | C16 | C12 | C13 | 1.4° | 0.0° |
| C16 | N3 | C15 | C14 | 0.3° | 0.2° |
| C16 | N3 | C15 | H19 | 179.7° | 180.0° |
| C12 | C13 | C14 | H21 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C12 | N2 | H9 | 9.2° | 0.0° |
| C12 | C13 | C14 | H20 | 179.6° | 180.0° |
| N3 | C15 | C14 | C13 | 0.5° | 0.1° |
| N3 | C15 | C14 | H19 | 180.0° | 179.8° |
| N3 | C15 | C14 | H20 | 179.5° | 179.9° |
| C13 | C14 | C15 | H20 | 180.0° | 179.9° |
| C13 | C14 | C15 | H19 | 179.5° | 179.9° |
| C15 | C14 | C13 | H21 | 179.6° | 179.9° |
| H1 | C1 | C2 | H2 | 95.2° | 175.0° |
| H1 | C1 | C2 | H3 | 144.4° | 65.0° |
| H1 | C1 | C | H14 | 61.0° | 180.0° |
| H1 | C1 | C | H15 | 179.0° | 60.0° |
| H1 | C1 | C | H16 | 59.0° | 60.0° |
| H1 | C1 | C10 | H17 | 171.4° | 65.0° |
| H1 | C1 | C10 | H18 | 70.1° | 175.0° |
| H2 | C2 | N | H12 | 169.6° | 64.0° |
| H3 | C2 | N | H12 | 70.0° | 176.0° |
| H4 | C3 | N | H12 | 78.2° | 176.0° |
| H5 | C3 | N | H12 | 40.6° | 64.0° |
| H8 | N1 | C10 | H17 | 180.0° | 120.0° |
| H8 | N1 | C10 | H18 | 61.5° | 120.1° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H19 | C15 | C14 | H20 | 0.6° | 0.1° |
| H20 | C14 | C13 | H21 | 0.4° | 0.0° |
