NR6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| O1 | C1 | doub | 1.21Å | 1.27Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C18 | sing | 1.53Å | 1.53Å | |
| N2 | C17 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| O2 | C7 | doub | 1.21Å | 1.24Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C16 | C8 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C8 | C15 | sing | 1.53Å | 1.50Å | |
| C8 | O3 | sing | 1.43Å | 1.41Å | |
| O3 | C9 | sing | 1.36Å | 1.38Å | |
| C14 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | CL2 | sing | 1.74Å | 1.72Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | CL1 | sing | 1.80Å | 1.07Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 119.3° | 120.0° |
| C2 | C1 | N1 | 117.5° | 120.0° |
| C1 | C2 | H1 | 109.6° | 109.4° |
| C1 | C2 | H2 | 109.6° | 109.4° |
| C1 | C2 | CL1 | 109.2° | 109.5° |
| C5 | C6 | N2 | 111.4° | 108.8° |
| C6 | C5 | C4 | 112.3° | 109.3° |
| C6 | C5 | H8 | 108.7° | 109.5° |
| C6 | C5 | H9 | 108.8° | 109.6° |
| C5 | C6 | H10 | 109.0° | 109.6° |
| C5 | C6 | H11 | 109.0° | 109.6° |
| C6 | N2 | C17 | 111.7° | 118.7° |
| C6 | N2 | C7 | 119.1° | 120.6° |
| N2 | C6 | H10 | 109.0° | 109.6° |
| N2 | C6 | H11 | 109.0° | 109.6° |
| O1 | C1 | N1 | 123.2° | 120.0° |
| C1 | N1 | C3 | 123.3° | 120.0° |
| C1 | N1 | H4 | 118.3° | 120.0° |
| C5 | C4 | C3 | 112.3° | 109.4° |
| C5 | C4 | C18 | 112.1° | 109.5° |
| C5 | C4 | H7 | 107.8° | 109.5° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| C4 | C5 | H9 | 108.8° | 109.5° |
| N1 | C3 | C4 | 118.1° | 109.5° |
| C3 | N1 | H4 | 118.3° | 120.0° |
| N1 | C3 | H5 | 107.3° | 109.5° |
| N1 | C3 | H6 | 107.3° | 109.5° |
| C3 | C4 | C18 | 108.7° | 109.4° |
| C4 | C3 | H5 | 107.2° | 109.5° |
| C4 | C3 | H6 | 107.3° | 109.4° |
| C3 | C4 | H7 | 107.8° | 109.5° |
| C4 | C18 | C17 | 113.6° | 109.3° |
| C18 | C4 | H7 | 107.9° | 109.5° |
| C4 | C18 | H22 | 108.4° | 109.5° |
| C4 | C18 | H23 | 108.4° | 109.5° |
| C17 | N2 | C7 | 129.1° | 120.6° |
| N2 | C17 | C18 | 110.1° | 108.8° |
| N2 | C17 | H20 | 109.3° | 109.6° |
| N2 | C17 | H21 | 109.3° | 109.6° |
| N2 | C7 | O2 | 121.6° | 120.0° |
| N2 | C7 | C8 | 119.5° | 120.0° |
| O2 | C7 | C8 | 118.8° | 120.0° |
| C18 | C17 | H20 | 109.3° | 109.6° |
| C18 | C17 | H21 | 109.3° | 109.6° |
| C17 | C18 | H22 | 108.5° | 109.5° |
| C17 | C18 | H23 | 108.4° | 109.5° |
| C7 | C8 | C16 | 121.3° | 117.5° |
| C7 | C8 | C15 | 117.5° | 117.5° |
| C7 | C8 | O3 | 116.6° | 115.5° |
| C8 | C16 | C15 | 59.7° | 60.0° |
| C16 | C8 | C15 | 59.4° | 60.0° |
| C16 | C8 | O3 | 114.0° | 117.5° |
| C8 | C16 | H18 | 120.1° | 117.5° |
| C8 | C16 | H19 | 120.0° | 117.5° |
| C16 | C15 | C8 | 61.0° | 60.0° |
| C16 | C15 | H16 | 119.8° | 117.5° |
| C16 | C15 | H17 | 119.8° | 117.6° |
| C15 | C16 | H18 | 120.1° | 117.5° |
| C15 | C16 | H19 | 120.0° | 117.5° |
| C15 | C8 | O3 | 115.8° | 117.5° |
| C8 | C15 | H16 | 119.8° | 117.5° |
| C8 | C15 | H17 | 119.8° | 117.5° |
| C8 | O3 | C9 | 120.2° | 117.0° |
| O3 | C9 | C14 | 128.9° | 120.0° |
| O3 | C9 | C10 | 110.1° | 120.0° |
| C9 | C14 | C13 | 119.2° | 119.9° |
| C14 | C9 | C10 | 121.0° | 120.0° |
| C9 | C14 | H15 | 120.4° | 120.1° |
| C14 | C13 | C12 | 118.5° | 120.0° |
| C14 | C13 | H14 | 120.7° | 119.9° |
| C13 | C14 | H15 | 120.4° | 120.0° |
| C9 | C10 | C11 | 120.1° | 119.9° |
| C9 | C10 | H12 | 120.0° | 120.1° |
| C13 | C12 | C11 | 123.0° | 120.1° |
| C13 | C12 | CL2 | 119.0° | 119.9° |
| C12 | C13 | H14 | 120.7° | 120.0° |
| C10 | C11 | C12 | 118.2° | 120.0° |
| C11 | C10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H13 | 120.9° | 120.0° |
| C11 | C12 | CL2 | 118.1° | 120.0° |
| C12 | C11 | H13 | 120.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | CL1 | 109.5° | 109.5° |
| H2 | C2 | CL1 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.7° |
| H16 | C15 | H17 | 109.5° | 115.5° |
| H18 | C16 | H19 | 109.5° | 115.5° |
| H20 | C17 | H21 | 109.5° | 109.6° |
| H22 | C18 | H23 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N1 | 177.6° | 179.7° |
| C2 | C1 | N1 | C3 | 177.5° | 179.7° |
| C1 | C2 | H1 | H2 | 120.1° | 119.9° |
| C1 | C2 | H1 | CL1 | 119.8° | 120.0° |
| C1 | C2 | H2 | CL1 | 119.8° | 120.0° |
| C2 | C1 | N1 | H4 | 2.5° | 0.3° |
| C5 | C6 | N2 | H10 | 120.3° | 119.8° |
| C5 | C6 | N2 | H11 | 120.3° | 119.8° |
| C6 | C5 | C4 | H8 | 120.4° | 120.0° |
| C6 | C5 | C4 | H9 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 168.2° | 178.6° |
| C6 | C5 | C4 | C18 | 45.4° | 61.4° |
| C5 | C6 | N2 | C17 | 60.8° | 53.6° |
| C5 | C6 | N2 | C7 | 121.3° | 126.4° |
| C6 | C5 | C4 | H7 | 73.2° | 58.6° |
| C6 | C5 | H8 | H9 | 118.7° | 120.1° |
| C5 | C6 | H10 | H11 | 119.1° | 120.4° |
| N2 | C6 | C5 | C4 | 52.7° | 54.7° |
| C6 | N2 | C17 | C7 | 177.7° | 180.0° |
| C6 | N2 | C7 | O2 | 11.1° | 4.8° |
| C6 | N2 | C17 | C18 | 60.2° | 53.6° |
| C6 | N2 | C7 | C8 | 166.3° | 175.1° |
| N2 | C6 | C5 | H8 | 67.7° | 174.6° |
| N2 | C6 | C5 | H9 | 173.2° | 65.3° |
| N2 | C6 | H10 | H11 | 119.1° | 120.3° |
| C6 | N2 | C17 | H20 | 59.9° | 66.2° |
| C6 | N2 | C17 | H21 | 179.8° | 173.4° |
| O1 | C1 | N1 | C3 | 4.9° | 0.0° |
| O1 | C1 | C2 | H1 | 118.3° | 120.0° |
| O1 | C1 | C2 | H2 | 1.8° | 120.0° |
| O1 | C1 | C2 | CL1 | 121.7° | 0.0° |
| O1 | C1 | N1 | H4 | 175.1° | 180.0° |
| C1 | N1 | C3 | H4 | 180.0° | 180.0° |
| C1 | N1 | C3 | C4 | 81.8° | 180.0° |
| N1 | C1 | C2 | H1 | 59.5° | 59.7° |
| N1 | C1 | C2 | H2 | 179.5° | 60.3° |
| N1 | C1 | C2 | CL1 | 60.5° | 179.7° |
| C1 | N1 | C3 | H5 | 157.0° | 60.0° |
| C1 | N1 | C3 | H6 | 39.5° | 60.1° |
| C5 | C4 | C3 | N1 | 77.7° | 65.0° |
| C5 | C4 | C3 | C18 | 124.7° | 120.0° |
| C5 | C4 | C3 | H7 | 118.6° | 120.0° |
| C5 | C4 | C18 | H7 | 118.5° | 120.0° |
| C5 | C4 | C18 | C17 | 46.2° | 61.4° |
| C5 | C4 | C3 | H5 | 43.5° | 55.0° |
| C5 | C4 | C3 | H6 | 161.0° | 175.1° |
| C4 | C5 | H8 | H9 | 118.7° | 120.0° |
| C4 | C5 | C6 | H10 | 67.6° | 65.1° |
| C4 | C5 | C6 | H11 | 173.0° | 174.4° |
| C5 | C4 | C18 | H22 | 74.5° | 58.5° |
| C5 | C4 | C18 | H23 | 166.8° | 178.7° |
| N1 | C3 | C4 | H5 | 121.2° | 120.0° |
| N1 | C3 | C4 | H6 | 121.3° | 119.9° |
| N1 | C3 | C4 | C18 | 157.6° | 175.0° |
| N1 | C3 | H5 | H6 | 116.1° | 120.0° |
| N1 | C3 | C4 | H7 | 40.9° | 55.0° |
| C3 | C4 | C18 | H7 | 116.6° | 120.0° |
| C3 | C4 | C18 | C17 | 171.0° | 178.6° |
| C4 | C3 | N1 | H4 | 98.2° | 0.0° |
| C4 | C3 | H5 | H6 | 116.1° | 120.0° |
| C3 | C4 | C5 | H8 | 47.8° | 58.7° |
| C3 | C4 | C5 | H9 | 71.4° | 61.3° |
| C3 | C4 | C18 | H22 | 50.4° | 61.4° |
| C3 | C4 | C18 | H23 | 68.4° | 58.7° |
| C4 | C18 | C17 | N2 | 53.0° | 54.7° |
| C4 | C18 | C17 | H22 | 120.6° | 120.0° |
| C4 | C18 | C17 | H23 | 120.6° | 119.9° |
| C18 | C4 | C3 | H5 | 81.2° | 65.0° |
| C18 | C4 | C3 | H6 | 36.3° | 55.1° |
| C18 | C4 | C5 | H8 | 75.0° | 178.6° |
| C18 | C4 | C5 | H9 | 165.9° | 58.6° |
| C4 | C18 | C17 | H20 | 67.1° | 65.2° |
| C4 | C18 | C17 | H21 | 173.0° | 174.5° |
| C4 | C18 | H22 | H23 | 118.1° | 120.1° |
| C17 | N2 | C7 | O2 | 166.4° | 175.2° |
| N2 | C17 | C18 | H20 | 120.1° | 119.8° |
| N2 | C17 | C18 | H21 | 120.1° | 119.8° |
| C17 | N2 | C7 | C8 | 16.2° | 4.8° |
| C17 | N2 | C6 | H10 | 59.5° | 66.2° |
| C17 | N2 | C6 | H11 | 178.9° | 173.4° |
| N2 | C17 | H20 | H21 | 119.7° | 120.4° |
| N2 | C17 | C18 | H22 | 67.7° | 65.3° |
| N2 | C17 | C18 | H23 | 173.6° | 174.6° |
| N2 | C7 | O2 | C8 | 177.4° | 180.0° |
| C7 | N2 | C17 | C18 | 122.2° | 126.4° |
| N2 | C7 | C8 | C16 | 101.6° | 153.5° |
| N2 | C7 | C8 | C15 | 170.8° | 84.8° |
| N2 | C7 | C8 | O3 | 45.2° | 60.9° |
| C7 | N2 | C6 | H10 | 118.4° | 113.8° |
| C7 | N2 | C6 | H11 | 1.0° | 6.6° |
| C7 | N2 | C17 | H20 | 117.7° | 113.8° |
| C7 | N2 | C17 | H21 | 2.1° | 6.5° |
| O2 | C7 | C8 | C16 | 80.9° | 26.5° |
| O2 | C7 | C8 | C15 | 11.8° | 95.1° |
| O2 | C7 | C8 | O3 | 132.2° | 119.2° |
| C17 | C18 | C4 | H7 | 72.4° | 58.6° |
| C18 | C17 | H20 | H21 | 119.7° | 120.3° |
| C17 | C18 | H22 | H23 | 118.1° | 120.1° |
| C7 | C8 | C16 | C15 | 105.5° | 107.5° |
| C7 | C8 | C16 | O3 | 147.7° | 145.0° |
| C7 | C8 | C15 | O3 | 144.3° | 145.0° |
| C7 | C8 | O3 | C9 | 49.7° | 64.8° |
| C7 | C8 | C15 | H16 | 138.4° | 0.0° |
| C7 | C8 | C15 | H17 | 2.1° | 144.9° |
| C7 | C8 | C16 | H18 | 145.1° | 145.0° |
| C7 | C8 | C16 | H19 | 3.8° | 0.0° |
| C8 | C16 | C15 | H18 | 109.4° | 107.5° |
| C8 | C16 | C15 | H19 | 109.4° | 107.5° |
| C16 | C8 | C15 | O3 | 103.9° | 107.5° |
| C16 | C8 | O3 | C9 | 161.0° | 80.8° |
| C8 | C16 | C15 | H16 | 109.7° | 107.4° |
| C8 | C16 | C15 | H17 | 109.8° | 107.5° |
| C8 | C16 | H18 | H19 | 144.9° | 145.7° |
| C16 | C15 | H16 | H17 | 144.2° | 145.8° |
| C15 | C16 | H18 | H19 | 144.9° | 145.7° |
| C15 | C8 | O3 | C9 | 94.9° | 149.4° |
| C8 | C15 | H16 | H17 | 144.2° | 145.6° |
| C8 | O3 | C9 | C14 | 8.2° | 5.4° |
| C8 | O3 | C9 | C10 | 170.4° | 174.3° |
| O3 | C8 | C15 | H16 | 5.9° | 145.0° |
| O3 | C8 | C15 | H17 | 146.4° | 0.1° |
| O3 | C8 | C16 | H18 | 2.5° | 0.0° |
| O3 | C8 | C16 | H19 | 143.8° | 145.0° |
| O3 | C9 | C14 | C10 | 178.5° | 179.7° |
| O3 | C9 | C14 | C13 | 178.9° | 179.8° |
| O3 | C9 | C10 | C11 | 179.5° | 180.0° |
| O3 | C9 | C10 | H12 | 0.5° | 0.1° |
| O3 | C9 | C14 | H15 | 1.2° | 0.1° |
| C9 | C14 | C13 | H15 | 180.0° | 179.7° |
| C9 | C14 | C13 | C12 | 0.6° | 0.5° |
| C14 | C9 | C10 | C11 | 0.7° | 0.3° |
| C14 | C9 | C10 | H12 | 179.2° | 179.8° |
| C9 | C14 | C13 | H14 | 179.4° | 179.7° |
| C13 | C14 | C9 | C10 | 0.3° | 0.5° |
| C14 | C13 | C12 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 1.3° | 0.2° |
| C14 | C13 | C12 | CL2 | 179.8° | 179.8° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.4° | 0.0° |
| C9 | C10 | C11 | H13 | 178.6° | 180.0° |
| C10 | C9 | C14 | H15 | 179.7° | 179.8° |
| C13 | C12 | C11 | C10 | 1.7° | 0.0° |
| C13 | C12 | C11 | CL2 | 178.5° | 180.0° |
| C13 | C12 | C11 | H13 | 178.3° | 180.0° |
| C12 | C13 | C14 | H15 | 179.4° | 179.8° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | CL2 | 179.8° | 180.0° |
| C12 | C11 | C10 | H12 | 178.6° | 180.0° |
| C11 | C12 | C13 | H14 | 178.7° | 180.0° |
| CL2 | C12 | C11 | H13 | 0.2° | 0.0° |
| CL2 | C12 | C13 | H14 | 0.2° | 0.1° |
| H1 | C2 | H2 | CL1 | 120.1° | 120.1° |
| H4 | N1 | C3 | H5 | 23.0° | 120.0° |
| H4 | N1 | C3 | H6 | 140.5° | 119.9° |
| H5 | C3 | C4 | H7 | 162.2° | 175.0° |
| H6 | C3 | C4 | H7 | 80.3° | 64.9° |
| H7 | C4 | C5 | H8 | 166.4° | 61.3° |
| H7 | C4 | C5 | H9 | 47.3° | 178.7° |
| H7 | C4 | C18 | H22 | 167.0° | 178.6° |
| H7 | C4 | C18 | H23 | 48.2° | 61.2° |
| H8 | C5 | C6 | H10 | 172.0° | 54.8° |
| H8 | C5 | C6 | H11 | 52.6° | 65.7° |
| H9 | C5 | C6 | H10 | 52.9° | 174.9° |
| H9 | C5 | C6 | H11 | 66.5° | 54.4° |
| H12 | C10 | C11 | H13 | 1.4° | 0.1° |
| H14 | C13 | C14 | H15 | 0.6° | 0.0° |
| H16 | C15 | C16 | H18 | 0.3° | 145.0° |
| H16 | C15 | C16 | H19 | 140.9° | 0.0° |
| H17 | C15 | C16 | H18 | 140.8° | 0.0° |
| H17 | C15 | C16 | H19 | 0.4° | 145.0° |
| H20 | C17 | C18 | H22 | 172.2° | 174.8° |
| H20 | C17 | C18 | H23 | 53.5° | 54.7° |
| H21 | C17 | C18 | H22 | 52.4° | 54.5° |
| H21 | C17 | C18 | H23 | 66.4° | 65.6° |
