4OR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.55Å | 1.53Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.55Å | 1.49Å | |
| N4 | C14 | sing | 1.46Å | 1.48Å | |
| N4 | C13 | sing | 1.35Å | 1.43Å | |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N3 | C13 | sing | 1.35Å | 1.36Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| C9 | C12 | sing | 1.54Å | 1.53Å | |
| C9 | N2 | sing | 1.46Å | 1.46Å | |
| C13 | O | doub | 1.21Å | 1.23Å | |
| N2 | C8 | sing | 1.38Å | 1.36Å | |
| CL | C20 | sing | 1.74Å | 1.75Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | N1 | doub | 1.29Å | 1.33Å | |
| C8 | C18 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.36Å | 1.41Å | |
| C18 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | N | sing | 1.40Å | 1.43Å | |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N | C2 | sing | 1.41Å | 1.44Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | F | sing | 1.35Å | 1.37Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | 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 | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C14 | N4 | 109.1° | 109.5° |
| C16 | C14 | C17 | 109.2° | 109.5° |
| C16 | C14 | C15 | 109.9° | 109.5° |
| C14 | C16 | H11 | 109.5° | 109.5° |
| C14 | C16 | H12 | 109.4° | 109.4° |
| C14 | C16 | H13 | 109.5° | 109.4° |
| C10 | C11 | N3 | 103.9° | 104.9° |
| C11 | C10 | C9 | 106.0° | 101.6° |
| C10 | C11 | H4 | 110.8° | 110.3° |
| C10 | C11 | H5 | 110.8° | 110.3° |
| C11 | C10 | H27 | 110.3° | 111.1° |
| C11 | C10 | H28 | 110.4° | 111.1° |
| C11 | N3 | C13 | 124.3° | 125.7° |
| C11 | N3 | C12 | 111.8° | 108.7° |
| N3 | C11 | H4 | 110.9° | 110.4° |
| N3 | C11 | H5 | 110.9° | 110.4° |
| C10 | C9 | C12 | 103.9° | 102.9° |
| C10 | C9 | N2 | 113.1° | 110.7° |
| C10 | C9 | H26 | 108.5° | 110.9° |
| C9 | C10 | H27 | 110.3° | 111.0° |
| C9 | C10 | H28 | 110.3° | 110.9° |
| C14 | N4 | C13 | 127.7° | 120.0° |
| N4 | C14 | C17 | 109.2° | 109.5° |
| N4 | C14 | C15 | 109.6° | 109.5° |
| C14 | N4 | H29 | 116.1° | 120.0° |
| N4 | C13 | N3 | 117.6° | 120.0° |
| N4 | C13 | O | 120.8° | 120.0° |
| C13 | N4 | H29 | 116.2° | 120.0° |
| C17 | C14 | C15 | 109.8° | 109.5° |
| C14 | C17 | H14 | 109.5° | 109.5° |
| C14 | C17 | H15 | 109.5° | 109.4° |
| C14 | C17 | H16 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.4° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C13 | N3 | C12 | 123.9° | 125.6° |
| N3 | C13 | O | 121.6° | 120.0° |
| N3 | C12 | C9 | 103.2° | 107.3° |
| N3 | C12 | H6 | 111.0° | 109.9° |
| N3 | C12 | H7 | 111.0° | 110.0° |
| C12 | C9 | N2 | 114.0° | 110.7° |
| C9 | C12 | H6 | 111.0° | 109.9° |
| C9 | C12 | H7 | 111.0° | 109.8° |
| C12 | C9 | H26 | 108.1° | 110.7° |
| C9 | N2 | C8 | 127.2° | 120.0° |
| C9 | N2 | H25 | 116.4° | 120.0° |
| N2 | C9 | H26 | 108.9° | 110.7° |
| N2 | C8 | N1 | 119.3° | 116.8° |
| N2 | C8 | C18 | 114.9° | 116.8° |
| C8 | N2 | H25 | 116.4° | 120.0° |
| CL | C20 | C19 | 119.0° | 119.8° |
| CL | C20 | C21 | 119.5° | 119.8° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C19 | C20 | C21 | 121.5° | 120.4° |
| C20 | C19 | H17 | 120.0° | 120.0° |
| C19 | C18 | C8 | 119.8° | 120.0° |
| C19 | C18 | C23 | 119.5° | 119.3° |
| C18 | C19 | H17 | 120.1° | 120.0° |
| N1 | C8 | C18 | 125.8° | 126.4° |
| C8 | N1 | C7 | 123.4° | 127.8° |
| C8 | C18 | C23 | 120.7° | 120.7° |
| C20 | C21 | C22 | 119.2° | 120.2° |
| C20 | C21 | H18 | 120.4° | 119.9° |
| N1 | C7 | C6 | 116.7° | 119.1° |
| N1 | C7 | C2 | 123.6° | 121.6° |
| C18 | C23 | C22 | 118.9° | 120.1° |
| C18 | C23 | N | 120.8° | 119.6° |
| C21 | C22 | C23 | 121.0° | 120.0° |
| C22 | C21 | H18 | 120.4° | 119.9° |
| C21 | C22 | H19 | 119.5° | 120.0° |
| C6 | C7 | C2 | 119.7° | 119.3° |
| C7 | C6 | C5 | 118.5° | 120.1° |
| C7 | C6 | H23 | 120.8° | 119.9° |
| C7 | C2 | N | 119.9° | 120.9° |
| C7 | C2 | C3 | 119.3° | 120.0° |
| C22 | C23 | N | 120.0° | 120.2° |
| C23 | C22 | H19 | 119.5° | 120.0° |
| C23 | N | C2 | 115.4° | 118.6° |
| C23 | N | C1 | 118.1° | 120.7° |
| C6 | C5 | F | 118.1° | 119.9° |
| C6 | C5 | C4 | 123.3° | 120.2° |
| C5 | C6 | H23 | 120.8° | 120.0° |
| C2 | N | C1 | 118.8° | 120.7° |
| N | C2 | C3 | 120.6° | 119.1° |
| N | C1 | C | 113.6° | 109.5° |
| N | C1 | H1 | 108.5° | 109.5° |
| N | C1 | H2 | 108.5° | 109.5° |
| C2 | C3 | C4 | 120.8° | 120.2° |
| C2 | C3 | H3 | 119.6° | 119.9° |
| F | C5 | C4 | 118.5° | 119.9° |
| C5 | C4 | C3 | 118.4° | 120.1° |
| C5 | C4 | H24 | 120.8° | 119.9° |
| C | C1 | H1 | 108.4° | 109.5° |
| C | C1 | H2 | 108.4° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.5° | 109.5° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C3 | C4 | H24 | 120.8° | 119.9° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H4 | C11 | H5 | 109.5° | 110.4° |
| H6 | C12 | H7 | 109.5° | 109.9° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H13 | 109.4° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.4° | 109.5° |
| H14 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H20 | C | H21 | 109.4° | 109.5° |
| H20 | C | H22 | 109.5° | 109.5° |
| H21 | C | H22 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C14 | N4 | C17 | 119.3° | 120.0° |
| C16 | C14 | N4 | C15 | 120.4° | 120.0° |
| C16 | C14 | N4 | C13 | 177.4° | 60.1° |
| C16 | C14 | C17 | C15 | 120.6° | 120.0° |
| C16 | C14 | C15 | H8 | 180.0° | 60.0° |
| C16 | C14 | C15 | H9 | 60.0° | 180.0° |
| C16 | C14 | C15 | H10 | 60.0° | 60.0° |
| C14 | C16 | H11 | H12 | 120.0° | 120.0° |
| C14 | C16 | H11 | H13 | 120.0° | 119.9° |
| C14 | C16 | H12 | H13 | 120.0° | 120.0° |
| C16 | C14 | C17 | H14 | 180.0° | 180.0° |
| C16 | C14 | C17 | H15 | 60.0° | 60.0° |
| C16 | C14 | C17 | H16 | 60.0° | 60.0° |
| C16 | C14 | N4 | H29 | 2.6° | 120.0° |
| C10 | C11 | N3 | H4 | 119.1° | 118.8° |
| C10 | C11 | N3 | H5 | 119.1° | 118.8° |
| C11 | C10 | C9 | H27 | 119.4° | 118.1° |
| C11 | C10 | C9 | H28 | 119.5° | 118.1° |
| C10 | C11 | N3 | C13 | 176.4° | 155.9° |
| C10 | C11 | N3 | C12 | 1.6° | 24.1° |
| C11 | C10 | C9 | C12 | 32.0° | 35.5° |
| C11 | C10 | C9 | N2 | 92.2° | 153.9° |
| C10 | C11 | H4 | H5 | 122.5° | 122.2° |
| C11 | C10 | C9 | H26 | 146.8° | 82.9° |
| C11 | C10 | H27 | H28 | 121.6° | 124.0° |
| N3 | C11 | C10 | C9 | 19.2° | 37.0° |
| C11 | N3 | C13 | N4 | 5.2° | 0.1° |
| C11 | N3 | C13 | C12 | 177.8° | 180.0° |
| C11 | N3 | C12 | C9 | 21.1° | 1.0° |
| C11 | N3 | C13 | O | 174.6° | 180.0° |
| N3 | C11 | H4 | H5 | 122.6° | 122.3° |
| C11 | N3 | C12 | H6 | 97.9° | 120.5° |
| C11 | N3 | C12 | H7 | 140.1° | 118.4° |
| N3 | C11 | C10 | H27 | 138.7° | 81.1° |
| N3 | C11 | C10 | H28 | 100.2° | 155.0° |
| C10 | C9 | C12 | N3 | 32.2° | 22.2° |
| C10 | C9 | C12 | N2 | 123.6° | 118.4° |
| C10 | C9 | C12 | H26 | 115.1° | 118.5° |
| C10 | C9 | N2 | H26 | 120.7° | 123.4° |
| C10 | C9 | N2 | C8 | 175.2° | 160.1° |
| C9 | C10 | C11 | H4 | 138.4° | 155.9° |
| C9 | C10 | C11 | H5 | 99.9° | 81.8° |
| C10 | C9 | C12 | H6 | 86.8° | 97.3° |
| C10 | C9 | C12 | H7 | 151.2° | 141.7° |
| C10 | C9 | N2 | H25 | 4.8° | 20.0° |
| C9 | C10 | H27 | H28 | 121.6° | 123.8° |
| C14 | N4 | C13 | H29 | 180.0° | 179.9° |
| N4 | C14 | C17 | C15 | 120.2° | 120.0° |
| C14 | N4 | C13 | N3 | 179.2° | 180.0° |
| C14 | N4 | C13 | O | 0.6° | 0.1° |
| N4 | C14 | C15 | H8 | 60.1° | 60.0° |
| N4 | C14 | C15 | H9 | 179.9° | 60.0° |
| N4 | C14 | C15 | H10 | 59.9° | 180.0° |
| N4 | C14 | C16 | H11 | 180.0° | 180.0° |
| N4 | C14 | C16 | H12 | 60.0° | 60.0° |
| N4 | C14 | C16 | H13 | 60.0° | 60.1° |
| N4 | C14 | C17 | H14 | 60.8° | 60.0° |
| N4 | C14 | C17 | H15 | 59.2° | 60.0° |
| N4 | C14 | C17 | H16 | 179.2° | 180.0° |
| C13 | N4 | C14 | C17 | 63.4° | 179.9° |
| C13 | N4 | C14 | C15 | 56.9° | 60.0° |
| N4 | C13 | N3 | O | 179.8° | 179.9° |
| N4 | C13 | N3 | C12 | 177.1° | 179.9° |
| C17 | C14 | C15 | H8 | 59.9° | 180.0° |
| C17 | C14 | C15 | H9 | 60.1° | 60.0° |
| C17 | C14 | C15 | H10 | 179.9° | 60.0° |
| C17 | C14 | C16 | H11 | 60.7° | 60.0° |
| C17 | C14 | C16 | H12 | 59.3° | 60.0° |
| C17 | C14 | C16 | H13 | 179.3° | 180.0° |
| C14 | C17 | H14 | H15 | 120.0° | 120.0° |
| C14 | C17 | H14 | H16 | 120.0° | 120.0° |
| C14 | C17 | H15 | H16 | 120.0° | 120.0° |
| C17 | C14 | N4 | H29 | 116.6° | 0.0° |
| C14 | C15 | H8 | H9 | 120.0° | 120.0° |
| C14 | C15 | H8 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C15 | C14 | C16 | H11 | 59.8° | 60.0° |
| C15 | C14 | C16 | H12 | 179.8° | 180.0° |
| C15 | C14 | C16 | H13 | 60.3° | 60.0° |
| C15 | C14 | C17 | H14 | 59.4° | 60.0° |
| C15 | C14 | C17 | H15 | 179.4° | 180.0° |
| C15 | C14 | C17 | H16 | 60.6° | 60.0° |
| C15 | C14 | N4 | H29 | 123.1° | 120.0° |
| C13 | N3 | C12 | C9 | 156.9° | 179.0° |
| C13 | N3 | C11 | H4 | 64.5° | 37.1° |
| C13 | N3 | C11 | H5 | 57.3° | 85.3° |
| C13 | N3 | C12 | H6 | 84.1° | 59.5° |
| C13 | N3 | C12 | H7 | 37.9° | 61.6° |
| N3 | C13 | N4 | H29 | 0.8° | 0.1° |
| N3 | C12 | C9 | H6 | 119.0° | 119.5° |
| N3 | C12 | C9 | H7 | 119.0° | 119.5° |
| N3 | C12 | C9 | N2 | 91.4° | 140.6° |
| C12 | N3 | C13 | O | 3.1° | 0.0° |
| C12 | N3 | C11 | H4 | 117.5° | 142.9° |
| C12 | N3 | C11 | H5 | 120.7° | 94.7° |
| N3 | C12 | H6 | H7 | 122.9° | 121.2° |
| N3 | C12 | C9 | H26 | 147.3° | 96.3° |
| C12 | C9 | N2 | H26 | 120.8° | 123.1° |
| C12 | C9 | N2 | C8 | 66.3° | 86.5° |
| C9 | C12 | H6 | H7 | 122.9° | 121.0° |
| C12 | C9 | N2 | H25 | 113.7° | 93.5° |
| C12 | C9 | C10 | H27 | 151.5° | 82.6° |
| C12 | C9 | C10 | H28 | 87.5° | 153.6° |
| C9 | N2 | C8 | H25 | 180.0° | 180.0° |
| C9 | N2 | C8 | N1 | 2.7° | 0.0° |
| C9 | N2 | C8 | C18 | 177.1° | 180.0° |
| N2 | C9 | C12 | H6 | 149.6° | 21.1° |
| N2 | C9 | C12 | H7 | 27.6° | 99.9° |
| N2 | C9 | C10 | H27 | 27.3° | 35.7° |
| N2 | C9 | C10 | H28 | 148.3° | 88.0° |
| O | C13 | N4 | H29 | 179.4° | 180.0° |
| N2 | C8 | C18 | C19 | 45.6° | 37.9° |
| N2 | C8 | N1 | C18 | 179.8° | 180.0° |
| N2 | C8 | N1 | C7 | 179.6° | 178.5° |
| N2 | C8 | C18 | C23 | 137.9° | 140.4° |
| C8 | N2 | C9 | H26 | 54.5° | 36.7° |
| CL | C20 | C19 | C21 | 178.7° | 180.0° |
| CL | C20 | C19 | C18 | 178.3° | 180.0° |
| CL | C20 | C21 | C22 | 178.7° | 179.4° |
| CL | C20 | C19 | H17 | 1.7° | 0.0° |
| CL | C20 | C21 | H18 | 1.3° | 0.7° |
| C20 | C19 | C18 | H17 | 180.0° | 179.9° |
| C20 | C19 | C18 | C8 | 176.9° | 177.1° |
| C20 | C19 | C18 | C23 | 0.4° | 1.2° |
| C19 | C20 | C21 | C22 | 0.0° | 0.6° |
| C19 | C20 | C21 | H18 | 180.0° | 179.3° |
| C19 | C18 | C8 | N1 | 134.2° | 142.1° |
| C19 | C18 | C8 | C23 | 176.5° | 178.3° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C18 | C23 | C22 | 1.6° | 1.8° |
| C19 | C18 | C23 | N | 172.4° | 176.3° |
| N1 | C8 | C18 | C23 | 42.3° | 39.6° |
| C8 | N1 | C7 | C6 | 136.3° | 140.0° |
| C8 | N1 | C7 | C2 | 46.8° | 40.8° |
| N1 | C8 | N2 | H25 | 177.3° | 180.0° |
| C18 | C8 | N1 | C7 | 0.2° | 1.6° |
| C8 | C18 | C23 | C22 | 178.1° | 176.5° |
| C8 | C18 | C23 | N | 4.1° | 5.4° |
| C8 | C18 | C19 | H17 | 3.0° | 2.9° |
| C18 | C8 | N2 | H25 | 2.9° | 0.1° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.3° | 0.0° |
| C21 | C20 | C19 | H17 | 179.6° | 180.0° |
| C20 | C21 | C22 | H19 | 178.7° | 180.0° |
| N1 | C7 | C6 | C2 | 177.0° | 179.3° |
| N1 | C7 | C6 | C5 | 174.9° | 177.6° |
| N1 | C7 | C2 | N | 12.1° | 4.7° |
| N1 | C7 | C2 | C3 | 173.6° | 177.1° |
| N1 | C7 | C6 | H23 | 5.1° | 2.3° |
| C18 | C23 | C22 | C21 | 2.1° | 1.3° |
| C18 | C23 | C22 | N | 174.1° | 178.2° |
| C18 | C23 | N | C2 | 61.2° | 58.3° |
| C18 | C23 | N | C1 | 149.7° | 121.6° |
| C23 | C18 | C19 | H17 | 179.6° | 178.7° |
| C18 | C23 | C22 | H19 | 177.9° | 178.8° |
| C21 | C22 | C23 | H19 | 180.0° | 179.9° |
| C21 | C22 | C23 | N | 172.0° | 176.9° |
| C7 | C6 | C5 | H23 | 180.0° | 179.9° |
| C6 | C7 | C2 | N | 171.1° | 176.1° |
| C6 | C7 | C2 | C3 | 3.2° | 2.1° |
| C7 | C6 | C5 | F | 178.5° | 179.9° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C7 | C2 | N | C23 | 58.0° | 60.6° |
| C2 | C7 | C6 | C5 | 2.2° | 1.6° |
| C7 | C2 | N | C3 | 174.2° | 178.2° |
| C7 | C2 | N | C1 | 153.0° | 119.3° |
| C7 | C2 | C3 | C4 | 2.0° | 1.1° |
| C7 | C2 | C3 | H3 | 177.9° | 178.9° |
| C2 | C7 | C6 | H23 | 177.8° | 178.4° |
| C22 | C23 | N | C2 | 112.8° | 119.9° |
| C22 | C23 | N | C1 | 36.4° | 60.2° |
| C23 | C22 | C21 | H18 | 178.7° | 180.0° |
| C23 | N | C2 | C1 | 149.0° | 179.9° |
| C23 | N | C2 | C3 | 116.2° | 117.6° |
| C23 | N | C1 | C | 142.5° | 90.0° |
| C23 | N | C1 | H1 | 21.9° | 150.0° |
| C23 | N | C1 | H2 | 96.9° | 30.0° |
| N | C23 | C22 | H19 | 8.0° | 3.0° |
| C6 | C5 | F | C4 | 178.6° | 180.0° |
| C6 | C5 | C4 | C3 | 1.1° | 1.0° |
| C6 | C5 | C4 | H24 | 178.9° | 179.0° |
| C2 | N | C1 | C | 69.3° | 90.0° |
| N | C2 | C3 | C4 | 172.2° | 177.2° |
| C2 | N | C1 | H1 | 170.1° | 30.0° |
| C2 | N | C1 | H2 | 51.3° | 150.1° |
| N | C2 | C3 | H3 | 7.8° | 2.8° |
| C1 | N | C2 | C3 | 32.8° | 62.4° |
| N | C1 | C | H1 | 120.6° | 120.0° |
| N | C1 | C | H2 | 120.6° | 120.0° |
| N | C1 | H1 | H2 | 118.1° | 120.0° |
| N | C1 | C | H20 | 180.0° | 60.0° |
| N | C1 | C | H21 | 60.0° | 180.0° |
| N | C1 | C | H22 | 60.0° | 60.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H24 | 179.9° | 179.5° |
| F | C5 | C4 | C3 | 179.7° | 179.0° |
| F | C5 | C6 | H23 | 1.5° | 0.0° |
| F | C5 | C4 | H24 | 0.3° | 1.0° |
| C5 | C4 | C3 | H24 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.5° |
| C4 | C5 | C6 | H23 | 180.0° | 180.0° |
| C | C1 | H1 | H2 | 118.1° | 120.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| H1 | C1 | C | H20 | 59.4° | 60.0° |
| H1 | C1 | C | H21 | 179.4° | 60.0° |
| H1 | C1 | C | H22 | 60.6° | 180.0° |
| H2 | C1 | C | H20 | 59.4° | 180.0° |
| H2 | C1 | C | H21 | 60.6° | 60.0° |
| H2 | C1 | C | H22 | 179.4° | 60.0° |
| H3 | C3 | C4 | H24 | 0.0° | 0.6° |
| H4 | C11 | C10 | H27 | 102.2° | 37.8° |
| H4 | C11 | C10 | H28 | 18.9° | 86.1° |
| H5 | C11 | C10 | H27 | 19.6° | 160.1° |
| H5 | C11 | C10 | H28 | 140.7° | 36.2° |
| H6 | C12 | C9 | H26 | 28.3° | 144.2° |
| H7 | C12 | C9 | H26 | 93.7° | 23.2° |
| H8 | C15 | H9 | H10 | 120.0° | 120.0° |
| H11 | C16 | H12 | H13 | 120.0° | 120.0° |
| H14 | C17 | H15 | H16 | 119.9° | 120.0° |
| H18 | C21 | C22 | H19 | 1.3° | 0.1° |
| H20 | C | H21 | H22 | 120.0° | 120.0° |
| H25 | N2 | C9 | H26 | 125.5° | 143.4° |
| H26 | C9 | C10 | H27 | 93.7° | 159.0° |
| H26 | C9 | C10 | H28 | 27.4° | 35.2° |
