JGQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | O28 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | O28 | sing | 1.43Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C14 | N13 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | N13 | sing | 1.47Å | 1.56Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| N13 | C12 | sing | 1.47Å | 1.55Å | |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C7 | C1 | sing | 1.46Å | 1.53Å | Aromatic |
| O27 | C25 | doub | 1.21Å | 1.31Å | |
| C22 | C25 | sing | 1.48Å | 1.52Å | |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| N9 | C2 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | C6 | sing | 1.51Å | 1.56Å | |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | O26 | sing | 1.35Å | 1.21Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | O10 | sing | 1.36Å | 1.39Å | |
| O10 | C31 | sing | 1.43Å | 1.46Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C7 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.08Å | 1.08Å | |
| N9 | H26 | sing | 0.97Å | 1.00Å | |
| O26 | H28 | sing | 0.97Å | 0.95Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | O28 | 110.3° | 109.5° |
| C30 | C29 | H18 | 109.3° | 109.4° |
| C30 | C29 | H19 | 109.3° | 109.5° |
| C29 | C30 | H20 | 109.5° | 109.5° |
| C29 | C30 | H21 | 109.5° | 109.5° |
| C29 | C30 | H22 | 109.5° | 109.5° |
| C29 | O28 | C16 | 114.1° | 114.0° |
| O28 | C29 | H18 | 109.3° | 109.4° |
| O28 | C29 | H19 | 109.2° | 109.5° |
| C15 | C16 | C17 | 109.6° | 109.2° |
| C15 | C16 | O28 | 112.5° | 109.5° |
| C16 | C15 | C14 | 112.2° | 109.3° |
| C16 | C15 | H8 | 108.8° | 109.5° |
| C16 | C15 | H9 | 108.8° | 109.5° |
| C15 | C16 | H10 | 107.9° | 109.5° |
| C17 | C16 | O28 | 108.7° | 109.5° |
| C16 | C17 | C18 | 107.5° | 109.3° |
| C17 | C16 | H10 | 108.5° | 109.5° |
| C16 | C17 | H11 | 110.0° | 109.5° |
| C16 | C17 | H12 | 110.0° | 109.5° |
| O28 | C16 | H10 | 109.5° | 109.6° |
| C15 | C14 | N13 | 112.5° | 109.5° |
| C15 | C14 | H6 | 108.7° | 109.5° |
| C15 | C14 | H7 | 108.7° | 109.5° |
| C14 | C15 | H8 | 108.8° | 109.5° |
| C14 | C15 | H9 | 108.8° | 109.5° |
| C17 | C18 | N13 | 113.9° | 109.5° |
| C17 | C18 | C19 | 109.6° | 109.4° |
| C18 | C17 | H11 | 110.0° | 109.5° |
| C18 | C17 | H12 | 110.0° | 109.5° |
| C17 | C18 | H13 | 108.4° | 109.5° |
| C14 | N13 | C18 | 110.1° | 111.2° |
| C14 | N13 | C12 | 109.9° | 111.0° |
| N13 | C14 | H6 | 108.7° | 109.4° |
| N13 | C14 | H7 | 108.7° | 109.5° |
| C23 | C24 | C19 | 119.5° | 120.2° |
| C24 | C23 | C22 | 120.2° | 119.8° |
| C24 | C23 | H16 | 119.9° | 120.1° |
| C23 | C24 | H17 | 120.3° | 119.9° |
| C24 | C19 | C18 | 116.9° | 119.9° |
| C24 | C19 | C20 | 120.2° | 120.3° |
| C19 | C24 | H17 | 120.3° | 119.9° |
| N13 | C18 | C19 | 108.0° | 109.5° |
| C18 | N13 | C12 | 118.4° | 111.0° |
| N13 | C18 | H13 | 108.2° | 109.5° |
| C18 | C19 | C20 | 122.6° | 119.8° |
| C19 | C18 | H13 | 108.5° | 109.5° |
| N13 | C12 | C6 | 111.9° | 109.5° |
| N13 | C12 | H4 | 108.9° | 109.5° |
| N13 | C12 | H5 | 108.9° | 109.4° |
| C23 | C22 | C25 | 116.1° | 120.2° |
| C23 | C22 | C21 | 120.5° | 119.7° |
| C22 | C23 | H16 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.2° | 120.2° |
| C19 | C20 | H14 | 119.9° | 120.0° |
| C7 | C8 | N9 | 112.5° | 110.0° |
| C8 | C7 | C1 | 103.9° | 107.0° |
| C8 | C7 | H24 | 128.1° | 126.5° |
| C7 | C8 | H25 | 123.7° | 125.0° |
| C8 | N9 | C2 | 110.3° | 109.8° |
| N9 | C8 | H25 | 123.8° | 125.0° |
| C8 | N9 | H26 | 124.9° | 125.1° |
| C7 | C1 | C2 | 104.5° | 106.1° |
| C7 | C1 | C6 | 132.5° | 133.9° |
| C1 | C7 | H24 | 128.1° | 126.5° |
| O27 | C25 | C22 | 116.3° | 120.0° |
| O27 | C25 | O26 | 118.1° | 120.0° |
| C25 | C22 | C21 | 123.4° | 120.1° |
| C22 | C25 | O26 | 125.6° | 120.0° |
| C22 | C21 | C20 | 119.4° | 119.8° |
| C22 | C21 | H15 | 120.3° | 120.1° |
| C21 | C20 | H14 | 119.9° | 119.9° |
| C20 | C21 | H15 | 120.3° | 120.1° |
| N9 | C2 | C1 | 108.8° | 107.2° |
| N9 | C2 | C3 | 128.3° | 133.3° |
| C2 | N9 | H26 | 124.8° | 125.1° |
| C2 | C1 | C6 | 123.0° | 120.0° |
| C1 | C2 | C3 | 122.9° | 119.5° |
| C1 | C6 | C12 | 123.0° | 120.2° |
| C1 | C6 | C5 | 114.7° | 119.6° |
| C2 | C3 | C11 | 123.4° | 120.0° |
| C2 | C3 | C4 | 113.8° | 120.0° |
| C12 | C6 | C5 | 122.3° | 120.2° |
| C6 | C12 | H4 | 108.8° | 109.5° |
| C6 | C12 | H5 | 108.9° | 109.4° |
| C6 | C5 | C4 | 122.7° | 120.2° |
| C6 | C5 | O10 | 117.2° | 119.9° |
| C11 | C3 | C4 | 122.8° | 120.0° |
| C3 | C11 | H1 | 109.5° | 109.5° |
| C3 | C11 | H2 | 109.4° | 109.4° |
| C3 | C11 | H3 | 109.5° | 109.5° |
| C3 | C4 | C5 | 122.8° | 120.6° |
| C3 | C4 | H23 | 118.6° | 119.7° |
| C25 | O26 | H28 | 109.5° | 117.0° |
| C4 | C5 | O10 | 120.1° | 119.9° |
| C5 | C4 | H23 | 118.6° | 119.6° |
| C5 | O10 | C31 | 124.0° | 117.0° |
| O10 | C31 | H29 | 109.5° | 109.5° |
| O10 | C31 | H30 | 109.5° | 109.4° |
| O10 | C31 | H31 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.4° | 109.5° |
| H20 | C30 | H21 | 109.4° | 109.4° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.4° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | O28 | H18 | 120.2° | 119.9° |
| C30 | C29 | O28 | H19 | 120.2° | 120.0° |
| C30 | C29 | O28 | C16 | 170.3° | 180.0° |
| C30 | C29 | H18 | H19 | 119.6° | 120.0° |
| C29 | C30 | H20 | H21 | 120.0° | 120.0° |
| C29 | C30 | H20 | H22 | 120.0° | 120.1° |
| C29 | C30 | H21 | H22 | 120.0° | 120.1° |
| C29 | O28 | C16 | C15 | 124.2° | 90.0° |
| C29 | O28 | C16 | C17 | 114.2° | 150.3° |
| C29 | O28 | C16 | H10 | 4.2° | 30.2° |
| O28 | C29 | H18 | H19 | 119.6° | 120.0° |
| O28 | C29 | C30 | H20 | 180.0° | 59.9° |
| O28 | C29 | C30 | H21 | 60.0° | 60.0° |
| O28 | C29 | C30 | H22 | 60.0° | 180.0° |
| C15 | C16 | C17 | O28 | 123.4° | 119.9° |
| C15 | C16 | C17 | H10 | 117.6° | 119.9° |
| C15 | C16 | O28 | H10 | 120.0° | 120.2° |
| C16 | C15 | C14 | H8 | 120.4° | 120.0° |
| C16 | C15 | C14 | H9 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 58.4° | 57.6° |
| C16 | C15 | C14 | N13 | 53.7° | 59.2° |
| C16 | C15 | C14 | H6 | 174.1° | 179.1° |
| C16 | C15 | C14 | H7 | 66.7° | 60.8° |
| C16 | C15 | H8 | H9 | 118.8° | 120.1° |
| C15 | C16 | C17 | H11 | 178.2° | 177.6° |
| C15 | C16 | C17 | H12 | 61.3° | 62.3° |
| C17 | C16 | O28 | H10 | 118.4° | 120.2° |
| C17 | C16 | C15 | C14 | 57.2° | 57.6° |
| C16 | C17 | C18 | H11 | 119.7° | 119.9° |
| C16 | C17 | C18 | H12 | 119.7° | 120.0° |
| C16 | C17 | C18 | N13 | 59.5° | 59.2° |
| C16 | C17 | C18 | C19 | 179.3° | 179.2° |
| C17 | C16 | C15 | H8 | 63.2° | 177.6° |
| C17 | C16 | C15 | H9 | 177.6° | 62.3° |
| C16 | C17 | H11 | H12 | 120.9° | 120.1° |
| C16 | C17 | C18 | H13 | 61.0° | 60.8° |
| O28 | C16 | C15 | C14 | 63.8° | 62.3° |
| O28 | C16 | C17 | C18 | 64.9° | 62.2° |
| O28 | C16 | C15 | H8 | 175.8° | 57.7° |
| O28 | C16 | C15 | H9 | 56.6° | 177.8° |
| O28 | C16 | C17 | H11 | 54.8° | 57.7° |
| O28 | C16 | C17 | H12 | 175.4° | 177.8° |
| C16 | O28 | C29 | H18 | 50.2° | 60.1° |
| C16 | O28 | C29 | H19 | 69.5° | 60.0° |
| C15 | C14 | N13 | H6 | 120.4° | 120.0° |
| C15 | C14 | N13 | H7 | 120.4° | 120.0° |
| C15 | C14 | N13 | C18 | 51.0° | 61.8° |
| C15 | C14 | N13 | C12 | 176.7° | 174.2° |
| C15 | C14 | H6 | H7 | 118.6° | 120.0° |
| C14 | C15 | H8 | H9 | 118.8° | 120.1° |
| C14 | C15 | C16 | H10 | 175.2° | 177.5° |
| C17 | C18 | N13 | C14 | 55.9° | 61.8° |
| C17 | C18 | C19 | C24 | 64.8° | 79.7° |
| C17 | C18 | N13 | C19 | 122.0° | 120.0° |
| C17 | C18 | N13 | H13 | 120.7° | 120.0° |
| C17 | C18 | C19 | H13 | 118.2° | 120.0° |
| C17 | C18 | N13 | C12 | 176.4° | 174.2° |
| C17 | C18 | C19 | C20 | 121.3° | 100.1° |
| C18 | C17 | C16 | H10 | 176.1° | 177.5° |
| C18 | C17 | H11 | H12 | 120.9° | 120.1° |
| C14 | N13 | C18 | C12 | 127.7° | 124.1° |
| C14 | N13 | C18 | C19 | 177.9° | 178.2° |
| C14 | N13 | C12 | C6 | 65.1° | 66.1° |
| C14 | N13 | C12 | H4 | 55.2° | 174.0° |
| C14 | N13 | C12 | H5 | 174.5° | 53.9° |
| N13 | C14 | H6 | H7 | 118.6° | 120.0° |
| N13 | C14 | C15 | H8 | 66.7° | 179.2° |
| N13 | C14 | C15 | H9 | 174.1° | 60.8° |
| C14 | N13 | C18 | H13 | 64.8° | 58.2° |
| C23 | C24 | C19 | H17 | 180.0° | 179.4° |
| C23 | C24 | C19 | C18 | 176.2° | 179.7° |
| C24 | C23 | C22 | H16 | 180.0° | 179.8° |
| C23 | C24 | C19 | C20 | 2.1° | 0.5° |
| C24 | C23 | C22 | C25 | 179.7° | 179.7° |
| C24 | C23 | C22 | C21 | 0.4° | 0.2° |
| C24 | C19 | C18 | N13 | 59.8° | 40.3° |
| C24 | C19 | C18 | C20 | 173.9° | 179.8° |
| C19 | C24 | C23 | C22 | 1.3° | 0.5° |
| C24 | C19 | C20 | C21 | 2.1° | 0.2° |
| C24 | C19 | C18 | H13 | 176.9° | 160.3° |
| C24 | C19 | C20 | H14 | 177.9° | 179.7° |
| C19 | C24 | C23 | H16 | 178.7° | 179.7° |
| N13 | C18 | C19 | H13 | 117.1° | 120.0° |
| N13 | C18 | C19 | C20 | 114.0° | 139.9° |
| C18 | N13 | C12 | C6 | 167.1° | 169.8° |
| C18 | N13 | C12 | H4 | 72.5° | 49.8° |
| C18 | N13 | C12 | H5 | 46.8° | 70.3° |
| C18 | N13 | C14 | H6 | 171.5° | 178.2° |
| C18 | N13 | C14 | H7 | 69.4° | 58.2° |
| N13 | C18 | C17 | H11 | 179.3° | 179.2° |
| N13 | C18 | C17 | H12 | 60.1° | 60.8° |
| C19 | C18 | N13 | C12 | 54.4° | 54.2° |
| C18 | C19 | C20 | C21 | 175.7° | 180.0° |
| C19 | C18 | C17 | H11 | 59.6° | 60.9° |
| C19 | C18 | C17 | H12 | 61.0° | 59.2° |
| C18 | C19 | C20 | H14 | 4.3° | 0.1° |
| C18 | C19 | C24 | H17 | 3.8° | 0.3° |
| N13 | C12 | C6 | C1 | 85.0° | 90.0° |
| N13 | C12 | C6 | H4 | 120.4° | 120.0° |
| N13 | C12 | C6 | H5 | 120.4° | 119.9° |
| N13 | C12 | C6 | C5 | 93.3° | 90.0° |
| N13 | C12 | H4 | H5 | 118.9° | 120.0° |
| C12 | N13 | C14 | H6 | 56.3° | 54.2° |
| C12 | N13 | C14 | H7 | 62.9° | 65.8° |
| C12 | N13 | C18 | H13 | 62.9° | 65.8° |
| C23 | C22 | C25 | O27 | 4.3° | 180.0° |
| C23 | C22 | C25 | C21 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.1° |
| C23 | C22 | C25 | O26 | 176.5° | 0.0° |
| C23 | C22 | C21 | H15 | 179.7° | 180.0° |
| C22 | C23 | C24 | H17 | 178.7° | 180.0° |
| C19 | C20 | C21 | C22 | 1.1° | 0.1° |
| C19 | C20 | C21 | H14 | 180.0° | 179.9° |
| C20 | C19 | C18 | H13 | 3.1° | 19.9° |
| C19 | C20 | C21 | H15 | 178.9° | 180.0° |
| C20 | C19 | C24 | H17 | 177.9° | 179.9° |
| C7 | C8 | N9 | H25 | 180.0° | 179.7° |
| C8 | C7 | C1 | H24 | 180.0° | 179.9° |
| C7 | C8 | N9 | C2 | 1.6° | 0.4° |
| C8 | C7 | C1 | C2 | 0.2° | 0.1° |
| C8 | C7 | C1 | C6 | 178.1° | 179.7° |
| C7 | C8 | N9 | H26 | 178.4° | 180.0° |
| N9 | C8 | C7 | C1 | 0.8° | 0.3° |
| C8 | N9 | C2 | H26 | 180.0° | 179.6° |
| C8 | N9 | C2 | C1 | 1.7° | 0.4° |
| C8 | N9 | C2 | C3 | 178.3° | 179.6° |
| N9 | C8 | C7 | H24 | 179.2° | 179.8° |
| C7 | C1 | C2 | N9 | 1.1° | 0.2° |
| C7 | C1 | C2 | C6 | 178.5° | 179.8° |
| C7 | C1 | C2 | C3 | 178.9° | 179.8° |
| C7 | C1 | C6 | C12 | 2.2° | 0.2° |
| C7 | C1 | C6 | C5 | 179.5° | 179.7° |
| C1 | C7 | C8 | H25 | 179.2° | 180.0° |
| O27 | C25 | C22 | O26 | 179.1° | 179.9° |
| O27 | C25 | C22 | C21 | 175.8° | 0.1° |
| O27 | C25 | O26 | H28 | 0.0° | 0.0° |
| C25 | C22 | C21 | C20 | 179.8° | 180.0° |
| C25 | C22 | C21 | H15 | 0.2° | 0.0° |
| C25 | C22 | C23 | H16 | 0.4° | 0.1° |
| C22 | C25 | O26 | H28 | 179.1° | 180.0° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C21 | C22 | C25 | O26 | 3.4° | 180.0° |
| C22 | C21 | C20 | H14 | 178.9° | 180.0° |
| C21 | C22 | C23 | H16 | 179.6° | 180.0° |
| N9 | C2 | C1 | C3 | 180.0° | 180.0° |
| N9 | C2 | C1 | C6 | 177.4° | 180.0° |
| N9 | C2 | C3 | C11 | 3.1° | 0.0° |
| N9 | C2 | C3 | C4 | 177.0° | 180.0° |
| C2 | N9 | C8 | H25 | 178.4° | 179.9° |
| C2 | C1 | C6 | C12 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 1.4° | 0.0° |
| C1 | C2 | C3 | C11 | 176.9° | 179.9° |
| C1 | C2 | C3 | C4 | 3.0° | 0.0° |
| C2 | C1 | C7 | H24 | 179.7° | 180.0° |
| C1 | C2 | N9 | H26 | 178.3° | 180.0° |
| C6 | C1 | C2 | C3 | 2.6° | 0.0° |
| C1 | C6 | C12 | C5 | 178.2° | 180.0° |
| C1 | C6 | C5 | C4 | 1.0° | 0.0° |
| C1 | C6 | C5 | O10 | 178.7° | 180.0° |
| C1 | C6 | C12 | H4 | 154.7° | 150.0° |
| C1 | C6 | C12 | H5 | 35.4° | 29.9° |
| C6 | C1 | C7 | H24 | 1.9° | 0.2° |
| C2 | C3 | C11 | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.6° | 0.0° |
| C2 | C3 | C11 | H1 | 90.0° | 90.0° |
| C2 | C3 | C11 | H2 | 150.0° | 150.0° |
| C2 | C3 | C11 | H3 | 30.0° | 30.0° |
| C2 | C3 | C4 | H23 | 177.3° | 180.0° |
| C3 | C2 | N9 | H26 | 1.7° | 0.0° |
| C12 | C6 | C5 | C4 | 179.4° | 180.0° |
| C12 | C6 | C5 | O10 | 2.9° | 0.0° |
| C6 | C12 | H4 | H5 | 118.9° | 120.0° |
| C6 | C5 | C4 | C3 | 1.8° | 0.0° |
| C6 | C5 | C4 | O10 | 177.7° | 180.0° |
| C6 | C5 | O10 | C31 | 169.2° | 180.0° |
| C5 | C6 | C12 | H4 | 27.1° | 30.0° |
| C5 | C6 | C12 | H5 | 146.4° | 150.0° |
| C6 | C5 | C4 | H23 | 178.2° | 180.0° |
| C11 | C3 | C4 | C5 | 177.3° | 180.0° |
| C3 | C11 | H1 | H2 | 120.0° | 119.9° |
| C3 | C11 | H1 | H3 | 120.0° | 120.0° |
| C3 | C11 | H2 | H3 | 120.0° | 119.9° |
| C11 | C3 | C4 | H23 | 2.7° | 0.1° |
| C3 | C4 | C5 | H23 | 180.0° | 180.0° |
| C3 | C4 | C5 | O10 | 179.5° | 180.0° |
| C4 | C3 | C11 | H1 | 90.0° | 90.0° |
| C4 | C3 | C11 | H2 | 30.0° | 30.1° |
| C4 | C3 | C11 | H3 | 150.0° | 150.0° |
| C4 | C5 | O10 | C31 | 13.0° | 0.0° |
| O10 | C5 | C4 | H23 | 0.5° | 0.0° |
| C5 | O10 | C31 | H29 | 180.0° | 180.0° |
| C5 | O10 | C31 | H30 | 60.0° | 60.0° |
| C5 | O10 | C31 | H31 | 60.0° | 60.0° |
| O10 | C31 | H29 | H30 | 120.0° | 120.0° |
| O10 | C31 | H29 | H31 | 120.0° | 120.0° |
| O10 | C31 | H30 | H31 | 120.0° | 120.0° |
| H1 | C11 | H2 | H3 | 120.0° | 120.1° |
| H6 | C14 | C15 | H8 | 53.7° | 60.9° |
| H6 | C14 | C15 | H9 | 65.5° | 59.2° |
| H7 | C14 | C15 | H8 | 172.9° | 59.1° |
| H7 | C14 | C15 | H9 | 53.7° | 179.2° |
| H8 | C15 | C16 | H10 | 54.9° | 62.5° |
| H9 | C15 | C16 | H10 | 64.4° | 57.6° |
| H10 | C16 | C17 | H11 | 64.2° | 62.5° |
| H10 | C16 | C17 | H12 | 56.4° | 57.6° |
| H11 | C17 | C18 | H13 | 58.7° | 59.1° |
| H12 | C17 | C18 | H13 | 179.3° | 179.2° |
| H14 | C20 | C21 | H15 | 1.1° | 0.1° |
| H16 | C23 | C24 | H17 | 1.3° | 0.3° |
| H18 | C29 | C30 | H20 | 59.8° | 60.0° |
| H18 | C29 | C30 | H21 | 60.1° | 180.0° |
| H18 | C29 | C30 | H22 | 179.8° | 60.0° |
| H19 | C29 | C30 | H20 | 59.9° | 180.0° |
| H19 | C29 | C30 | H21 | 179.8° | 60.0° |
| H19 | C29 | C30 | H22 | 60.1° | 60.0° |
| H20 | C30 | H21 | H22 | 120.0° | 119.9° |
| H24 | C7 | C8 | H25 | 0.8° | 0.1° |
| H25 | C8 | N9 | H26 | 1.6° | 0.3° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
