RXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| N3 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.50Å | 1.51Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N2 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.55Å | 1.53Å | |
| C14 | N2 | sing | 1.40Å | 1.44Å | |
| N2 | C13 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.54Å | 1.55Å | |
| C13 | C10 | sing | 1.51Å | 1.53Å | |
| C13 | O1 | doub | 1.21Å | 1.22Å | |
| C10 | C23 | sing | 1.52Å | 1.55Å | |
| C10 | C9 | sing | 1.50Å | 1.53Å | |
| C23 | N1 | sing | 1.47Å | 1.46Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C | N | sing | 1.47Å | 1.45Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| CL | C7 | sing | 1.74Å | 1.75Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| N | H25 | sing | 0.97Å | 1.00Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 113.6° | 110.5° |
| C18 | C17 | C16 | 120.7° | 118.5° |
| C18 | C17 | C22 | 121.4° | 122.5° |
| C17 | C18 | H12 | 108.5° | 109.3° |
| C17 | C18 | H13 | 108.4° | 109.4° |
| C18 | C19 | C20 | 110.8° | 108.5° |
| C18 | C19 | H10 | 109.1° | 109.6° |
| C18 | C19 | H11 | 109.1° | 109.8° |
| C19 | C18 | H12 | 108.4° | 109.3° |
| C19 | C18 | H13 | 108.5° | 109.3° |
| C17 | C16 | N3 | 124.7° | 121.1° |
| C16 | C17 | C22 | 117.9° | 119.0° |
| C17 | C16 | H14 | 117.7° | 119.4° |
| C16 | N3 | C15 | 117.3° | 121.7° |
| N3 | C16 | H14 | 117.6° | 119.4° |
| C17 | C22 | C14 | 117.9° | 118.5° |
| C17 | C22 | C21 | 121.2° | 122.9° |
| N3 | C15 | C14 | 123.1° | 120.5° |
| N3 | C15 | H5 | 118.5° | 119.8° |
| C19 | C20 | C21 | 111.0° | 108.5° |
| C19 | C20 | H6 | 109.1° | 109.6° |
| C19 | C20 | H7 | 109.1° | 109.8° |
| C20 | C19 | H10 | 109.1° | 109.6° |
| C20 | C19 | H11 | 109.2° | 109.7° |
| C20 | C21 | C22 | 113.3° | 110.4° |
| C21 | C20 | H6 | 109.1° | 109.6° |
| C21 | C20 | H7 | 109.1° | 109.7° |
| C20 | C21 | H8 | 108.5° | 109.3° |
| C20 | C21 | H9 | 108.5° | 109.3° |
| C14 | C22 | C21 | 120.7° | 118.6° |
| C22 | C14 | C15 | 119.1° | 119.2° |
| C22 | C14 | N2 | 122.6° | 120.5° |
| C22 | C21 | H8 | 108.5° | 109.3° |
| C22 | C21 | H9 | 108.5° | 109.1° |
| C15 | C14 | N2 | 118.3° | 120.4° |
| C14 | C15 | H5 | 118.4° | 119.8° |
| N2 | C12 | C11 | 103.7° | 105.5° |
| C12 | N2 | C14 | 121.8° | 124.4° |
| C12 | N2 | C13 | 112.8° | 111.3° |
| N2 | C12 | H15 | 110.9° | 110.2° |
| N2 | C12 | H16 | 110.9° | 110.2° |
| C12 | C11 | C10 | 103.9° | 101.6° |
| C11 | C12 | H15 | 110.9° | 110.3° |
| C11 | C12 | H16 | 110.9° | 110.2° |
| C12 | C11 | H17 | 110.8° | 111.0° |
| C12 | C11 | H18 | 110.8° | 111.0° |
| C14 | N2 | C13 | 125.3° | 124.4° |
| N2 | C13 | C10 | 108.3° | 110.0° |
| N2 | C13 | O1 | 125.6° | 125.0° |
| C11 | C10 | C13 | 102.2° | 104.7° |
| C11 | C10 | C23 | 112.1° | 110.0° |
| C11 | C10 | C9 | 113.8° | 109.9° |
| C10 | C11 | H17 | 110.9° | 111.0° |
| C10 | C11 | H18 | 110.8° | 111.0° |
| C10 | C13 | O1 | 126.1° | 125.0° |
| C13 | C10 | C23 | 105.8° | 110.6° |
| C13 | C10 | C9 | 111.2° | 110.5° |
| C23 | C10 | C9 | 111.2° | 111.0° |
| C10 | C23 | N1 | 109.9° | 108.6° |
| C10 | C23 | H21 | 109.4° | 109.7° |
| C10 | C23 | H22 | 109.4° | 109.7° |
| C10 | C9 | C8 | 120.3° | 118.8° |
| C10 | C9 | C4 | 119.5° | 121.4° |
| C23 | N1 | C2 | 114.9° | 111.0° |
| C23 | N1 | C3 | 110.3° | 110.4° |
| N1 | C23 | H21 | 109.3° | 109.6° |
| N1 | C23 | H22 | 109.4° | 109.6° |
| O | C1 | C2 | 121.0° | 120.0° |
| O | C1 | N | 122.2° | 120.0° |
| C2 | C1 | N | 116.7° | 120.0° |
| C1 | C2 | N1 | 114.9° | 109.5° |
| C1 | C2 | H23 | 108.1° | 109.5° |
| C1 | C2 | H24 | 108.1° | 109.4° |
| C1 | N | C | 122.3° | 120.0° |
| C1 | N | H25 | 118.9° | 120.0° |
| C | N | H25 | 118.9° | 120.0° |
| N | C | H26 | 109.5° | 109.4° |
| N | C | H27 | 109.5° | 109.4° |
| N | C | H28 | 109.5° | 109.4° |
| C9 | C8 | C7 | 119.3° | 120.4° |
| C8 | C9 | C4 | 119.8° | 119.8° |
| C9 | C8 | H4 | 120.3° | 119.9° |
| C8 | C7 | CL | 118.9° | 120.1° |
| C8 | C7 | C6 | 121.7° | 119.8° |
| C7 | C8 | H4 | 120.3° | 119.8° |
| C9 | C4 | C3 | 121.3° | 121.7° |
| C9 | C4 | C5 | 119.0° | 119.8° |
| C2 | N1 | C3 | 112.7° | 111.0° |
| N1 | C2 | H23 | 108.1° | 109.5° |
| N1 | C2 | H24 | 108.1° | 109.5° |
| N1 | C3 | C4 | 112.5° | 110.7° |
| N1 | C3 | H19 | 108.7° | 109.2° |
| N1 | C3 | H20 | 108.7° | 109.2° |
| CL | C7 | C6 | 119.4° | 120.1° |
| C7 | C6 | C5 | 119.0° | 119.9° |
| C7 | C6 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | 119.6° | 118.6° |
| C4 | C3 | H19 | 108.7° | 109.2° |
| C4 | C3 | H20 | 108.7° | 109.2° |
| C4 | C5 | C6 | 121.0° | 120.4° |
| C4 | C5 | H2 | 119.5° | 119.8° |
| C6 | C5 | H2 | 119.5° | 119.8° |
| C5 | C6 | H3 | 120.5° | 120.1° |
| H6 | C20 | H7 | 109.5° | 109.6° |
| H8 | C21 | H9 | 109.5° | 109.3° |
| H10 | C19 | H11 | 109.5° | 109.6° |
| H12 | C18 | H13 | 109.5° | 109.1° |
| H15 | C12 | H16 | 109.5° | 110.3° |
| H17 | C11 | H18 | 109.5° | 110.9° |
| H19 | C3 | H20 | 109.5° | 109.2° |
| H21 | C23 | H22 | 109.5° | 109.8° |
| H23 | C2 | H24 | 109.5° | 109.5° |
| H26 | C | H27 | 109.5° | 109.5° |
| H26 | C | H28 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H12 | 120.6° | 120.3° |
| C17 | C18 | C19 | H13 | 120.6° | 120.4° |
| C18 | C17 | C16 | C22 | 179.8° | 179.9° |
| C18 | C17 | C16 | N3 | 179.6° | 179.7° |
| C17 | C18 | C19 | C20 | 47.1° | 51.0° |
| C18 | C17 | C22 | C14 | 178.5° | 179.6° |
| C18 | C17 | C22 | C21 | 5.4° | 0.7° |
| C17 | C18 | C19 | H10 | 73.1° | 68.6° |
| C17 | C18 | C19 | H11 | 167.3° | 170.9° |
| C17 | C18 | H12 | H13 | 118.1° | 119.5° |
| C18 | C17 | C16 | H14 | 0.4° | 0.3° |
| C19 | C18 | C17 | C16 | 160.5° | 162.4° |
| C19 | C18 | C17 | C22 | 19.7° | 17.7° |
| C18 | C19 | C20 | H10 | 120.2° | 119.6° |
| C18 | C19 | C20 | H11 | 120.2° | 120.0° |
| C18 | C19 | C20 | C21 | 61.4° | 69.8° |
| C18 | C19 | C20 | H6 | 178.3° | 170.6° |
| C18 | C19 | C20 | H7 | 58.8° | 50.1° |
| C18 | C19 | H10 | H11 | 119.4° | 120.6° |
| C19 | C18 | H12 | H13 | 118.2° | 119.4° |
| C17 | C16 | N3 | H14 | 180.0° | 180.0° |
| C17 | C16 | N3 | C15 | 1.1° | 0.0° |
| C16 | C17 | C22 | C14 | 1.3° | 0.3° |
| C16 | C17 | C22 | C21 | 174.8° | 179.4° |
| C16 | C17 | C18 | H12 | 39.9° | 77.4° |
| C16 | C17 | C18 | H13 | 78.9° | 42.0° |
| N3 | C16 | C17 | C22 | 0.2° | 0.2° |
| C16 | N3 | C15 | C14 | 1.2° | 0.1° |
| C16 | N3 | C15 | H5 | 178.8° | 179.9° |
| C17 | C22 | C21 | C20 | 18.8° | 17.6° |
| C17 | C22 | C14 | C21 | 176.2° | 179.8° |
| C17 | C22 | C14 | C15 | 1.3° | 0.2° |
| C17 | C22 | C14 | N2 | 179.7° | 179.8° |
| C17 | C22 | C21 | H8 | 101.8° | 137.9° |
| C17 | C22 | C21 | H9 | 139.4° | 102.6° |
| C22 | C17 | C18 | H12 | 140.3° | 102.6° |
| C22 | C17 | C18 | H13 | 100.9° | 138.0° |
| C22 | C17 | C16 | H14 | 179.8° | 179.8° |
| N3 | C15 | C14 | C22 | 0.0° | 0.0° |
| N3 | C15 | C14 | H5 | 180.0° | 180.0° |
| N3 | C15 | C14 | N2 | 179.1° | 179.9° |
| C15 | N3 | C16 | H14 | 178.9° | 180.0° |
| C19 | C20 | C21 | H6 | 120.2° | 119.7° |
| C19 | C20 | C21 | H7 | 120.2° | 119.9° |
| C19 | C20 | C21 | C22 | 46.3° | 50.9° |
| C19 | C20 | H6 | H7 | 119.3° | 120.6° |
| C19 | C20 | C21 | H8 | 74.3° | 171.1° |
| C19 | C20 | C21 | H9 | 166.8° | 69.2° |
| C20 | C19 | H10 | H11 | 119.4° | 120.4° |
| C20 | C19 | C18 | H12 | 167.7° | 69.3° |
| C20 | C19 | C18 | H13 | 73.5° | 171.4° |
| C20 | C21 | C22 | C14 | 165.1° | 162.6° |
| C20 | C21 | C22 | H8 | 120.6° | 120.3° |
| C20 | C21 | C22 | H9 | 120.6° | 120.2° |
| C21 | C20 | H6 | H7 | 119.3° | 120.4° |
| C20 | C21 | H8 | H9 | 118.3° | 119.6° |
| C21 | C20 | C19 | H10 | 58.8° | 49.9° |
| C21 | C20 | C19 | H11 | 178.4° | 170.3° |
| C22 | C14 | C15 | N2 | 179.1° | 179.9° |
| C22 | C14 | N2 | C12 | 97.2° | 89.9° |
| C22 | C14 | N2 | C13 | 86.2° | 90.1° |
| C22 | C14 | C15 | H5 | 180.0° | 179.9° |
| C14 | C22 | C21 | H8 | 74.3° | 42.3° |
| C14 | C22 | C21 | H9 | 44.6° | 77.2° |
| C21 | C22 | C14 | C15 | 174.9° | 179.5° |
| C21 | C22 | C14 | N2 | 4.1° | 0.4° |
| C22 | C21 | C20 | H6 | 166.5° | 170.5° |
| C22 | C21 | C20 | H7 | 74.0° | 69.1° |
| C22 | C21 | H8 | H9 | 118.2° | 119.4° |
| C15 | C14 | N2 | C12 | 83.8° | 90.0° |
| C15 | C14 | N2 | C13 | 92.8° | 90.0° |
| N2 | C12 | C11 | H15 | 119.1° | 119.0° |
| N2 | C12 | C11 | H16 | 119.1° | 119.0° |
| C12 | N2 | C14 | C13 | 176.6° | 180.0° |
| N2 | C12 | C11 | C10 | 26.7° | 25.0° |
| C12 | N2 | C13 | C10 | 5.6° | 0.7° |
| C12 | N2 | C13 | O1 | 173.9° | 179.3° |
| N2 | C12 | H15 | H16 | 122.7° | 121.9° |
| N2 | C12 | C11 | H17 | 145.8° | 143.1° |
| N2 | C12 | C11 | H18 | 92.4° | 93.1° |
| C11 | C12 | N2 | C14 | 163.3° | 163.1° |
| C11 | C12 | N2 | C13 | 13.7° | 16.9° |
| C12 | C11 | C10 | H17 | 119.1° | 118.1° |
| C12 | C11 | C10 | H18 | 119.1° | 118.0° |
| C12 | C11 | C10 | C13 | 29.5° | 24.3° |
| C12 | C11 | C10 | C23 | 83.3° | 143.2° |
| C12 | C11 | C10 | C9 | 149.5° | 94.4° |
| C11 | C12 | H15 | H16 | 122.7° | 121.9° |
| C12 | C11 | H17 | H18 | 122.6° | 123.8° |
| C14 | N2 | C13 | C10 | 177.5° | 179.3° |
| C14 | N2 | C13 | O1 | 2.9° | 0.8° |
| N2 | C14 | C15 | H5 | 0.9° | 0.0° |
| C14 | N2 | C12 | H15 | 77.6° | 44.0° |
| C14 | N2 | C12 | H16 | 44.2° | 77.9° |
| N2 | C13 | C10 | C11 | 22.2° | 15.8° |
| N2 | C13 | C10 | O1 | 179.6° | 179.9° |
| N2 | C13 | C10 | C23 | 95.3° | 134.2° |
| N2 | C13 | C10 | C9 | 144.0° | 102.5° |
| C13 | N2 | C12 | H15 | 105.4° | 135.9° |
| C13 | N2 | C12 | H16 | 132.8° | 102.1° |
| C11 | C10 | C13 | C23 | 117.4° | 118.4° |
| C11 | C10 | C13 | C9 | 121.8° | 118.3° |
| C11 | C10 | C13 | O1 | 157.4° | 164.2° |
| C11 | C10 | C23 | C9 | 128.6° | 121.9° |
| C11 | C10 | C23 | N1 | 179.2° | 170.9° |
| C11 | C10 | C9 | C8 | 36.2° | 42.3° |
| C11 | C10 | C9 | C4 | 150.8° | 137.8° |
| C10 | C11 | C12 | H15 | 92.4° | 144.0° |
| C10 | C11 | C12 | H16 | 145.8° | 94.0° |
| C10 | C11 | H17 | H18 | 122.6° | 123.9° |
| C11 | C10 | C23 | H21 | 60.8° | 51.2° |
| C11 | C10 | C23 | H22 | 59.1° | 69.4° |
| C13 | C10 | C23 | C9 | 120.8° | 123.0° |
| C13 | C10 | C23 | N1 | 70.2° | 74.0° |
| C13 | C10 | C9 | C8 | 78.6° | 72.8° |
| C13 | C10 | C9 | C4 | 94.4° | 107.1° |
| C13 | C10 | C11 | H17 | 148.6° | 142.4° |
| C13 | C10 | C11 | H18 | 89.6° | 93.7° |
| C13 | C10 | C23 | H21 | 49.8° | 166.3° |
| C13 | C10 | C23 | H22 | 169.7° | 45.7° |
| O1 | C13 | C10 | C23 | 85.2° | 45.8° |
| O1 | C13 | C10 | C9 | 35.6° | 77.4° |
| C10 | C23 | N1 | H21 | 120.0° | 119.8° |
| C10 | C23 | N1 | H22 | 120.1° | 119.7° |
| C23 | C10 | C9 | C8 | 163.9° | 164.1° |
| C23 | C10 | C9 | C4 | 23.1° | 15.9° |
| C10 | C23 | N1 | C2 | 164.1° | 166.2° |
| C10 | C23 | N1 | C3 | 67.2° | 70.3° |
| C23 | C10 | C11 | H17 | 35.8° | 98.7° |
| C23 | C10 | C11 | H18 | 157.6° | 25.1° |
| C10 | C23 | H21 | H22 | 119.8° | 120.5° |
| C9 | C10 | C23 | N1 | 50.6° | 49.0° |
| C10 | C9 | C8 | C4 | 173.0° | 179.9° |
| C10 | C9 | C8 | C7 | 169.0° | 179.7° |
| C10 | C9 | C4 | C3 | 11.0° | 0.4° |
| C10 | C9 | C4 | C5 | 170.0° | 179.6° |
| C10 | C9 | C8 | H4 | 11.0° | 0.2° |
| C9 | C10 | C11 | H17 | 91.4° | 23.8° |
| C9 | C10 | C11 | H18 | 30.4° | 147.6° |
| C9 | C10 | C23 | H21 | 170.6° | 70.7° |
| C9 | C10 | C23 | H22 | 69.5° | 168.7° |
| C23 | N1 | C2 | C1 | 98.0° | 170.8° |
| C23 | N1 | C2 | C3 | 127.5° | 123.1° |
| C23 | N1 | C3 | C4 | 52.9° | 52.9° |
| C23 | N1 | C3 | H19 | 173.4° | 173.3° |
| C23 | N1 | C3 | H20 | 67.6° | 67.4° |
| N1 | C23 | H21 | H22 | 119.8° | 120.4° |
| C23 | N1 | C2 | H23 | 141.2° | 50.8° |
| C23 | N1 | C2 | H24 | 22.8° | 69.2° |
| O | C1 | C2 | N | 180.0° | 180.0° |
| O | C1 | N | C | 3.8° | 0.0° |
| O | C1 | C2 | N1 | 137.1° | 0.0° |
| O | C1 | C2 | H23 | 102.0° | 120.0° |
| O | C1 | C2 | H24 | 16.4° | 120.0° |
| O | C1 | N | H25 | 176.2° | 180.0° |
| C2 | C1 | N | C | 176.2° | 180.0° |
| C1 | C2 | N1 | H23 | 120.8° | 120.1° |
| C1 | C2 | N1 | H24 | 120.8° | 120.0° |
| C1 | C2 | N1 | C3 | 134.5° | 66.0° |
| C1 | C2 | H23 | H24 | 117.6° | 120.0° |
| C2 | C1 | N | H25 | 3.8° | 0.0° |
| C1 | N | C | H25 | 180.0° | 180.0° |
| N | C1 | C2 | N1 | 42.8° | 180.0° |
| N | C1 | C2 | H23 | 78.0° | 60.0° |
| N | C1 | C2 | H24 | 163.6° | 60.0° |
| C1 | N | C | H26 | 180.0° | 60.0° |
| C1 | N | C | H27 | 60.0° | 60.0° |
| C1 | N | C | H28 | 60.0° | 180.0° |
| N | C | H26 | H27 | 120.0° | 119.9° |
| N | C | H26 | H28 | 120.0° | 120.0° |
| N | C | H27 | H28 | 120.0° | 120.0° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | CL | 174.2° | 180.0° |
| C9 | C8 | C7 | C6 | 2.5° | 0.0° |
| C8 | C9 | C4 | C3 | 176.0° | 179.7° |
| C8 | C9 | C4 | C5 | 3.0° | 0.3° |
| C7 | C8 | C9 | C4 | 4.0° | 0.2° |
| C8 | C7 | CL | C6 | 176.8° | 179.9° |
| C8 | C7 | C6 | C5 | 0.2° | 0.1° |
| C8 | C7 | C6 | H3 | 179.8° | 179.9° |
| C9 | C4 | C3 | N1 | 25.0° | 18.3° |
| C9 | C4 | C3 | C5 | 178.9° | 180.0° |
| C9 | C4 | C5 | C6 | 0.3° | 0.2° |
| C9 | C4 | C5 | H2 | 179.6° | 179.8° |
| C4 | C9 | C8 | H4 | 176.0° | 179.9° |
| C9 | C4 | C3 | H19 | 145.4° | 138.6° |
| C9 | C4 | C3 | H20 | 95.4° | 102.0° |
| C2 | N1 | C3 | C4 | 177.2° | 176.4° |
| C2 | N1 | C3 | H19 | 56.7° | 63.2° |
| C2 | N1 | C3 | H20 | 62.4° | 56.1° |
| C2 | N1 | C23 | H21 | 44.1° | 74.0° |
| C2 | N1 | C23 | H22 | 75.8° | 46.5° |
| N1 | C2 | H23 | H24 | 117.5° | 120.0° |
| N1 | C3 | C4 | H19 | 120.4° | 120.3° |
| N1 | C3 | C4 | H20 | 120.4° | 120.3° |
| N1 | C3 | C4 | C5 | 156.1° | 161.7° |
| N1 | C3 | H19 | H20 | 118.6° | 119.4° |
| C3 | N1 | C23 | H21 | 172.8° | 49.5° |
| C3 | N1 | C23 | H22 | 52.9° | 170.0° |
| C3 | N1 | C2 | H23 | 13.7° | 173.9° |
| C3 | N1 | C2 | H24 | 104.7° | 53.9° |
| CL | C7 | C6 | C5 | 176.8° | 179.8° |
| CL | C7 | C6 | H3 | 3.2° | 0.2° |
| CL | C7 | C8 | H4 | 5.7° | 0.1° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 178.8° | 180.0° |
| C6 | C7 | C8 | H4 | 177.6° | 179.9° |
| C3 | C4 | C5 | C6 | 178.6° | 179.8° |
| C3 | C4 | C5 | H2 | 1.4° | 0.3° |
| C4 | C3 | H19 | H20 | 118.7° | 119.4° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | H3 | 178.8° | 180.0° |
| C5 | C4 | C3 | H19 | 35.6° | 41.4° |
| C5 | C4 | C3 | H20 | 83.5° | 78.0° |
| H2 | C5 | C6 | H3 | 1.2° | 0.0° |
| H6 | C20 | C21 | H8 | 45.9° | 69.2° |
| H6 | C20 | C21 | H9 | 72.9° | 50.5° |
| H6 | C20 | C19 | H10 | 61.5° | 69.8° |
| H6 | C20 | C19 | H11 | 58.2° | 50.6° |
| H7 | C20 | C21 | H8 | 165.4° | 51.2° |
| H7 | C20 | C21 | H9 | 46.6° | 170.9° |
| H7 | C20 | C19 | H10 | 179.0° | 169.7° |
| H7 | C20 | C19 | H11 | 61.4° | 69.9° |
| H10 | C19 | C18 | H12 | 47.5° | 171.1° |
| H10 | C19 | C18 | H13 | 166.3° | 51.7° |
| H11 | C19 | C18 | H12 | 72.1° | 50.6° |
| H11 | C19 | C18 | H13 | 46.7° | 68.8° |
| H15 | C12 | C11 | H17 | 26.7° | 97.8° |
| H15 | C12 | C11 | H18 | 148.5° | 26.0° |
| H16 | C12 | C11 | H17 | 95.1° | 24.1° |
| H16 | C12 | C11 | H18 | 26.7° | 147.9° |
| H25 | N | C | H26 | 0.0° | 120.0° |
| H25 | N | C | H27 | 120.0° | 120.0° |
| H25 | N | C | H28 | 120.0° | 0.0° |
| H26 | C | H27 | H28 | 120.0° | 120.1° |
