NQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | doub | 1.21Å | 1.27Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | N2 | sing | 1.47Å | 1.48Å | |
| C21 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| O2 | C7 | doub | 1.21Å | 1.24Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C15 | C8 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C8 | C19 | sing | 1.53Å | 1.53Å | |
| C8 | O3 | sing | 1.43Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| O3 | C9 | sing | 1.36Å | 1.39Å | |
| C14 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | 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 | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 121.2° | 120.0° |
| C2 | C1 | N1 | 116.0° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | CL1 | 109.2° | 109.5° |
| O1 | C1 | N1 | 122.7° | 120.0° |
| C1 | N1 | C3 | 122.8° | 120.0° |
| C1 | N1 | H11 | 118.6° | 120.0° |
| C21 | C20 | N2 | 110.4° | 108.8° |
| C20 | C21 | C4 | 110.4° | 109.3° |
| C21 | C20 | H26 | 109.2° | 109.6° |
| C21 | C20 | H27 | 109.2° | 109.6° |
| C20 | C21 | H28 | 109.2° | 109.5° |
| C20 | C21 | H29 | 109.2° | 109.5° |
| C20 | N2 | C6 | 109.6° | 118.8° |
| C20 | N2 | C7 | 120.0° | 120.6° |
| N2 | C20 | H26 | 109.3° | 109.7° |
| N2 | C20 | H27 | 109.2° | 109.6° |
| C21 | C4 | C3 | 113.3° | 109.5° |
| C21 | C4 | C5 | 109.7° | 109.5° |
| C21 | C4 | H6 | 108.2° | 109.5° |
| C4 | C21 | H28 | 109.2° | 109.5° |
| C4 | C21 | H29 | 109.2° | 109.5° |
| N1 | C3 | C4 | 114.6° | 109.5° |
| N1 | C3 | H4 | 108.2° | 109.5° |
| N1 | C3 | H5 | 108.2° | 109.5° |
| C3 | N1 | H11 | 118.6° | 120.0° |
| C3 | C4 | C5 | 109.1° | 109.5° |
| C4 | C3 | H4 | 108.2° | 109.5° |
| C4 | C3 | H5 | 108.2° | 109.5° |
| C3 | C4 | H6 | 108.3° | 109.5° |
| C4 | C5 | C6 | 113.1° | 109.3° |
| C5 | C4 | H6 | 108.2° | 109.5° |
| C4 | C5 | H7 | 108.6° | 109.5° |
| C4 | C5 | H8 | 108.6° | 109.4° |
| C6 | N2 | C7 | 130.4° | 120.6° |
| N2 | C6 | C5 | 110.1° | 108.7° |
| N2 | C6 | H9 | 109.3° | 109.6° |
| N2 | C6 | H10 | 109.3° | 109.7° |
| N2 | C7 | O2 | 119.8° | 120.0° |
| N2 | C7 | C8 | 122.0° | 120.0° |
| O2 | C7 | C8 | 118.2° | 120.0° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C6 | C5 | H8 | 108.6° | 109.5° |
| C5 | C6 | H9 | 109.3° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.6° |
| C7 | C8 | C15 | 106.4° | 109.5° |
| C7 | C8 | C19 | 112.5° | 109.5° |
| C7 | C8 | O3 | 113.6° | 109.5° |
| C8 | C15 | C16 | 111.7° | 109.5° |
| C15 | C8 | C19 | 109.5° | 109.5° |
| C15 | C8 | O3 | 112.0° | 109.4° |
| C8 | C15 | H16 | 108.9° | 109.5° |
| C8 | C15 | H17 | 108.9° | 109.5° |
| C15 | C16 | C17 | 111.1° | 109.5° |
| C16 | C15 | H16 | 108.9° | 109.4° |
| C16 | C15 | H17 | 108.9° | 109.4° |
| C15 | C16 | H18 | 109.1° | 109.4° |
| C15 | C16 | H19 | 109.1° | 109.5° |
| C19 | C8 | O3 | 102.9° | 109.5° |
| C8 | C19 | C18 | 110.4° | 109.5° |
| C8 | C19 | H24 | 109.2° | 109.5° |
| C8 | C19 | H25 | 109.2° | 109.5° |
| C8 | O3 | C9 | 122.9° | 117.0° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C17 | C16 | H18 | 109.1° | 109.5° |
| C17 | C16 | H19 | 109.1° | 109.5° |
| C16 | C17 | H20 | 108.7° | 109.5° |
| C16 | C17 | H21 | 108.7° | 109.5° |
| C19 | C18 | C17 | 111.8° | 109.5° |
| C19 | C18 | H22 | 108.9° | 109.4° |
| C19 | C18 | H23 | 108.9° | 109.5° |
| C18 | C19 | H24 | 109.2° | 109.5° |
| C18 | C19 | H25 | 109.3° | 109.5° |
| C18 | C17 | H20 | 108.7° | 109.5° |
| C18 | C17 | H21 | 108.7° | 109.4° |
| C17 | C18 | H22 | 108.9° | 109.4° |
| C17 | C18 | H23 | 108.9° | 109.5° |
| O3 | C9 | C14 | 126.5° | 120.1° |
| O3 | C9 | C10 | 112.5° | 120.0° |
| C9 | C14 | C13 | 119.6° | 120.0° |
| C14 | C9 | C10 | 120.9° | 119.9° |
| C9 | C14 | H15 | 120.2° | 120.0° |
| C14 | C13 | C12 | 118.2° | 120.1° |
| C14 | C13 | H14 | 120.9° | 120.0° |
| C13 | C14 | H15 | 120.2° | 120.0° |
| C9 | C10 | C11 | 119.9° | 120.0° |
| C9 | C10 | H12 | 120.1° | 120.0° |
| C13 | C12 | C11 | 122.6° | 120.1° |
| C13 | C12 | CL2 | 119.4° | 120.0° |
| C12 | C13 | H14 | 120.9° | 120.0° |
| C10 | C11 | C12 | 118.8° | 120.0° |
| C11 | C10 | H12 | 120.1° | 120.0° |
| C10 | C11 | H13 | 120.6° | 120.0° |
| C11 | C12 | CL2 | 118.0° | 119.9° |
| C12 | C11 | H13 | 120.6° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | CL1 | 109.5° | 109.5° |
| H2 | C2 | CL1 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.6° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H26 | C20 | H27 | 109.5° | 109.7° |
| H28 | C21 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N1 | 177.2° | 179.6° |
| C2 | C1 | N1 | C3 | 177.5° | 179.7° |
| C1 | C2 | H1 | H2 | 120.1° | 120.1° |
| C1 | C2 | H1 | CL1 | 119.7° | 120.0° |
| C1 | C2 | H2 | CL1 | 119.7° | 120.0° |
| C2 | C1 | N1 | H11 | 2.5° | 0.3° |
| O1 | C1 | N1 | C3 | 5.2° | 0.0° |
| O1 | C1 | C2 | H1 | 117.9° | 120.0° |
| O1 | C1 | C2 | H2 | 2.2° | 119.9° |
| O1 | C1 | C2 | CL1 | 122.1° | 0.1° |
| O1 | C1 | N1 | H11 | 174.9° | 180.0° |
| C1 | N1 | C3 | H11 | 180.0° | 180.0° |
| C1 | N1 | C3 | C4 | 103.2° | 174.7° |
| N1 | C1 | C2 | H1 | 59.5° | 60.3° |
| N1 | C1 | C2 | H2 | 179.6° | 59.7° |
| N1 | C1 | C2 | CL1 | 60.5° | 179.7° |
| C1 | N1 | C3 | H4 | 136.1° | 65.2° |
| C1 | N1 | C3 | H5 | 17.6° | 54.8° |
| C21 | C20 | N2 | H26 | 120.1° | 119.8° |
| C21 | C20 | N2 | H27 | 120.2° | 119.7° |
| C20 | C21 | C4 | H28 | 120.2° | 120.0° |
| C20 | C21 | C4 | H29 | 120.1° | 119.9° |
| C20 | C21 | C4 | C3 | 174.5° | 178.6° |
| C20 | C21 | C4 | C5 | 52.3° | 61.4° |
| C21 | C20 | N2 | C6 | 63.3° | 53.6° |
| C21 | C20 | N2 | C7 | 117.5° | 126.5° |
| C20 | C21 | C4 | H6 | 65.5° | 58.7° |
| C21 | C20 | H26 | H27 | 119.6° | 120.3° |
| C20 | C21 | H28 | H29 | 119.5° | 120.1° |
| N2 | C20 | C21 | C4 | 59.5° | 54.6° |
| C20 | N2 | C6 | C7 | 179.1° | 179.9° |
| C20 | N2 | C7 | O2 | 0.1° | 174.3° |
| C20 | N2 | C6 | C5 | 60.3° | 53.7° |
| C20 | N2 | C7 | C8 | 178.6° | 5.8° |
| C20 | N2 | C6 | H9 | 59.8° | 173.4° |
| C20 | N2 | C6 | H10 | 179.6° | 66.2° |
| N2 | C20 | H26 | H27 | 119.6° | 120.4° |
| N2 | C20 | C21 | H28 | 60.7° | 174.6° |
| N2 | C20 | C21 | H29 | 179.6° | 65.4° |
| C21 | C4 | C3 | N1 | 62.7° | 65.5° |
| C21 | C4 | C3 | C5 | 122.5° | 120.0° |
| C21 | C4 | C3 | H6 | 120.0° | 120.0° |
| C21 | C4 | C5 | H6 | 117.8° | 120.0° |
| C21 | C4 | C5 | C6 | 51.1° | 61.4° |
| C21 | C4 | C3 | H4 | 58.0° | 174.4° |
| C21 | C4 | C3 | H5 | 176.6° | 54.4° |
| C21 | C4 | C5 | H7 | 69.5° | 58.6° |
| C21 | C4 | C5 | H8 | 171.6° | 178.6° |
| C4 | C21 | C20 | H26 | 60.7° | 174.5° |
| C4 | C21 | C20 | H27 | 179.6° | 65.1° |
| C4 | C21 | H28 | H29 | 119.6° | 120.1° |
| N1 | C3 | C4 | H4 | 120.7° | 120.0° |
| N1 | C3 | C4 | H5 | 120.7° | 120.0° |
| N1 | C3 | C4 | C5 | 174.8° | 174.4° |
| N1 | C3 | H4 | H5 | 117.7° | 120.0° |
| N1 | C3 | C4 | H6 | 57.3° | 54.5° |
| C3 | C4 | C5 | H6 | 117.5° | 120.0° |
| C3 | C4 | C5 | C6 | 175.7° | 178.6° |
| C4 | C3 | H4 | H5 | 117.7° | 120.0° |
| C3 | C4 | C5 | H7 | 55.2° | 61.4° |
| C3 | C4 | C5 | H8 | 63.7° | 58.6° |
| C4 | C3 | N1 | H11 | 76.9° | 5.3° |
| C3 | C4 | C21 | H28 | 54.3° | 58.7° |
| C3 | C4 | C21 | H29 | 65.4° | 61.4° |
| C4 | C5 | C6 | N2 | 55.3° | 54.7° |
| C4 | C5 | C6 | H7 | 120.5° | 120.0° |
| C4 | C5 | C6 | H8 | 120.5° | 119.9° |
| C5 | C4 | C3 | H4 | 64.5° | 54.4° |
| C5 | C4 | C3 | H5 | 54.1° | 65.6° |
| C4 | C5 | H7 | H8 | 118.3° | 120.0° |
| C4 | C5 | C6 | H9 | 64.8° | 174.4° |
| C4 | C5 | C6 | H10 | 175.5° | 65.3° |
| C5 | C4 | C21 | H28 | 67.8° | 178.7° |
| C5 | C4 | C21 | H29 | 172.4° | 58.6° |
| C6 | N2 | C7 | O2 | 178.9° | 5.6° |
| N2 | C6 | C5 | H9 | 120.1° | 119.7° |
| N2 | C6 | C5 | H10 | 120.1° | 119.9° |
| C6 | N2 | C7 | C8 | 2.4° | 174.3° |
| N2 | C6 | C5 | H7 | 65.2° | 65.3° |
| N2 | C6 | C5 | H8 | 175.9° | 174.6° |
| N2 | C6 | H9 | H10 | 119.7° | 120.5° |
| C6 | N2 | C20 | H26 | 56.8° | 173.4° |
| C6 | N2 | C20 | H27 | 176.5° | 66.1° |
| N2 | C7 | O2 | C8 | 178.8° | 180.0° |
| C7 | N2 | C6 | C5 | 120.6° | 126.4° |
| N2 | C7 | C8 | C15 | 75.0° | 164.6° |
| N2 | C7 | C8 | C19 | 165.2° | 75.3° |
| N2 | C7 | C8 | O3 | 48.8° | 44.6° |
| C7 | N2 | C6 | H9 | 119.3° | 6.7° |
| C7 | N2 | C6 | H10 | 0.5° | 113.7° |
| C7 | N2 | C20 | H26 | 122.4° | 6.7° |
| C7 | N2 | C20 | H27 | 2.7° | 113.8° |
| O2 | C7 | C8 | C15 | 106.3° | 15.3° |
| O2 | C7 | C8 | C19 | 13.6° | 104.7° |
| O2 | C7 | C8 | O3 | 129.9° | 135.3° |
| C6 | C5 | C4 | H6 | 66.7° | 58.6° |
| C6 | C5 | H7 | H8 | 118.4° | 120.1° |
| C5 | C6 | H9 | H10 | 119.7° | 120.3° |
| C7 | C8 | C15 | C19 | 121.8° | 120.0° |
| C7 | C8 | C15 | O3 | 124.7° | 120.0° |
| C7 | C8 | C15 | C16 | 179.8° | 180.0° |
| C7 | C8 | C19 | O3 | 122.7° | 120.0° |
| C7 | C8 | C19 | C18 | 176.3° | 180.0° |
| C7 | C8 | O3 | C9 | 41.4° | 58.3° |
| C7 | C8 | C15 | H16 | 59.8° | 60.0° |
| C7 | C8 | C15 | H17 | 59.5° | 60.0° |
| C7 | C8 | C19 | H24 | 56.2° | 60.0° |
| C7 | C8 | C19 | H25 | 63.5° | 60.0° |
| C8 | C15 | C16 | H16 | 120.4° | 120.0° |
| C8 | C15 | C16 | H17 | 120.3° | 120.0° |
| C15 | C8 | C19 | O3 | 119.3° | 120.0° |
| C8 | C15 | C16 | C17 | 54.6° | 60.0° |
| C15 | C8 | C19 | C18 | 58.2° | 60.0° |
| C15 | C8 | O3 | C9 | 162.0° | 61.7° |
| C8 | C15 | H16 | H17 | 119.0° | 120.0° |
| C8 | C15 | C16 | H18 | 65.6° | 60.0° |
| C8 | C15 | C16 | H19 | 174.9° | 180.0° |
| C15 | C8 | C19 | H24 | 61.9° | 60.0° |
| C15 | C8 | C19 | H25 | 178.4° | 180.0° |
| C16 | C15 | C8 | C19 | 58.0° | 60.0° |
| C16 | C15 | C8 | O3 | 55.4° | 60.0° |
| C15 | C16 | C17 | H18 | 120.2° | 120.0° |
| C15 | C16 | C17 | H19 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 51.9° | 59.9° |
| C16 | C15 | H16 | H17 | 118.9° | 119.9° |
| C15 | C16 | H18 | H19 | 119.3° | 120.0° |
| C15 | C16 | C17 | H20 | 172.4° | 180.0° |
| C15 | C16 | C17 | H21 | 68.6° | 60.0° |
| C8 | C19 | C18 | H24 | 120.1° | 120.0° |
| C8 | C19 | C18 | H25 | 120.1° | 120.0° |
| C8 | C19 | C18 | C17 | 56.4° | 59.9° |
| C19 | C8 | O3 | C9 | 80.5° | 178.3° |
| C19 | C8 | C15 | H16 | 178.4° | 180.0° |
| C19 | C8 | C15 | H17 | 62.3° | 60.0° |
| C8 | C19 | C18 | H22 | 176.7° | 60.0° |
| C8 | C19 | C18 | H23 | 64.0° | 180.0° |
| C8 | C19 | H24 | H25 | 119.5° | 120.0° |
| O3 | C8 | C19 | C18 | 61.0° | 60.0° |
| C8 | O3 | C9 | C14 | 11.8° | 3.0° |
| C8 | O3 | C9 | C10 | 165.6° | 177.2° |
| O3 | C8 | C15 | H16 | 64.9° | 60.0° |
| O3 | C8 | C15 | H17 | 175.8° | 180.0° |
| O3 | C8 | C19 | H24 | 178.9° | 180.0° |
| O3 | C8 | C19 | H25 | 59.2° | 60.0° |
| C16 | C17 | C18 | C19 | 53.3° | 59.9° |
| C16 | C17 | C18 | H20 | 120.5° | 120.1° |
| C16 | C17 | C18 | H21 | 120.5° | 120.0° |
| C17 | C16 | C15 | H16 | 175.0° | 180.0° |
| C17 | C16 | C15 | H17 | 65.7° | 60.1° |
| C17 | C16 | H18 | H19 | 119.3° | 120.0° |
| C16 | C17 | H20 | H21 | 118.6° | 120.0° |
| C16 | C17 | C18 | H22 | 173.6° | 60.0° |
| C16 | C17 | C18 | H23 | 67.1° | 180.0° |
| C19 | C18 | C17 | H22 | 120.3° | 119.9° |
| C19 | C18 | C17 | H23 | 120.4° | 120.1° |
| C19 | C18 | C17 | H20 | 173.8° | 180.0° |
| C19 | C18 | C17 | H21 | 67.2° | 60.0° |
| C19 | C18 | H22 | H23 | 119.0° | 120.0° |
| C18 | C19 | H24 | H25 | 119.6° | 120.0° |
| C18 | C17 | C16 | H18 | 68.3° | 60.0° |
| C18 | C17 | C16 | H19 | 172.1° | 180.0° |
| C18 | C17 | H20 | H21 | 118.5° | 119.9° |
| C17 | C18 | H22 | H23 | 118.9° | 120.0° |
| C17 | C18 | C19 | H24 | 63.8° | 60.1° |
| C17 | C18 | C19 | H25 | 176.5° | 180.0° |
| O3 | C9 | C14 | C10 | 177.2° | 179.8° |
| O3 | C9 | C14 | C13 | 177.5° | 179.8° |
| O3 | C9 | C10 | C11 | 177.8° | 180.0° |
| O3 | C9 | C10 | H12 | 2.2° | 0.0° |
| O3 | C9 | C14 | H15 | 2.5° | 0.0° |
| C9 | C14 | C13 | H15 | 180.0° | 179.8° |
| C9 | C14 | C13 | C12 | 0.6° | 0.5° |
| C14 | C9 | C10 | C11 | 0.2° | 0.2° |
| C14 | C9 | C10 | H12 | 179.8° | 179.7° |
| C9 | C14 | C13 | H14 | 179.4° | 179.8° |
| C13 | C14 | C9 | C10 | 0.3° | 0.4° |
| C14 | C13 | C12 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.9° | 0.2° |
| C14 | C13 | C12 | CL2 | 177.3° | 179.8° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C9 | C10 | C11 | H13 | 179.5° | 180.0° |
| C10 | C9 | C14 | H15 | 179.7° | 179.8° |
| C13 | C12 | C11 | C10 | 0.9° | 0.0° |
| C13 | C12 | C11 | CL2 | 178.2° | 180.0° |
| C13 | C12 | C11 | H13 | 179.1° | 180.0° |
| C12 | C13 | C14 | H15 | 179.4° | 179.8° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | CL2 | 177.4° | 180.0° |
| C12 | C11 | C10 | H12 | 179.5° | 180.0° |
| C11 | C12 | C13 | H14 | 179.1° | 180.0° |
| CL2 | C12 | C11 | H13 | 2.7° | 0.0° |
| CL2 | C12 | C13 | H14 | 2.7° | 0.0° |
| H1 | C2 | H2 | CL1 | 120.1° | 120.0° |
| H4 | C3 | C4 | H6 | 178.0° | 65.6° |
| H4 | C3 | N1 | H11 | 43.9° | 114.8° |
| H5 | C3 | C4 | H6 | 63.4° | 174.4° |
| H5 | C3 | N1 | H11 | 162.4° | 125.3° |
| H6 | C4 | C5 | H7 | 172.8° | 178.6° |
| H6 | C4 | C5 | H8 | 53.8° | 61.3° |
| H6 | C4 | C21 | H28 | 174.4° | 61.3° |
| H6 | C4 | C21 | H29 | 54.6° | 178.6° |
| H7 | C5 | C6 | H9 | 174.7° | 54.5° |
| H7 | C5 | C6 | H10 | 54.9° | 174.8° |
| H8 | C5 | C6 | H9 | 55.8° | 65.7° |
| H8 | C5 | C6 | H10 | 64.0° | 54.6° |
| H12 | C10 | C11 | H13 | 0.5° | 0.0° |
| H14 | C13 | C14 | H15 | 0.6° | 0.0° |
| H16 | C15 | C16 | H18 | 54.8° | 60.0° |
| H16 | C15 | C16 | H19 | 64.7° | 60.0° |
| H17 | C15 | C16 | H18 | 174.1° | 180.0° |
| H17 | C15 | C16 | H19 | 54.6° | 59.9° |
| H18 | C16 | C17 | H20 | 52.1° | 60.0° |
| H18 | C16 | C17 | H21 | 171.2° | 180.0° |
| H19 | C16 | C17 | H20 | 67.4° | 59.9° |
| H19 | C16 | C17 | H21 | 51.7° | 60.0° |
| H20 | C17 | C18 | H22 | 65.9° | 60.1° |
| H20 | C17 | C18 | H23 | 53.4° | 59.9° |
| H21 | C17 | C18 | H22 | 53.1° | 180.0° |
| H21 | C17 | C18 | H23 | 172.4° | 60.0° |
| H22 | C18 | C19 | H24 | 56.6° | 180.0° |
| H22 | C18 | C19 | H25 | 63.2° | 60.0° |
| H23 | C18 | C19 | H24 | 175.9° | 60.0° |
| H23 | C18 | C19 | H25 | 56.1° | 60.0° |
| H26 | C20 | C21 | H28 | 179.1° | 65.6° |
| H26 | C20 | C21 | H29 | 59.4° | 54.5° |
| H27 | C20 | C21 | H28 | 59.5° | 54.8° |
| H27 | C20 | C21 | H29 | 60.3° | 174.9° |
