8UF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O53 | C52 | doub | 1.21Å | 1.27Å | |
| C52 | O54 | sing | 1.34Å | 1.26Å | |
| C52 | C51 | sing | 1.51Å | 1.53Å | |
| N11 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| N11 | N12 | sing | 1.40Å | 1.40Å | Aromatic |
| C51 | C38 | sing | 1.53Å | 1.54Å | |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.49Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C10 | C5 | doub | 1.34Å | 1.51Å | Aromatic |
| N12 | C6 | doub | 1.30Å | 1.33Å | Aromatic |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C40 | N35 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | sing | 1.50Å | 1.51Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| N35 | C19 | sing | 1.40Å | 1.41Å | |
| N35 | C36 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C41 | sing | 1.39Å | 1.41Å | Aromatic |
| O1 | C2 | sing | 1.35Å | 1.45Å | |
| C16 | C4 | sing | 1.50Å | 1.49Å | |
| C16 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C4 | C14 | sing | 1.54Å | 1.58Å | |
| C4 | C3 | sing | 1.50Å | 1.54Å | |
| C41 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C30 | sing | 1.53Å | 1.54Å | |
| C14 | C44 | sing | 1.55Å | 1.55Å | |
| C17 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | C44 | sing | 1.50Å | 1.51Å | |
| C18 | F29 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | |
| C2 | N7 | sing | 1.37Å | 1.33Å | |
| C3 | C8 | sing | 1.43Å | 1.29Å | |
| C8 | N9 | trip | 1.14Å | 1.18Å | |
| N7 | H1 | sing | 0.97Å | 1.00Å | |
| N7 | H2 | sing | 0.97Å | 1.00Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| O54 | H10 | sing | 0.97Å | 0.95Å | |
| C51 | H11 | sing | 1.09Å | 1.10Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C38 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.08Å | 1.08Å | |
| C44 | H23 | sing | 1.09Å | 1.10Å | |
| C44 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| N11 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O53 | C52 | O54 | 123.0° | 120.0° |
| O53 | C52 | C51 | 119.8° | 120.0° |
| O54 | C52 | C51 | 117.2° | 120.0° |
| C52 | O54 | H10 | 109.5° | 117.1° |
| C52 | C51 | C38 | 115.2° | 109.5° |
| C52 | C51 | H11 | 108.0° | 109.5° |
| C52 | C51 | H12 | 108.0° | 109.5° |
| C10 | N11 | N12 | 115.4° | 108.1° |
| N11 | C10 | C13 | 123.7° | 126.2° |
| N11 | C10 | C5 | 104.5° | 107.6° |
| C10 | N11 | H28 | 122.3° | 125.9° |
| N11 | N12 | C6 | 103.6° | 108.1° |
| N12 | N11 | H28 | 122.3° | 126.0° |
| C51 | C38 | C39 | 108.6° | 109.5° |
| C51 | C38 | C37 | 113.1° | 109.5° |
| C38 | C51 | H11 | 108.0° | 109.5° |
| C38 | C51 | H12 | 108.0° | 109.5° |
| C51 | C38 | H13 | 108.3° | 109.5° |
| C13 | C10 | C5 | 131.8° | 126.2° |
| C10 | C13 | H3 | 109.5° | 109.5° |
| C10 | C13 | H4 | 109.5° | 109.5° |
| C10 | C13 | H5 | 109.5° | 109.4° |
| C38 | C39 | C40 | 109.5° | 109.3° |
| C39 | C38 | C37 | 109.1° | 109.1° |
| C39 | C38 | H13 | 109.0° | 109.6° |
| C38 | C39 | H18 | 109.5° | 109.5° |
| C38 | C39 | H19 | 109.5° | 109.5° |
| C39 | C40 | N35 | 109.9° | 109.5° |
| C40 | C39 | H18 | 109.4° | 109.5° |
| C40 | C39 | H19 | 109.4° | 109.5° |
| C39 | C40 | H20 | 109.3° | 109.5° |
| C39 | C40 | H21 | 109.4° | 109.4° |
| C10 | C5 | C6 | 101.4° | 108.0° |
| C10 | C5 | C4 | 137.2° | 130.1° |
| N12 | C6 | C5 | 115.1° | 108.0° |
| N12 | C6 | O1 | 126.9° | 130.1° |
| C38 | C37 | C36 | 109.5° | 109.3° |
| C37 | C38 | H13 | 108.6° | 109.5° |
| C38 | C37 | H14 | 109.5° | 109.5° |
| C38 | C37 | H15 | 109.5° | 109.5° |
| C40 | N35 | C19 | 113.7° | 111.0° |
| C40 | N35 | C36 | 126.4° | 111.2° |
| N35 | C40 | H20 | 109.4° | 109.5° |
| N35 | C40 | H21 | 109.4° | 109.5° |
| C5 | C6 | O1 | 118.1° | 121.9° |
| C6 | C5 | C4 | 121.3° | 121.9° |
| C6 | O1 | C2 | 120.2° | 117.9° |
| C5 | C4 | C16 | 107.4° | 111.2° |
| C5 | C4 | C14 | 115.0° | 110.0° |
| C5 | C4 | C3 | 111.0° | 108.9° |
| C37 | C36 | N35 | 110.0° | 109.5° |
| C36 | C37 | H14 | 109.5° | 109.5° |
| C36 | C37 | H15 | 109.5° | 109.5° |
| C37 | C36 | H16 | 109.4° | 109.5° |
| C37 | C36 | H17 | 109.3° | 109.5° |
| C19 | N35 | C36 | 119.1° | 111.0° |
| N35 | C19 | C20 | 122.0° | 119.3° |
| N35 | C19 | C41 | 120.3° | 119.3° |
| N35 | C36 | H16 | 109.3° | 109.5° |
| N35 | C36 | H17 | 109.3° | 109.4° |
| C15 | C14 | C4 | 114.5° | 110.8° |
| C15 | C14 | C30 | 106.0° | 110.7° |
| C15 | C14 | C44 | 108.5° | 110.8° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.4° |
| C14 | C15 | H8 | 109.4° | 109.4° |
| C19 | C20 | C16 | 119.2° | 117.2° |
| C20 | C19 | C41 | 117.6° | 121.4° |
| C19 | C20 | H9 | 120.4° | 121.4° |
| C20 | C16 | C4 | 128.1° | 129.0° |
| C20 | C16 | C17 | 122.1° | 121.3° |
| C16 | C20 | H9 | 120.4° | 121.4° |
| C19 | C41 | C18 | 122.1° | 121.4° |
| C19 | C41 | H22 | 118.9° | 119.3° |
| O1 | C2 | C3 | 120.8° | 124.4° |
| O1 | C2 | N7 | 114.7° | 117.8° |
| C4 | C16 | C17 | 109.8° | 109.7° |
| C16 | C4 | C14 | 103.3° | 105.7° |
| C16 | C4 | C3 | 110.5° | 111.1° |
| C16 | C17 | C18 | 120.8° | 121.4° |
| C16 | C17 | C44 | 112.4° | 109.9° |
| C14 | C4 | C3 | 109.5° | 110.0° |
| C4 | C14 | C30 | 115.5° | 110.8° |
| C4 | C14 | C44 | 102.5° | 102.6° |
| C4 | C3 | C2 | 119.9° | 122.7° |
| C4 | C3 | C8 | 118.8° | 118.6° |
| C41 | C18 | C17 | 118.2° | 117.2° |
| C41 | C18 | F29 | 122.5° | 121.4° |
| C18 | C41 | H22 | 118.9° | 119.3° |
| C30 | C14 | C44 | 109.7° | 111.0° |
| C14 | C30 | H25 | 109.5° | 109.5° |
| C14 | C30 | H26 | 109.5° | 109.5° |
| C14 | C30 | H27 | 109.5° | 109.5° |
| C14 | C44 | C17 | 101.5° | 105.2° |
| C14 | C44 | H23 | 111.4° | 110.3° |
| C14 | C44 | H24 | 111.4° | 110.4° |
| C18 | C17 | C44 | 126.9° | 128.7° |
| C17 | C18 | F29 | 119.3° | 121.3° |
| C17 | C44 | H23 | 111.5° | 110.2° |
| C17 | C44 | H24 | 111.4° | 110.3° |
| C3 | C2 | N7 | 124.4° | 117.8° |
| C2 | C3 | C8 | 121.3° | 118.7° |
| C2 | N7 | H1 | 109.5° | 120.0° |
| C2 | N7 | H2 | 109.5° | 120.0° |
| C3 | C8 | N9 | 179.5° | 180.0° |
| H1 | N7 | H2 | 109.5° | 119.9° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H11 | C51 | H12 | 109.4° | 109.5° |
| H14 | C37 | H15 | 109.4° | 109.5° |
| H16 | C36 | H17 | 109.5° | 109.4° |
| H18 | C39 | H19 | 109.5° | 109.6° |
| H20 | C40 | H21 | 109.5° | 109.5° |
| H23 | C44 | H24 | 109.5° | 110.3° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O53 | C52 | O54 | C51 | 178.5° | 180.0° |
| O53 | C52 | C51 | C38 | 101.5° | 0.0° |
| O53 | C52 | O54 | H10 | 0.0° | 0.0° |
| O53 | C52 | C51 | H11 | 137.6° | 120.0° |
| O53 | C52 | C51 | H12 | 19.4° | 120.0° |
| O54 | C52 | C51 | C38 | 79.9° | 180.0° |
| O54 | C52 | C51 | H11 | 41.0° | 60.0° |
| O54 | C52 | C51 | H12 | 159.2° | 60.0° |
| C52 | C51 | C38 | H11 | 120.9° | 120.0° |
| C52 | C51 | C38 | H12 | 120.9° | 120.0° |
| C52 | C51 | C38 | C39 | 121.0° | 65.3° |
| C52 | C51 | C38 | C37 | 117.8° | 175.0° |
| C51 | C52 | O54 | H10 | 178.6° | 180.0° |
| C52 | C51 | H11 | H12 | 117.4° | 120.0° |
| C52 | C51 | C38 | H13 | 2.7° | 54.9° |
| C10 | N11 | N12 | H28 | 180.0° | 180.0° |
| N11 | C10 | C13 | C5 | 179.6° | 180.0° |
| C10 | N11 | N12 | C6 | 1.4° | 0.0° |
| N11 | C10 | C5 | C6 | 0.4° | 0.0° |
| N11 | C10 | C5 | C4 | 179.5° | 180.0° |
| N11 | C10 | C13 | H3 | 89.8° | 90.1° |
| N11 | C10 | C13 | H4 | 150.2° | 30.0° |
| N11 | C10 | C13 | H5 | 30.2° | 150.0° |
| N12 | N11 | C10 | C13 | 178.5° | 180.0° |
| N12 | N11 | C10 | C5 | 1.2° | 0.1° |
| N11 | N12 | C6 | C5 | 1.1° | 0.0° |
| N11 | N12 | C6 | O1 | 178.1° | 179.6° |
| C51 | C38 | C39 | C37 | 123.6° | 119.9° |
| C51 | C38 | C39 | H13 | 117.9° | 120.2° |
| C51 | C38 | C39 | C40 | 168.2° | 177.6° |
| C51 | C38 | C37 | H13 | 120.3° | 120.1° |
| C51 | C38 | C37 | C36 | 172.9° | 177.6° |
| C38 | C51 | H11 | H12 | 117.4° | 120.0° |
| C51 | C38 | C37 | H14 | 52.8° | 62.4° |
| C51 | C38 | C37 | H15 | 67.1° | 57.6° |
| C51 | C38 | C39 | H18 | 71.9° | 57.7° |
| C51 | C38 | C39 | H19 | 48.2° | 62.5° |
| C13 | C10 | C5 | C6 | 179.2° | 180.0° |
| C13 | C10 | C5 | C4 | 0.9° | 0.1° |
| C10 | C13 | H3 | H4 | 120.0° | 120.1° |
| C10 | C13 | H3 | H5 | 120.0° | 119.9° |
| C10 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C10 | N11 | H28 | 1.5° | 0.0° |
| C38 | C39 | C40 | H18 | 120.0° | 119.9° |
| C38 | C39 | C40 | H19 | 120.0° | 119.9° |
| C39 | C38 | C37 | H13 | 118.7° | 120.0° |
| C38 | C39 | C40 | N35 | 47.5° | 59.2° |
| C39 | C38 | C37 | C36 | 66.2° | 57.7° |
| C39 | C38 | C51 | H11 | 118.2° | 174.7° |
| C39 | C38 | C51 | H12 | 0.1° | 54.7° |
| C39 | C38 | C37 | H14 | 173.8° | 177.6° |
| C39 | C38 | C37 | H15 | 53.8° | 62.3° |
| C38 | C39 | H18 | H19 | 120.0° | 120.1° |
| C38 | C39 | C40 | H20 | 167.5° | 179.2° |
| C38 | C39 | C40 | H21 | 72.6° | 60.8° |
| C40 | C39 | C38 | C37 | 68.2° | 57.6° |
| C39 | C40 | N35 | H20 | 120.0° | 120.0° |
| C39 | C40 | N35 | H21 | 120.1° | 119.9° |
| C39 | C40 | N35 | C19 | 158.7° | 174.1° |
| C39 | C40 | N35 | C36 | 31.5° | 61.7° |
| C40 | C39 | C38 | H13 | 50.3° | 62.3° |
| C40 | C39 | H18 | H19 | 119.9° | 120.1° |
| C39 | C40 | H20 | H21 | 119.8° | 119.9° |
| C10 | C5 | C6 | N12 | 0.4° | 0.0° |
| C10 | C5 | C6 | C4 | 179.9° | 179.9° |
| C10 | C5 | C6 | O1 | 178.8° | 179.6° |
| C10 | C5 | C4 | C16 | 37.4° | 45.6° |
| C10 | C5 | C4 | C14 | 76.9° | 71.0° |
| C10 | C5 | C4 | C3 | 158.2° | 168.4° |
| C5 | C10 | C13 | H3 | 89.8° | 89.9° |
| C5 | C10 | C13 | H4 | 30.2° | 150.0° |
| C5 | C10 | C13 | H5 | 150.2° | 30.0° |
| C5 | C10 | N11 | H28 | 178.8° | 179.9° |
| N12 | C6 | C5 | O1 | 179.2° | 179.6° |
| N12 | C6 | C5 | C4 | 179.6° | 180.0° |
| N12 | C6 | O1 | C2 | 156.2° | 167.2° |
| C6 | N12 | N11 | H28 | 178.5° | 179.9° |
| C38 | C37 | C36 | H14 | 120.0° | 119.9° |
| C38 | C37 | C36 | H15 | 120.0° | 119.9° |
| C38 | C37 | C36 | N35 | 44.0° | 59.2° |
| C37 | C38 | C51 | H11 | 3.1° | 55.0° |
| C37 | C38 | C51 | H12 | 121.3° | 65.0° |
| C38 | C37 | H14 | H15 | 120.0° | 120.0° |
| C38 | C37 | C36 | H16 | 76.1° | 60.9° |
| C38 | C37 | C36 | H17 | 164.0° | 179.2° |
| C37 | C38 | C39 | H18 | 51.8° | 62.3° |
| C37 | C38 | C39 | H19 | 171.8° | 177.6° |
| C40 | N35 | C36 | C37 | 29.9° | 61.8° |
| C40 | N35 | C19 | C36 | 170.7° | 124.2° |
| C40 | N35 | C19 | C20 | 51.6° | 180.0° |
| C40 | N35 | C19 | C41 | 123.4° | 0.1° |
| C40 | N35 | C36 | H16 | 90.2° | 58.3° |
| C40 | N35 | C36 | H17 | 150.0° | 178.2° |
| N35 | C40 | C39 | H18 | 72.5° | 60.8° |
| N35 | C40 | C39 | H19 | 167.5° | 179.1° |
| N35 | C40 | H20 | H21 | 119.8° | 120.0° |
| C5 | C6 | O1 | C2 | 24.6° | 12.3° |
| C6 | C5 | C4 | C16 | 142.7° | 134.3° |
| C6 | C5 | C4 | C14 | 103.1° | 109.0° |
| C6 | C5 | C4 | C3 | 21.9° | 11.5° |
| O1 | C6 | C5 | C4 | 1.1° | 0.3° |
| C6 | O1 | C2 | C3 | 23.0° | 12.5° |
| C6 | O1 | C2 | N7 | 154.8° | 167.2° |
| C5 | C4 | C14 | C15 | 30.4° | 23.3° |
| C5 | C4 | C16 | C20 | 39.2° | 77.1° |
| C5 | C4 | C16 | C14 | 121.9° | 119.3° |
| C5 | C4 | C16 | C3 | 121.1° | 121.5° |
| C5 | C4 | C16 | C17 | 141.9° | 102.9° |
| C5 | C4 | C14 | C3 | 125.7° | 119.9° |
| C5 | C4 | C14 | C30 | 93.2° | 146.6° |
| C5 | C4 | C14 | C44 | 147.7° | 95.0° |
| C5 | C4 | C3 | C2 | 23.8° | 11.7° |
| C5 | C4 | C3 | C8 | 159.1° | 168.2° |
| C37 | C36 | N35 | C19 | 160.7° | 174.1° |
| C37 | C36 | N35 | H16 | 120.1° | 120.0° |
| C37 | C36 | N35 | H17 | 120.1° | 120.0° |
| C36 | C37 | C38 | H13 | 52.5° | 62.3° |
| C36 | C37 | H14 | H15 | 120.0° | 120.2° |
| C37 | C36 | H16 | H17 | 119.8° | 120.0° |
| N35 | C19 | C20 | C41 | 175.2° | 179.9° |
| N35 | C19 | C20 | C16 | 175.1° | 180.0° |
| N35 | C19 | C41 | C18 | 175.6° | 180.0° |
| N35 | C19 | C20 | H9 | 4.9° | 0.1° |
| C19 | N35 | C36 | H16 | 79.2° | 65.8° |
| C19 | N35 | C36 | H17 | 40.7° | 54.1° |
| C19 | N35 | C40 | H20 | 38.6° | 54.1° |
| C19 | N35 | C40 | H21 | 81.3° | 65.9° |
| N35 | C19 | C41 | H22 | 4.4° | 0.0° |
| C36 | N35 | C19 | C20 | 137.7° | 55.7° |
| C36 | N35 | C19 | C41 | 47.2° | 124.1° |
| N35 | C36 | C37 | H14 | 164.0° | 179.1° |
| N35 | C36 | C37 | H15 | 76.1° | 60.7° |
| N35 | C36 | H16 | H17 | 119.8° | 119.9° |
| C36 | N35 | C40 | H20 | 151.5° | 178.2° |
| C36 | N35 | C40 | H21 | 88.6° | 58.2° |
| C15 | C14 | C4 | C16 | 86.2° | 143.3° |
| C15 | C14 | C4 | C30 | 123.6° | 123.3° |
| C15 | C14 | C4 | C44 | 117.3° | 118.3° |
| C15 | C14 | C4 | C3 | 156.1° | 96.6° |
| C15 | C14 | C30 | C44 | 117.0° | 123.4° |
| C15 | C14 | C44 | C17 | 91.3° | 143.2° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H8 | 120.0° | 119.9° |
| C15 | C14 | C44 | H23 | 150.0° | 24.3° |
| C15 | C14 | C44 | H24 | 27.4° | 97.8° |
| C15 | C14 | C30 | H25 | 180.0° | 63.3° |
| C15 | C14 | C30 | H26 | 60.0° | 56.7° |
| C15 | C14 | C30 | H27 | 60.0° | 176.7° |
| C19 | C20 | C16 | H9 | 180.0° | 179.9° |
| C19 | C20 | C16 | C4 | 179.5° | 180.0° |
| C19 | C20 | C16 | C17 | 0.7° | 0.0° |
| C20 | C19 | C41 | C18 | 0.3° | 0.2° |
| C20 | C19 | C41 | H22 | 179.7° | 179.9° |
| C16 | C20 | C19 | C41 | 0.1° | 0.1° |
| C20 | C16 | C4 | C17 | 178.9° | 180.0° |
| C20 | C16 | C4 | C14 | 161.0° | 163.6° |
| C20 | C16 | C4 | C3 | 82.0° | 44.4° |
| C20 | C16 | C17 | C18 | 0.9° | 0.0° |
| C20 | C16 | C17 | C44 | 179.2° | 180.0° |
| C19 | C41 | C18 | H22 | 180.0° | 179.9° |
| C19 | C41 | C18 | C17 | 0.2° | 0.1° |
| C19 | C41 | C18 | F29 | 178.9° | 180.0° |
| C41 | C19 | C20 | H9 | 179.9° | 180.0° |
| O1 | C2 | C3 | C4 | 3.4° | 0.4° |
| O1 | C2 | C3 | N7 | 177.5° | 179.7° |
| O1 | C2 | C3 | C8 | 179.6° | 179.6° |
| O1 | C2 | N7 | H1 | 0.0° | 179.8° |
| O1 | C2 | N7 | H2 | 120.0° | 0.3° |
| C16 | C4 | C14 | C3 | 117.7° | 120.0° |
| C16 | C4 | C14 | C30 | 150.2° | 93.4° |
| C16 | C4 | C14 | C44 | 31.1° | 25.1° |
| C4 | C16 | C17 | C18 | 179.9° | 180.0° |
| C4 | C16 | C17 | C44 | 0.2° | 0.0° |
| C16 | C4 | C3 | C2 | 142.7° | 134.5° |
| C16 | C4 | C3 | C8 | 40.2° | 45.4° |
| C4 | C16 | C20 | H9 | 0.5° | 0.1° |
| C17 | C16 | C4 | C14 | 20.1° | 16.4° |
| C17 | C16 | C4 | C3 | 96.9° | 135.6° |
| C16 | C17 | C18 | C41 | 0.4° | 0.0° |
| C16 | C17 | C44 | C14 | 19.9° | 16.3° |
| C16 | C17 | C18 | C44 | 179.9° | 180.0° |
| C16 | C17 | C18 | F29 | 179.5° | 179.9° |
| C17 | C16 | C20 | H9 | 179.3° | 179.9° |
| C16 | C17 | C44 | H23 | 98.8° | 102.6° |
| C16 | C17 | C44 | H24 | 138.6° | 135.4° |
| C4 | C14 | C30 | C44 | 115.1° | 113.3° |
| C4 | C14 | C44 | C17 | 30.1° | 25.0° |
| C14 | C4 | C3 | C2 | 104.2° | 108.8° |
| C14 | C4 | C3 | C8 | 72.9° | 71.2° |
| C4 | C14 | C15 | H6 | 180.0° | 60.0° |
| C4 | C14 | C15 | H7 | 60.0° | 180.0° |
| C4 | C14 | C15 | H8 | 60.0° | 60.0° |
| C4 | C14 | C44 | H23 | 88.6° | 93.9° |
| C4 | C14 | C44 | H24 | 148.8° | 143.9° |
| C4 | C14 | C30 | H25 | 52.1° | 60.0° |
| C4 | C14 | C30 | H26 | 67.9° | 180.0° |
| C4 | C14 | C30 | H27 | 172.1° | 60.0° |
| C3 | C4 | C14 | C30 | 32.6° | 26.6° |
| C3 | C4 | C14 | C44 | 86.6° | 145.1° |
| C4 | C3 | C2 | C8 | 177.0° | 180.0° |
| C4 | C3 | C2 | N7 | 179.1° | 179.9° |
| C4 | C3 | C8 | N9 | 178.3° | 121.5° |
| C41 | C18 | C17 | F29 | 179.1° | 179.9° |
| C41 | C18 | C17 | C44 | 179.7° | 180.0° |
| C30 | C14 | C44 | C17 | 153.3° | 93.4° |
| C30 | C14 | C15 | H6 | 51.5° | 176.7° |
| C30 | C14 | C15 | H7 | 68.5° | 56.6° |
| C30 | C14 | C15 | H8 | 171.5° | 63.3° |
| C30 | C14 | C44 | H23 | 34.6° | 147.7° |
| C30 | C14 | C44 | H24 | 88.0° | 25.6° |
| C14 | C30 | H25 | H26 | 120.0° | 120.0° |
| C14 | C30 | H25 | H27 | 120.0° | 120.0° |
| C14 | C30 | H26 | H27 | 120.0° | 120.0° |
| C14 | C44 | C17 | C18 | 160.0° | 163.7° |
| C14 | C44 | C17 | H23 | 118.7° | 118.9° |
| C14 | C44 | C17 | H24 | 118.7° | 119.1° |
| C44 | C14 | C15 | H6 | 66.3° | 53.1° |
| C44 | C14 | C15 | H7 | 173.8° | 66.9° |
| C44 | C14 | C15 | H8 | 53.8° | 173.1° |
| C14 | C44 | H23 | H24 | 123.7° | 122.2° |
| C44 | C14 | C30 | H25 | 63.0° | 173.2° |
| C44 | C14 | C30 | H26 | 177.0° | 66.7° |
| C44 | C14 | C30 | H27 | 57.0° | 53.2° |
| C17 | C18 | C41 | H22 | 179.8° | 180.0° |
| C18 | C17 | C44 | H23 | 81.3° | 77.4° |
| C18 | C17 | C44 | H24 | 41.3° | 44.7° |
| C44 | C17 | C18 | F29 | 0.6° | 0.1° |
| C17 | C44 | H23 | H24 | 123.7° | 122.0° |
| F29 | C18 | C41 | H22 | 1.1° | 0.1° |
| C2 | C3 | C8 | N9 | 1.3° | 58.5° |
| C3 | C2 | N7 | H1 | 177.6° | 0.0° |
| C3 | C2 | N7 | H2 | 62.3° | 180.0° |
| N7 | C2 | C3 | C8 | 2.1° | 0.1° |
| C2 | N7 | H1 | H2 | 120.0° | 179.9° |
| H3 | C13 | H4 | H5 | 120.0° | 119.9° |
| H6 | C15 | H7 | H8 | 120.0° | 120.1° |
| H11 | C51 | C38 | H13 | 123.5° | 65.1° |
| H12 | C51 | C38 | H13 | 118.2° | 174.9° |
| H13 | C38 | C37 | H14 | 67.5° | 57.7° |
| H13 | C38 | C37 | H15 | 172.5° | 177.7° |
| H13 | C38 | C39 | H18 | 170.3° | 177.8° |
| H13 | C38 | C39 | H19 | 69.7° | 57.7° |
| H14 | C37 | C36 | H16 | 43.9° | 59.1° |
| H14 | C37 | C36 | H17 | 75.9° | 60.9° |
| H15 | C37 | C36 | H16 | 163.9° | 179.2° |
| H15 | C37 | C36 | H17 | 44.0° | 59.2° |
| H18 | C39 | C40 | H20 | 47.5° | 59.3° |
| H18 | C39 | C40 | H21 | 167.4° | 179.3° |
| H19 | C39 | C40 | H20 | 72.4° | 60.8° |
| H19 | C39 | C40 | H21 | 47.5° | 59.2° |
| H25 | C30 | H26 | H27 | 120.0° | 120.0° |
