MQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C29 | sing | 1.89Å | 1.89Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.51Å | 1.51Å | |
| C12 | N13 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N13 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C11 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N5 | sing | 1.40Å | 1.38Å | |
| N16 | C15 | sing | 1.47Å | 1.48Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| N16 | C25 | sing | 1.47Å | 1.48Å | |
| O19 | C4 | doub | 1.21Å | 1.22Å | |
| N5 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C21 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C2 | O20 | doub | 1.21Å | 1.23Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C2 | H28 | sing | 1.08Å | 1.08Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C7 | H30 | sing | 1.08Å | 1.08Å | |
| C8 | H31 | sing | 1.08Å | 1.08Å | |
| C9 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C29 | C28 | 119.3° | 120.0° |
| BR | C29 | C30 | 120.8° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.0° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C29 | C28 | H13 | 119.8° | 120.0° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C27 | C28 | H13 | 119.8° | 120.0° |
| C28 | C27 | H25 | 120.1° | 120.0° |
| C8 | C9 | C10 | 119.4° | 120.2° |
| C9 | C8 | C7 | 120.3° | 120.1° |
| C9 | C8 | H31 | 119.9° | 120.0° |
| C8 | C9 | H32 | 120.3° | 119.9° |
| C9 | C10 | C12 | 119.5° | 120.0° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C10 | C9 | H32 | 120.3° | 119.9° |
| C8 | C7 | C6 | 121.3° | 119.9° |
| C8 | C7 | H30 | 119.4° | 120.1° |
| C7 | C8 | H31 | 119.8° | 119.9° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C29 | C30 | H26 | 120.1° | 120.0° |
| C27 | C26 | C31 | 119.8° | 120.0° |
| C27 | C26 | C25 | 120.6° | 120.0° |
| C26 | C27 | H25 | 120.0° | 120.0° |
| C10 | C12 | N13 | 112.4° | 109.5° |
| C12 | C10 | C11 | 120.0° | 120.0° |
| C10 | C12 | H15 | 108.7° | 109.5° |
| C10 | C12 | H16 | 108.7° | 109.4° |
| C12 | N13 | C14 | 110.9° | 111.0° |
| C12 | N13 | C18 | 107.6° | 111.0° |
| N13 | C12 | H15 | 108.7° | 109.5° |
| N13 | C12 | H16 | 108.8° | 109.5° |
| C10 | C11 | C6 | 121.3° | 120.0° |
| C10 | C11 | H14 | 119.4° | 120.0° |
| C7 | C6 | C11 | 117.2° | 119.8° |
| C7 | C6 | N5 | 126.1° | 120.1° |
| C6 | C7 | H30 | 119.3° | 120.0° |
| N13 | C14 | C15 | 110.8° | 109.4° |
| C14 | N13 | C18 | 111.8° | 110.9° |
| N13 | C14 | H17 | 109.1° | 109.5° |
| N13 | C14 | H18 | 109.2° | 109.5° |
| C14 | C15 | N16 | 108.5° | 109.4° |
| C14 | C15 | H1 | 109.7° | 109.5° |
| C14 | C15 | H2 | 109.7° | 109.5° |
| C15 | C14 | H17 | 109.2° | 109.5° |
| C15 | C14 | H18 | 109.1° | 109.5° |
| N13 | C18 | C17 | 112.1° | 109.4° |
| N13 | C18 | H19 | 108.8° | 109.5° |
| N13 | C18 | H20 | 108.8° | 109.5° |
| C18 | C17 | N16 | 108.2° | 109.4° |
| C18 | C17 | H3 | 109.8° | 109.5° |
| C18 | C17 | H4 | 109.8° | 109.5° |
| C17 | C18 | H19 | 108.8° | 109.5° |
| C17 | C18 | H20 | 108.8° | 109.5° |
| C30 | C31 | C26 | 120.2° | 120.0° |
| C31 | C30 | H26 | 120.1° | 120.0° |
| C30 | C31 | H27 | 119.9° | 120.0° |
| C31 | C26 | C25 | 119.6° | 120.0° |
| C26 | C31 | H27 | 119.9° | 120.0° |
| C26 | C25 | N16 | 111.4° | 109.4° |
| C26 | C25 | H23 | 109.0° | 109.4° |
| C26 | C25 | H24 | 109.0° | 109.5° |
| C11 | C6 | N5 | 116.7° | 120.1° |
| C6 | C11 | H14 | 119.3° | 120.0° |
| C6 | N5 | C4 | 126.9° | 120.0° |
| C6 | N5 | H29 | 116.6° | 120.0° |
| C15 | N16 | C17 | 108.1° | 110.9° |
| C15 | N16 | C25 | 113.1° | 111.0° |
| N16 | C15 | H1 | 109.7° | 109.5° |
| N16 | C15 | H2 | 109.7° | 109.5° |
| C17 | N16 | C25 | 111.0° | 111.0° |
| N16 | C17 | H3 | 109.8° | 109.5° |
| N16 | C17 | H4 | 109.8° | 109.5° |
| N16 | C25 | H23 | 109.0° | 109.5° |
| N16 | C25 | H24 | 109.0° | 109.5° |
| O19 | C4 | N5 | 122.0° | 120.0° |
| O19 | C4 | C3 | 117.4° | 120.0° |
| N5 | C4 | C3 | 120.6° | 120.0° |
| C4 | N5 | H29 | 116.5° | 120.0° |
| C4 | C3 | C23 | 108.3° | 109.5° |
| C4 | C3 | C21 | 109.7° | 109.5° |
| C4 | C3 | C2 | 115.9° | 109.5° |
| C24 | C23 | C3 | 120.2° | 109.5° |
| C23 | C24 | H10 | 109.5° | 109.5° |
| C23 | C24 | H11 | 109.4° | 109.5° |
| C23 | C24 | H12 | 109.5° | 109.4° |
| C24 | C23 | H21 | 106.8° | 109.5° |
| C24 | C23 | H22 | 106.7° | 109.4° |
| C23 | C3 | C21 | 103.5° | 109.4° |
| C23 | C3 | C2 | 111.4° | 109.4° |
| C3 | C23 | H21 | 106.7° | 109.5° |
| C3 | C23 | H22 | 106.7° | 109.5° |
| C21 | C3 | C2 | 107.5° | 109.5° |
| C3 | C21 | C22 | 119.0° | 109.5° |
| C3 | C21 | H5 | 107.0° | 109.5° |
| C3 | C21 | H6 | 107.1° | 109.4° |
| C3 | C2 | O20 | 130.3° | 120.0° |
| C3 | C2 | H28 | 114.8° | 120.0° |
| C22 | C21 | H5 | 107.1° | 109.5° |
| C22 | C21 | H6 | 107.0° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.4° | 109.4° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| O20 | C2 | H28 | 114.9° | 120.0° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H7 | C22 | H9 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C29 | C28 | C30 | 179.9° | 179.7° |
| BR | C29 | C28 | C27 | 179.7° | 180.0° |
| BR | C29 | C30 | C31 | 180.0° | 179.9° |
| BR | C29 | C28 | H13 | 0.3° | 0.3° |
| BR | C29 | C30 | H26 | 0.0° | 0.2° |
| C29 | C28 | C27 | H13 | 180.0° | 179.7° |
| C29 | C28 | C27 | C26 | 0.3° | 0.1° |
| C28 | C29 | C30 | C31 | 0.1° | 0.5° |
| C29 | C28 | C27 | H25 | 179.7° | 180.0° |
| C28 | C29 | C30 | H26 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.4° | 0.3° |
| C28 | C27 | C26 | H25 | 180.0° | 179.9° |
| C28 | C27 | C26 | C31 | 0.0° | 0.0° |
| C28 | C27 | C26 | C25 | 179.4° | 179.8° |
| C8 | C9 | C10 | H32 | 180.0° | 179.4° |
| C9 | C8 | C7 | H31 | 180.0° | 179.7° |
| C8 | C9 | C10 | C12 | 179.5° | 179.8° |
| C8 | C9 | C10 | C11 | 0.2° | 0.6° |
| C9 | C8 | C7 | C6 | 0.0° | 0.3° |
| C9 | C8 | C7 | H30 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.1° | 0.5° |
| C9 | C10 | C12 | C11 | 179.3° | 179.6° |
| C9 | C10 | C12 | N13 | 100.4° | 89.7° |
| C9 | C10 | C11 | C6 | 0.3° | 0.3° |
| C9 | C10 | C11 | H14 | 179.7° | 179.7° |
| C9 | C10 | C12 | H15 | 139.2° | 30.4° |
| C9 | C10 | C12 | H16 | 20.1° | 150.3° |
| C10 | C9 | C8 | H31 | 179.9° | 179.8° |
| C8 | C7 | C6 | H30 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.1° | 0.0° |
| C8 | C7 | C6 | N5 | 180.0° | 180.0° |
| C7 | C8 | C9 | H32 | 179.9° | 180.0° |
| C29 | C30 | C31 | H26 | 180.0° | 179.6° |
| C29 | C30 | C31 | C26 | 0.2° | 0.4° |
| C30 | C29 | C28 | H13 | 179.6° | 180.0° |
| C29 | C30 | C31 | H27 | 179.7° | 179.6° |
| C27 | C26 | C31 | C30 | 0.3° | 0.2° |
| C27 | C26 | C31 | C25 | 179.4° | 179.7° |
| C27 | C26 | C25 | N16 | 35.6° | 89.7° |
| C26 | C27 | C28 | H13 | 179.7° | 179.8° |
| C27 | C26 | C25 | H23 | 84.6° | 30.3° |
| C27 | C26 | C25 | H24 | 155.9° | 150.3° |
| C27 | C26 | C31 | H27 | 179.7° | 179.8° |
| C10 | C12 | N13 | H15 | 120.4° | 120.1° |
| C10 | C12 | N13 | H16 | 120.4° | 120.0° |
| C10 | C12 | N13 | C14 | 73.7° | 170.0° |
| C10 | C12 | N13 | C18 | 163.6° | 66.2° |
| C12 | C10 | C11 | C6 | 179.6° | 180.0° |
| C12 | C10 | C11 | H14 | 0.4° | 0.1° |
| C10 | C12 | H15 | H16 | 118.6° | 119.9° |
| C12 | C10 | C9 | H32 | 0.5° | 0.3° |
| N13 | C12 | C10 | C11 | 80.3° | 89.9° |
| C12 | N13 | C14 | C18 | 120.2° | 123.9° |
| C12 | N13 | C14 | C15 | 171.8° | 176.8° |
| C12 | N13 | C18 | C17 | 173.4° | 176.8° |
| N13 | C12 | H15 | H16 | 118.7° | 120.0° |
| C12 | N13 | C14 | H17 | 51.5° | 56.9° |
| C12 | N13 | C14 | H18 | 68.0° | 63.2° |
| C12 | N13 | C18 | H19 | 66.2° | 63.2° |
| C12 | N13 | C18 | H20 | 53.0° | 56.8° |
| C10 | C11 | C6 | C7 | 0.3° | 0.1° |
| C10 | C11 | C6 | H14 | 180.0° | 179.9° |
| C10 | C11 | C6 | N5 | 179.8° | 179.9° |
| C11 | C10 | C12 | H15 | 40.1° | 150.0° |
| C11 | C10 | C12 | H16 | 159.3° | 30.1° |
| C11 | C10 | C9 | H32 | 179.8° | 180.0° |
| C7 | C6 | C11 | N5 | 179.9° | 180.0° |
| C7 | C6 | N5 | C4 | 0.3° | 35.1° |
| C7 | C6 | C11 | H14 | 179.7° | 180.0° |
| C7 | C6 | N5 | H29 | 179.6° | 144.9° |
| C6 | C7 | C8 | H31 | 180.0° | 180.0° |
| N13 | C14 | C15 | H17 | 120.2° | 119.9° |
| N13 | C14 | C15 | H18 | 120.2° | 120.0° |
| C14 | N13 | C18 | C17 | 51.3° | 59.3° |
| N13 | C14 | C15 | N16 | 58.9° | 58.4° |
| N13 | C14 | C15 | H1 | 178.8° | 178.4° |
| N13 | C14 | C15 | H2 | 60.9° | 61.6° |
| C14 | N13 | C12 | H15 | 165.9° | 70.0° |
| C14 | N13 | C12 | H16 | 46.7° | 50.0° |
| N13 | C14 | H17 | H18 | 119.4° | 120.1° |
| C14 | N13 | C18 | H19 | 171.7° | 60.6° |
| C14 | N13 | C18 | H20 | 69.1° | 179.3° |
| C15 | C14 | N13 | C18 | 51.6° | 59.3° |
| C14 | C15 | N16 | H1 | 119.8° | 120.0° |
| C14 | C15 | N16 | H2 | 119.9° | 120.0° |
| C14 | C15 | N16 | C17 | 65.9° | 59.3° |
| C14 | C15 | N16 | C25 | 170.8° | 176.8° |
| C14 | C15 | H1 | H2 | 120.5° | 120.0° |
| C15 | C14 | H17 | H18 | 119.4° | 120.1° |
| N13 | C18 | C17 | H19 | 120.4° | 119.9° |
| N13 | C18 | C17 | H20 | 120.4° | 120.0° |
| N13 | C18 | C17 | N16 | 57.6° | 58.4° |
| N13 | C18 | C17 | H3 | 62.2° | 61.6° |
| N13 | C18 | C17 | H4 | 177.4° | 178.4° |
| C18 | N13 | C12 | H15 | 43.2° | 53.8° |
| C18 | N13 | C12 | H16 | 75.9° | 173.8° |
| C18 | N13 | C14 | H17 | 68.6° | 179.2° |
| C18 | N13 | C14 | H18 | 171.8° | 60.7° |
| N13 | C18 | H19 | H20 | 118.8° | 120.1° |
| C18 | C17 | N16 | C15 | 64.7° | 59.3° |
| C18 | C17 | N16 | H3 | 119.8° | 119.9° |
| C18 | C17 | N16 | H4 | 119.8° | 120.0° |
| C18 | C17 | N16 | C25 | 170.8° | 176.9° |
| C18 | C17 | H3 | H4 | 120.6° | 120.0° |
| C17 | C18 | H19 | H20 | 118.8° | 120.1° |
| C30 | C31 | C26 | H27 | 180.0° | 180.0° |
| C30 | C31 | C26 | C25 | 179.7° | 179.9° |
| C31 | C26 | C25 | N16 | 143.8° | 90.0° |
| C31 | C26 | C25 | H23 | 96.0° | 150.0° |
| C31 | C26 | C25 | H24 | 23.5° | 30.0° |
| C31 | C26 | C27 | H25 | 180.0° | 180.0° |
| C26 | C31 | C30 | H26 | 179.7° | 180.0° |
| C26 | C25 | N16 | C15 | 68.9° | 170.0° |
| C26 | C25 | N16 | C17 | 169.5° | 66.2° |
| C26 | C25 | N16 | H23 | 120.3° | 119.9° |
| C26 | C25 | N16 | H24 | 120.3° | 120.0° |
| C26 | C25 | H23 | H24 | 119.2° | 120.0° |
| C25 | C26 | C27 | H25 | 0.6° | 0.3° |
| C25 | C26 | C31 | H27 | 0.3° | 0.0° |
| C11 | C6 | N5 | C4 | 179.8° | 144.9° |
| C11 | C6 | N5 | H29 | 0.3° | 35.1° |
| C11 | C6 | C7 | H30 | 179.9° | 180.0° |
| C6 | N5 | C4 | O19 | 1.1° | 4.7° |
| C6 | N5 | C4 | H29 | 180.0° | 179.9° |
| C6 | N5 | C4 | C3 | 179.0° | 175.4° |
| N5 | C6 | C11 | H14 | 0.2° | 0.0° |
| N5 | C6 | C7 | H30 | 0.0° | 0.0° |
| C15 | N16 | C17 | C25 | 124.5° | 123.8° |
| N16 | C15 | H1 | H2 | 120.4° | 120.1° |
| C15 | N16 | C17 | H3 | 55.1° | 60.6° |
| C15 | N16 | C17 | H4 | 175.6° | 179.3° |
| N16 | C15 | C14 | H17 | 61.3° | 178.3° |
| N16 | C15 | C14 | H18 | 179.1° | 61.6° |
| C15 | N16 | C25 | H23 | 170.8° | 70.1° |
| C15 | N16 | C25 | H24 | 51.4° | 50.0° |
| C17 | N16 | C15 | H1 | 174.2° | 179.3° |
| C17 | N16 | C15 | H2 | 53.9° | 60.6° |
| N16 | C17 | H3 | H4 | 120.6° | 120.1° |
| N16 | C17 | C18 | H19 | 178.0° | 61.5° |
| N16 | C17 | C18 | H20 | 62.8° | 178.4° |
| C17 | N16 | C25 | H23 | 49.2° | 53.7° |
| C17 | N16 | C25 | H24 | 70.3° | 173.8° |
| C25 | N16 | C15 | H1 | 51.0° | 56.9° |
| C25 | N16 | C15 | H2 | 69.3° | 63.2° |
| C25 | N16 | C17 | H3 | 69.4° | 63.2° |
| C25 | N16 | C17 | H4 | 51.1° | 56.9° |
| N16 | C25 | H23 | H24 | 119.1° | 120.1° |
| O19 | C4 | N5 | C3 | 178.0° | 180.0° |
| O19 | C4 | C3 | C23 | 115.0° | 0.0° |
| O19 | C4 | C3 | C21 | 2.8° | 120.0° |
| O19 | C4 | C3 | C2 | 119.1° | 120.0° |
| O19 | C4 | N5 | H29 | 178.9° | 175.4° |
| N5 | C4 | C3 | C23 | 63.0° | 180.0° |
| N5 | C4 | C3 | C21 | 175.3° | 60.0° |
| N5 | C4 | C3 | C2 | 62.9° | 60.0° |
| C4 | C3 | C23 | C24 | 76.2° | 180.0° |
| C4 | C3 | C23 | C21 | 116.3° | 120.0° |
| C4 | C3 | C23 | C2 | 128.5° | 120.0° |
| C4 | C3 | C21 | C2 | 126.7° | 120.0° |
| C4 | C3 | C21 | C22 | 57.0° | 60.0° |
| C4 | C3 | C2 | O20 | 131.1° | 120.0° |
| C4 | C3 | C21 | H5 | 64.4° | 180.0° |
| C4 | C3 | C21 | H6 | 178.4° | 60.0° |
| C4 | C3 | C23 | H21 | 45.3° | 60.0° |
| C4 | C3 | C23 | H22 | 162.3° | 60.0° |
| C4 | C3 | C2 | H28 | 48.9° | 60.0° |
| C3 | C4 | N5 | H29 | 0.9° | 4.6° |
| C24 | C23 | C3 | H21 | 121.5° | 120.1° |
| C24 | C23 | C3 | H22 | 121.5° | 120.0° |
| C24 | C23 | C3 | C21 | 167.5° | 60.0° |
| C24 | C23 | C3 | C2 | 52.3° | 60.0° |
| C23 | C24 | H10 | H11 | 120.0° | 120.0° |
| C23 | C24 | H10 | H12 | 120.0° | 120.0° |
| C23 | C24 | H11 | H12 | 120.0° | 120.0° |
| C24 | C23 | H21 | H22 | 115.2° | 120.0° |
| C23 | C3 | C21 | C2 | 117.9° | 120.0° |
| C23 | C3 | C21 | C22 | 172.4° | 60.0° |
| C23 | C3 | C2 | O20 | 6.8° | 0.0° |
| C23 | C3 | C21 | H5 | 51.0° | 60.0° |
| C23 | C3 | C21 | H6 | 66.3° | 180.0° |
| C3 | C23 | C24 | H10 | 180.0° | 60.0° |
| C3 | C23 | C24 | H11 | 60.0° | 180.0° |
| C3 | C23 | C24 | H12 | 60.0° | 60.0° |
| C3 | C23 | H21 | H22 | 115.2° | 120.0° |
| C23 | C3 | C2 | H28 | 173.3° | 180.0° |
| C3 | C21 | C22 | H5 | 121.3° | 120.0° |
| C3 | C21 | C22 | H6 | 121.4° | 120.0° |
| C21 | C3 | C2 | O20 | 105.9° | 120.0° |
| C3 | C21 | H5 | H6 | 115.7° | 119.9° |
| C3 | C21 | C22 | H7 | 180.0° | 60.0° |
| C3 | C21 | C22 | H8 | 60.0° | 60.0° |
| C3 | C21 | C22 | H9 | 60.0° | 179.9° |
| C21 | C3 | C23 | H21 | 71.0° | 60.0° |
| C21 | C3 | C23 | H22 | 46.0° | 180.0° |
| C21 | C3 | C2 | H28 | 74.0° | 60.0° |
| C2 | C3 | C21 | C22 | 69.7° | 180.0° |
| C3 | C2 | O20 | H28 | 180.0° | 180.0° |
| C2 | C3 | C21 | H5 | 168.9° | 60.0° |
| C2 | C3 | C21 | H6 | 51.6° | 60.0° |
| C2 | C3 | C23 | H21 | 173.8° | 180.0° |
| C2 | C3 | C23 | H22 | 69.2° | 60.0° |
| C22 | C21 | H5 | H6 | 115.7° | 120.0° |
| C21 | C22 | H7 | H8 | 120.0° | 119.9° |
| C21 | C22 | H7 | H9 | 120.0° | 120.1° |
| C21 | C22 | H8 | H9 | 120.0° | 120.0° |
| H1 | C15 | C14 | H17 | 58.6° | 61.7° |
| H1 | C15 | C14 | H18 | 61.0° | 58.4° |
| H2 | C15 | C14 | H17 | 178.9° | 58.4° |
| H2 | C15 | C14 | H18 | 59.3° | 178.5° |
| H3 | C17 | C18 | H19 | 58.2° | 178.5° |
| H3 | C17 | C18 | H20 | 177.4° | 58.5° |
| H4 | C17 | C18 | H19 | 62.2° | 58.5° |
| H4 | C17 | C18 | H20 | 57.0° | 61.6° |
| H5 | C21 | C22 | H7 | 58.6° | 60.0° |
| H5 | C21 | C22 | H8 | 178.7° | 180.0° |
| H5 | C21 | C22 | H9 | 61.4° | 60.1° |
| H6 | C21 | C22 | H7 | 58.6° | 179.9° |
| H6 | C21 | C22 | H8 | 61.4° | 60.0° |
| H6 | C21 | C22 | H9 | 178.6° | 60.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.1° |
| H10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H10 | C24 | C23 | H21 | 58.5° | 180.0° |
| H10 | C24 | C23 | H22 | 58.5° | 60.0° |
| H11 | C24 | C23 | H21 | 61.5° | 60.0° |
| H11 | C24 | C23 | H22 | 178.5° | 60.0° |
| H12 | C24 | C23 | H21 | 178.5° | 60.0° |
| H12 | C24 | C23 | H22 | 61.5° | NaN° |
| H13 | C28 | C27 | H25 | 0.3° | 0.3° |
| H26 | C30 | C31 | H27 | 0.3° | 0.1° |
| H30 | C7 | C8 | H31 | 0.0° | 0.0° |
| H31 | C8 | C9 | H32 | 0.1° | 0.3° |
