ILD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C8 | N12 | sing | 1.47Å | 1.47Å | |
| C9 | O10 | sing | 1.46Å | 1.46Å | |
| O10 | C11 | sing | 1.34Å | 1.37Å | |
| C11 | N12 | sing | 1.34Å | 1.33Å | |
| C11 | O25 | doub | 1.21Å | 1.24Å | |
| N12 | C13 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | O26 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C27 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C15 | O29 | sing | 1.44Å | 1.43Å | |
| C16 | C17 | sing | 1.55Å | 1.52Å | |
| C16 | C30 | sing | 1.53Å | 1.59Å | |
| C17 | C18 | sing | 1.54Å | 1.57Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | O29 | sing | 1.43Å | 1.43Å | |
| C18 | C31 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C19 | O33 | sing | 1.44Å | 1.45Å | |
| C20 | C21 | sing | 1.55Å | 1.56Å | |
| C21 | C22 | sing | 1.54Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | O33 | sing | 1.44Å | 1.45Å | |
| C22 | C34 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O36 | sing | 1.43Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.4° | 120.0° |
| C2 | C1 | C9 | 122.7° | 120.0° |
| C1 | C2 | C3 | 123.4° | 119.9° |
| C1 | C2 | H2 | 118.3° | 120.0° |
| C6 | C1 | C9 | 118.9° | 120.0° |
| C1 | C6 | C5 | 117.6° | 120.0° |
| C1 | C6 | H6 | 121.2° | 119.9° |
| C1 | C9 | C8 | 114.6° | 110.5° |
| C1 | C9 | O10 | 107.6° | 110.5° |
| C1 | C9 | H9 | 105.0° | 110.5° |
| C2 | C3 | C4 | 117.7° | 120.1° |
| C3 | C2 | H2 | 118.3° | 120.1° |
| C2 | C3 | H3 | 121.2° | 120.0° |
| C3 | C4 | C5 | 119.4° | 119.9° |
| C4 | C3 | H3 | 121.2° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | 123.5° | 120.0° |
| C5 | C4 | H4 | 120.3° | 120.1° |
| C4 | C5 | H5 | 118.3° | 119.9° |
| C6 | C5 | H5 | 118.2° | 120.0° |
| C5 | C6 | H6 | 121.2° | 120.1° |
| C7 | C8 | C9 | 114.8° | 110.6° |
| C7 | C8 | N12 | 110.2° | 110.6° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C8 | C7 | H7A | 109.5° | 109.4° |
| C8 | C7 | H7B | 109.5° | 109.4° |
| C7 | C8 | H8 | 102.9° | 110.5° |
| C9 | C8 | N12 | 100.5° | 103.8° |
| C8 | C9 | O10 | 101.1° | 104.0° |
| C9 | C8 | H8 | 112.3° | 110.5° |
| C8 | C9 | H9 | 111.2° | 110.5° |
| C8 | N12 | C11 | 109.1° | 108.9° |
| C8 | N12 | C13 | 121.4° | 125.6° |
| N12 | C8 | H8 | 116.7° | 110.7° |
| C9 | O10 | C11 | 106.9° | 109.5° |
| O10 | C9 | H9 | 117.8° | 110.6° |
| O10 | C11 | N12 | 111.3° | 113.8° |
| O10 | C11 | O25 | 121.5° | 123.1° |
| N12 | C11 | O25 | 127.1° | 123.1° |
| C11 | N12 | C13 | 129.1° | 125.5° |
| N12 | C13 | C14 | 123.3° | 120.0° |
| N12 | C13 | O26 | 118.2° | 120.0° |
| C14 | C13 | O26 | 118.3° | 120.0° |
| C13 | C14 | C15 | 107.7° | 109.5° |
| C13 | C14 | C27 | 111.4° | 109.5° |
| C13 | C14 | H14 | 112.2° | 109.4° |
| C15 | C14 | C27 | 116.6° | 109.5° |
| C14 | C15 | C16 | 111.8° | 110.3° |
| C14 | C15 | O29 | 112.8° | 110.3° |
| C15 | C14 | H14 | 106.5° | 109.5° |
| C14 | C15 | H15 | 104.6° | 110.3° |
| C14 | C27 | C28 | 107.6° | 109.5° |
| C27 | C14 | H14 | 102.3° | 109.5° |
| C14 | C27 | H27 | 110.1° | 109.5° |
| C14 | C27 | H27A | 110.1° | 109.5° |
| C16 | C15 | O29 | 106.4° | 105.2° |
| C15 | C16 | C17 | 101.6° | 100.9° |
| C15 | C16 | C30 | 116.1° | 111.1° |
| C16 | C15 | H15 | 111.2° | 110.3° |
| C15 | C16 | H16 | 111.4° | 111.1° |
| C15 | O29 | C18 | 110.1° | 110.0° |
| O29 | C15 | H15 | 110.2° | 110.4° |
| C17 | C16 | C30 | 112.0° | 111.1° |
| C16 | C17 | C18 | 101.3° | 102.2° |
| C17 | C16 | H16 | 115.5° | 111.1° |
| C16 | C17 | H17 | 112.3° | 110.8° |
| C16 | C17 | H17A | 112.3° | 110.9° |
| C30 | C16 | H16 | 100.9° | 111.1° |
| C16 | C30 | H30 | 109.5° | 109.5° |
| C16 | C30 | H30A | 109.5° | 109.4° |
| C16 | C30 | H30B | 109.5° | 109.5° |
| C17 | C18 | C19 | 111.9° | 109.8° |
| C17 | C18 | O29 | 106.1° | 107.6° |
| C17 | C18 | C31 | 112.1° | 109.8° |
| C18 | C17 | H17 | 112.3° | 110.8° |
| C18 | C17 | H17A | 112.3° | 110.9° |
| C19 | C18 | O29 | 109.3° | 109.8° |
| C19 | C18 | C31 | 109.6° | 109.8° |
| C18 | C19 | C20 | 117.1° | 110.6° |
| C18 | C19 | O33 | 108.8° | 110.6° |
| C18 | C19 | H19 | 103.2° | 110.6° |
| O29 | C18 | C31 | 107.6° | 109.9° |
| C18 | C31 | C32 | 113.9° | 109.5° |
| C18 | C31 | H31 | 108.0° | 109.5° |
| C18 | C31 | H31A | 108.0° | 109.5° |
| C20 | C19 | O33 | 104.2° | 103.5° |
| C19 | C20 | C21 | 107.2° | 102.1° |
| C20 | C19 | H19 | 107.8° | 110.7° |
| C19 | C20 | H20 | 110.2° | 110.9° |
| C19 | C20 | H20A | 110.2° | 110.9° |
| C19 | O33 | C22 | 109.0° | 107.0° |
| O33 | C19 | H19 | 116.3° | 110.7° |
| C20 | C21 | C22 | 102.4° | 104.2° |
| C21 | C20 | H20 | 110.2° | 110.9° |
| C21 | C20 | H20A | 110.2° | 110.9° |
| C20 | C21 | H21 | 111.9° | 110.5° |
| C20 | C21 | H21A | 111.9° | 110.4° |
| C21 | C22 | C23 | 113.1° | 109.9° |
| C21 | C22 | O33 | 107.6° | 107.3° |
| C21 | C22 | C34 | 108.2° | 109.8° |
| C22 | C21 | H21 | 111.9° | 110.5° |
| C22 | C21 | H21A | 111.9° | 110.5° |
| C23 | C22 | O33 | 108.6° | 109.9° |
| C23 | C22 | C34 | 109.0° | 109.9° |
| C22 | C23 | C24 | 116.6° | 109.5° |
| C22 | C23 | O36 | 113.3° | 109.5° |
| C22 | C23 | H23 | 100.8° | 109.4° |
| O33 | C22 | C34 | 110.4° | 110.0° |
| C22 | C34 | C35 | 114.2° | 109.5° |
| C22 | C34 | H34 | 107.9° | 109.4° |
| C22 | C34 | H34A | 107.9° | 109.5° |
| C24 | C23 | O36 | 107.9° | 109.5° |
| C24 | C23 | H23 | 107.1° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.5° |
| O36 | C23 | H23 | 110.8° | 109.5° |
| C23 | O36 | HO36 | 109.5° | 114.0° |
| C28 | C27 | H27 | 110.1° | 109.4° |
| C28 | C27 | H27A | 110.1° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.5° |
| C32 | C31 | H31 | 108.0° | 109.5° |
| C32 | C31 | H31A | 108.0° | 109.4° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.4° | 109.4° |
| C35 | C34 | H34 | 107.9° | 109.5° |
| C35 | C34 | H34A | 107.9° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.5° | 109.5° |
| C34 | C35 | H35B | 109.4° | 109.5° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H17 | C17 | H17A | 106.5° | 111.0° |
| H20 | C20 | H20A | 108.7° | 110.9° |
| H21 | C21 | H21A | 106.9° | 110.5° |
| H24 | C24 | H24A | 109.4° | 109.4° |
| H24 | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H27 | C27 | H27A | 108.8° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31 | C31 | H31A | 110.9° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H34 | C34 | H34A | 111.0° | 109.4° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C9 | 178.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | C5 | 2.9° | 0.0° |
| C2 | C1 | C9 | C8 | 86.6° | 100.0° |
| C2 | C1 | C9 | O10 | 161.9° | 145.4° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C6 | H6 | 177.1° | 180.0° |
| C2 | C1 | C9 | H9 | 35.7° | 22.6° |
| C6 | C1 | C2 | C3 | 1.4° | 0.0° |
| C1 | C6 | C5 | C4 | 3.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C9 | C8 | 95.6° | 80.3° |
| C6 | C1 | C9 | O10 | 15.9° | 34.3° |
| C6 | C1 | C2 | H2 | 178.6° | 180.0° |
| C1 | C6 | C5 | H5 | 177.0° | 180.0° |
| C6 | C1 | C9 | H9 | 142.1° | 157.1° |
| C9 | C1 | C2 | C3 | 179.3° | 179.7° |
| C9 | C1 | C6 | C5 | 179.1° | 179.7° |
| C1 | C9 | C8 | C7 | 28.7° | 0.1° |
| C1 | C9 | C8 | O10 | 115.4° | 118.6° |
| C1 | C9 | C8 | H9 | 118.9° | 122.7° |
| C1 | C9 | C8 | N12 | 146.9° | 118.6° |
| C1 | C9 | O10 | H9 | 118.3° | 122.7° |
| C1 | C9 | O10 | C11 | 150.5° | 118.6° |
| C9 | C1 | C2 | H2 | 0.7° | 0.3° |
| C9 | C1 | C6 | H6 | 0.9° | 0.3° |
| C1 | C9 | C8 | H8 | 88.4° | 122.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C4 | C3 | C2 | H2 | 179.7° | 179.9° |
| C3 | C4 | C5 | H5 | 178.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 177.0° | 180.0° |
| C6 | C5 | C4 | H4 | 178.7° | 179.9° |
| C7 | C8 | C9 | N12 | 118.2° | 118.6° |
| C7 | C8 | C9 | H8 | 117.1° | 122.7° |
| C7 | C8 | N12 | H8 | 116.9° | 122.8° |
| C7 | C8 | C9 | O10 | 86.7° | 118.6° |
| C7 | C8 | N12 | C11 | 97.6° | 118.6° |
| C7 | C8 | N12 | C13 | 75.5° | 61.4° |
| C8 | C7 | H7 | H7A | 120.0° | 120.0° |
| C8 | C7 | H7 | H7B | 120.0° | 120.0° |
| C8 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | C8 | C9 | H9 | 147.6° | 122.7° |
| C9 | C8 | N12 | H8 | 121.6° | 118.6° |
| C8 | C9 | O10 | H9 | 121.3° | 118.7° |
| C8 | C9 | O10 | C11 | 30.0° | 0.0° |
| C9 | C8 | N12 | C11 | 23.9° | 0.0° |
| C9 | C8 | N12 | C13 | 163.0° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 60.0° |
| C9 | C8 | C7 | H7A | 60.0° | 180.0° |
| C9 | C8 | C7 | H7B | 60.0° | 60.0° |
| N12 | C8 | C9 | O10 | 31.5° | 0.0° |
| C8 | N12 | C11 | O10 | 5.8° | 0.0° |
| C8 | N12 | C11 | C13 | 172.4° | 180.0° |
| C8 | N12 | C11 | O25 | 176.2° | 180.0° |
| C8 | N12 | C13 | C14 | 178.3° | 174.8° |
| C8 | N12 | C13 | O26 | 2.8° | 5.2° |
| N12 | C8 | C7 | H7 | 67.4° | 54.4° |
| N12 | C8 | C7 | H7A | 172.6° | 65.6° |
| N12 | C8 | C7 | H7B | 52.6° | 174.4° |
| N12 | C8 | C9 | H9 | 94.3° | 118.7° |
| C9 | O10 | C11 | N12 | 16.5° | 0.0° |
| C9 | O10 | C11 | O25 | 161.7° | 180.0° |
| O10 | C9 | C8 | H8 | 156.3° | 118.7° |
| O10 | C11 | N12 | O25 | 178.0° | 180.0° |
| O10 | C11 | N12 | C13 | 178.2° | 180.0° |
| C11 | O10 | C9 | H9 | 91.3° | 118.7° |
| C11 | N12 | C13 | C14 | 10.1° | 5.2° |
| C11 | N12 | C13 | O26 | 174.4° | 174.8° |
| C11 | N12 | C8 | H8 | 145.5° | 118.6° |
| O25 | C11 | N12 | C13 | 3.7° | 0.0° |
| N12 | C13 | C14 | O26 | 175.6° | 180.0° |
| N12 | C13 | C14 | C15 | 113.8° | 107.1° |
| N12 | C13 | C14 | C27 | 117.1° | 132.9° |
| C13 | N12 | C8 | H8 | 41.4° | 61.4° |
| N12 | C13 | C14 | H14 | 3.1° | 12.9° |
| C13 | C14 | C15 | C27 | 126.1° | 120.0° |
| C13 | C14 | C15 | H14 | 120.5° | 119.9° |
| C13 | C14 | C27 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 141.3° | 64.8° |
| C13 | C14 | C15 | O29 | 98.9° | 179.4° |
| C13 | C14 | C27 | C28 | 62.1° | 63.4° |
| C13 | C14 | C15 | H15 | 20.8° | 57.2° |
| C13 | C14 | C27 | H27 | 177.9° | 176.6° |
| C13 | C14 | C27 | H27A | 57.9° | 56.6° |
| O26 | C13 | C14 | C15 | 61.8° | 72.9° |
| O26 | C13 | C14 | C27 | 67.3° | 47.1° |
| O26 | C13 | C14 | H14 | 178.6° | 167.1° |
| C15 | C14 | C27 | H14 | 115.7° | 120.0° |
| C14 | C15 | C16 | O29 | 123.5° | 118.9° |
| C14 | C15 | C16 | H15 | 116.5° | 122.1° |
| C14 | C15 | O29 | H15 | 116.5° | 122.1° |
| C14 | C15 | C16 | C17 | 156.3° | 155.4° |
| C14 | C15 | C16 | C30 | 81.9° | 86.7° |
| C14 | C15 | O29 | C18 | 137.2° | 143.4° |
| C15 | C14 | C27 | C28 | 173.7° | 176.6° |
| C14 | C15 | C16 | H16 | 32.8° | 37.5° |
| C15 | C14 | C27 | H27 | 53.7° | 56.6° |
| C15 | C14 | C27 | H27A | 66.3° | 63.4° |
| C27 | C14 | C15 | C16 | 92.6° | 175.2° |
| C27 | C14 | C15 | O29 | 27.2° | 59.4° |
| C14 | C27 | C28 | H27 | 120.0° | 120.0° |
| C14 | C27 | C28 | H27A | 120.0° | 120.0° |
| C27 | C14 | C15 | H15 | 146.9° | 62.8° |
| C14 | C27 | H27 | H27A | 120.8° | 120.0° |
| C14 | C27 | C28 | H28 | 180.0° | 176.2° |
| C14 | C27 | C28 | H28A | 60.0° | 56.2° |
| C14 | C27 | C28 | H28B | 60.0° | 63.8° |
| C16 | C15 | O29 | H15 | 120.6° | 118.9° |
| C15 | C16 | C17 | C30 | 124.5° | 117.9° |
| C15 | C16 | C17 | H16 | 120.7° | 117.9° |
| C15 | C16 | C30 | H16 | 120.5° | 124.2° |
| C15 | C16 | C17 | C18 | 36.8° | 34.1° |
| C16 | C15 | O29 | C18 | 14.3° | 24.4° |
| C16 | C15 | C14 | H14 | 20.8° | 55.1° |
| C15 | C16 | C17 | H17 | 156.8° | 152.3° |
| C15 | C16 | C17 | H17A | 83.2° | 84.1° |
| C15 | C16 | C30 | H30 | 180.0° | 58.7° |
| C15 | C16 | C30 | H30A | 60.0° | 178.7° |
| C15 | C16 | C30 | H30B | 60.0° | 61.3° |
| O29 | C15 | C16 | C17 | 32.8° | 36.4° |
| O29 | C15 | C16 | C30 | 154.6° | 154.3° |
| C15 | O29 | C18 | C17 | 9.9° | 1.7° |
| C15 | O29 | C18 | C19 | 130.7° | 117.8° |
| C15 | O29 | C18 | C31 | 110.3° | 121.3° |
| O29 | C15 | C14 | H14 | 140.6° | 60.6° |
| O29 | C15 | C16 | H16 | 90.7° | 81.5° |
| C17 | C16 | C30 | H16 | 123.4° | 124.3° |
| C16 | C17 | C18 | H17 | 120.0° | 118.1° |
| C16 | C17 | C18 | H17A | 120.0° | 118.2° |
| C16 | C17 | C18 | C19 | 149.2° | 140.9° |
| C16 | C17 | C18 | O29 | 30.0° | 21.4° |
| C16 | C17 | C18 | C31 | 87.2° | 98.3° |
| C17 | C16 | C15 | H15 | 87.2° | 82.6° |
| C16 | C17 | H17 | H17A | 123.3° | 123.6° |
| C17 | C16 | C30 | H30 | 63.9° | 52.8° |
| C17 | C16 | C30 | H30A | 176.0° | 67.2° |
| C17 | C16 | C30 | H30B | 56.1° | 172.8° |
| C30 | C16 | C17 | C18 | 161.4° | 152.0° |
| C30 | C16 | C15 | H15 | 34.6° | 35.3° |
| C30 | C16 | C17 | H17 | 78.7° | 89.8° |
| C30 | C16 | C17 | H17A | 41.4° | 33.8° |
| C16 | C30 | H30 | H30A | 120.0° | 120.0° |
| C16 | C30 | H30 | H30B | 120.0° | 120.0° |
| C16 | C30 | H30A | H30B | 120.0° | 120.0° |
| C17 | C18 | C19 | O29 | 117.2° | 118.1° |
| C17 | C18 | C19 | C31 | 125.0° | 120.9° |
| C17 | C18 | O29 | C31 | 120.2° | 119.6° |
| C17 | C18 | C19 | C20 | 56.5° | 175.0° |
| C17 | C18 | C19 | O33 | 61.1° | 60.9° |
| C17 | C18 | C31 | C32 | 171.4° | 54.3° |
| C18 | C17 | C16 | H16 | 83.9° | 83.7° |
| C18 | C17 | H17 | H17A | 123.3° | 123.6° |
| C17 | C18 | C19 | H19 | 174.8° | 62.1° |
| C17 | C18 | C31 | H31 | 51.4° | 65.6° |
| C17 | C18 | C31 | H31A | 68.6° | 174.3° |
| C19 | C18 | O29 | C31 | 119.0° | 120.9° |
| C18 | C19 | C20 | O33 | 120.1° | 118.5° |
| C18 | C19 | C20 | H19 | 115.7° | 122.9° |
| C18 | C19 | O33 | H19 | 115.9° | 122.9° |
| C18 | C19 | C20 | C21 | 144.6° | 155.5° |
| C18 | C19 | O33 | C22 | 157.7° | 158.6° |
| C19 | C18 | C31 | C32 | 63.7° | 175.2° |
| C19 | C18 | C17 | H17 | 90.9° | 101.0° |
| C19 | C18 | C17 | H17A | 29.2° | 22.7° |
| C18 | C19 | C20 | H20 | 95.4° | 86.3° |
| C18 | C19 | C20 | H20A | 24.6° | 37.3° |
| C19 | C18 | C31 | H31 | 176.3° | 55.2° |
| C19 | C18 | C31 | H31A | 56.3° | 64.8° |
| O29 | C18 | C19 | C20 | 173.8° | 66.9° |
| O29 | C18 | C19 | O33 | 56.1° | 179.0° |
| O29 | C18 | C31 | C32 | 55.1° | 63.9° |
| C18 | O29 | C15 | H15 | 106.4° | 94.5° |
| O29 | C18 | C17 | H17 | 150.0° | 139.5° |
| O29 | C18 | C17 | H17A | 90.0° | 96.8° |
| O29 | C18 | C19 | H19 | 68.0° | 56.0° |
| O29 | C18 | C31 | H31 | 64.9° | 176.2° |
| O29 | C18 | C31 | H31A | 175.1° | 56.1° |
| C31 | C18 | C19 | C20 | 68.5° | 54.1° |
| C31 | C18 | C19 | O33 | 173.9° | 60.0° |
| C18 | C31 | C32 | H31 | 120.0° | 120.0° |
| C18 | C31 | C32 | H31A | 120.0° | 120.0° |
| C31 | C18 | C17 | H17 | 32.8° | 19.9° |
| C31 | C18 | C17 | H17A | 152.8° | 143.5° |
| C31 | C18 | C19 | H19 | 49.8° | 177.0° |
| C18 | C31 | H31 | H31A | 118.2° | 120.0° |
| C18 | C31 | C32 | H32 | 180.0° | 60.0° |
| C18 | C31 | C32 | H32A | 60.0° | 179.9° |
| C18 | C31 | C32 | H32B | 60.0° | 60.0° |
| C20 | C19 | O33 | H19 | 118.5° | 118.6° |
| C19 | C20 | C21 | H20 | 120.0° | 118.1° |
| C19 | C20 | C21 | H20A | 120.0° | 118.2° |
| C19 | C20 | C21 | C22 | 8.6° | 20.9° |
| C20 | C19 | O33 | C22 | 32.1° | 40.1° |
| C19 | C20 | H20 | H20A | 120.9° | 123.7° |
| C19 | C20 | C21 | H21 | 111.4° | 97.8° |
| C19 | C20 | C21 | H21A | 128.6° | 139.6° |
| O33 | C19 | C20 | C21 | 24.5° | 37.1° |
| C19 | O33 | C22 | C21 | 27.3° | 26.5° |
| C19 | O33 | C22 | C23 | 95.5° | 92.9° |
| C19 | O33 | C22 | C34 | 145.1° | 146.0° |
| O33 | C19 | C20 | H20 | 144.5° | 155.2° |
| O33 | C19 | C20 | H20A | 95.5° | 81.1° |
| C20 | C21 | C22 | H21 | 120.0° | 118.7° |
| C20 | C21 | C22 | H21A | 120.0° | 118.6° |
| C20 | C21 | C22 | C23 | 109.5° | 117.4° |
| C20 | C21 | C22 | O33 | 10.4° | 2.0° |
| C20 | C21 | C22 | C34 | 129.7° | 121.5° |
| C21 | C20 | C19 | H19 | 99.7° | 81.6° |
| C21 | C20 | H20 | H20A | 120.9° | 123.7° |
| C20 | C21 | H21 | H21A | 122.8° | 122.6° |
| C21 | C22 | C23 | O33 | 119.4° | 117.9° |
| C21 | C22 | C23 | C34 | 120.4° | 121.0° |
| C21 | C22 | O33 | C34 | 117.8° | 119.4° |
| C21 | C22 | C23 | C24 | 56.4° | 176.5° |
| C21 | C22 | C23 | O36 | 69.7° | 63.4° |
| C21 | C22 | C34 | C35 | 66.2° | 62.5° |
| C22 | C21 | C20 | H20 | 128.6° | 139.1° |
| C22 | C21 | C20 | H20A | 111.4° | 97.3° |
| C22 | C21 | H21 | H21A | 122.8° | 122.7° |
| C21 | C22 | C23 | H23 | 171.8° | 56.5° |
| C21 | C22 | C34 | H34 | 173.8° | 177.5° |
| C21 | C22 | C34 | H34A | 53.8° | 57.5° |
| C23 | C22 | O33 | C34 | 119.4° | 121.1° |
| C22 | C23 | C24 | O36 | 128.8° | 120.0° |
| C22 | C23 | C24 | H23 | 111.9° | 119.9° |
| C22 | C23 | O36 | H23 | 112.5° | 120.0° |
| C23 | C22 | C34 | C35 | 170.5° | 176.5° |
| C23 | C22 | C21 | H21 | 10.5° | 1.3° |
| C23 | C22 | C21 | H21A | 130.5° | 123.9° |
| C22 | C23 | C24 | H24 | 180.0° | 59.0° |
| C22 | C23 | C24 | H24A | 60.0° | 61.0° |
| C22 | C23 | C24 | H24B | 60.0° | 179.0° |
| C23 | C22 | C34 | H34 | 50.5° | 56.5° |
| C23 | C22 | C34 | H34A | 69.5° | 63.5° |
| C22 | C23 | O36 | HO36 | 180.0° | 180.0° |
| O33 | C22 | C23 | C24 | 175.8° | 58.6° |
| O33 | C22 | C23 | O36 | 49.7° | 178.7° |
| O33 | C22 | C34 | C35 | 51.3° | 55.4° |
| C22 | O33 | C19 | H19 | 86.4° | 78.5° |
| O33 | C22 | C21 | H21 | 130.4° | 120.7° |
| O33 | C22 | C21 | H21A | 109.6° | 116.6° |
| O33 | C22 | C23 | H23 | 68.8° | 61.3° |
| O33 | C22 | C34 | H34 | 68.6° | 64.6° |
| O33 | C22 | C34 | H34A | 171.3° | 175.4° |
| C34 | C22 | C23 | C24 | 64.0° | 62.5° |
| C34 | C22 | C23 | O36 | 169.9° | 57.5° |
| C22 | C34 | C35 | H34 | 120.0° | 120.0° |
| C22 | C34 | C35 | H34A | 120.0° | 120.1° |
| C34 | C22 | C21 | H21 | 110.3° | 119.7° |
| C34 | C22 | C21 | H21A | 9.7° | 2.9° |
| C34 | C22 | C23 | H23 | 51.5° | 177.5° |
| C22 | C34 | H34 | H34A | 118.1° | 120.0° |
| C22 | C34 | C35 | H35 | 180.0° | 56.1° |
| C22 | C34 | C35 | H35A | 60.0° | 64.0° |
| C22 | C34 | C35 | H35B | 60.0° | 176.0° |
| C24 | C23 | O36 | H23 | 116.9° | 120.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.1° |
| C23 | C24 | H24 | H24B | 120.0° | 120.0° |
| C23 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | C23 | O36 | HO36 | 49.4° | 60.0° |
| O36 | C23 | C24 | H24 | 51.2° | 61.1° |
| O36 | C23 | C24 | H24A | 68.8° | 178.9° |
| O36 | C23 | C24 | H24B | 171.2° | 58.9° |
| C28 | C27 | C14 | H14 | 58.0° | 56.6° |
| C28 | C27 | H27 | H27A | 120.7° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C32 | C31 | H31 | H31A | 118.2° | 120.0° |
| C31 | C32 | H32 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C35 | C34 | H34 | H34A | 118.1° | 120.0° |
| C34 | C35 | H35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35B | 120.0° | 120.0° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H3 | C3 | C4 | H4 | 0.4° | 0.1° |
| H4 | C4 | C5 | H5 | 1.3° | 0.1° |
| H5 | C5 | C6 | H6 | 3.0° | 0.1° |
| H7 | C7 | H7A | H7B | 120.0° | 120.1° |
| H7 | C7 | C8 | H8 | 57.7° | 177.3° |
| H7A | C7 | C8 | H8 | 62.3° | 57.3° |
| H7B | C7 | C8 | H8 | 177.7° | 62.7° |
| H8 | C8 | C9 | H9 | 30.5° | 0.0° |
| H14 | C14 | C15 | H15 | 99.7° | 177.2° |
| H14 | C14 | C27 | H27 | 62.0° | 63.4° |
| H14 | C14 | C27 | H27A | 178.0° | 176.6° |
| H15 | C15 | C16 | H16 | 149.3° | 159.5° |
| H16 | C16 | C17 | H17 | 36.1° | 34.4° |
| H16 | C16 | C17 | H17A | 156.1° | 158.1° |
| H16 | C16 | C30 | H30 | 59.4° | 177.1° |
| H16 | C16 | C30 | H30A | 60.6° | 57.1° |
| H16 | C16 | C30 | H30B | 179.4° | 62.9° |
| H19 | C19 | C20 | H20 | 20.3° | 36.6° |
| H19 | C19 | C20 | H20A | 140.3° | 160.2° |
| H20 | C20 | C21 | H21 | 8.6° | 20.4° |
| H20 | C20 | C21 | H21A | 111.4° | 102.3° |
| H20A | C20 | C21 | H21 | 128.6° | 144.0° |
| H20A | C20 | C21 | H21A | 8.6° | 21.4° |
| H23 | C23 | C24 | H24 | 68.1° | 178.9° |
| H23 | C23 | C24 | H24A | 171.9° | 58.9° |
| H23 | C23 | C24 | H24B | 51.9° | 61.1° |
| H23 | C23 | O36 | HO36 | 67.5° | 60.1° |
| H24 | C24 | H24A | H24B | 120.0° | 119.9° |
| H27 | C27 | C28 | H28 | 60.0° | 63.8° |
| H27 | C27 | C28 | H28A | 180.0° | 176.2° |
| H27 | C27 | C28 | H28B | 60.0° | 56.2° |
| H27A | C27 | C28 | H28 | 60.0° | 56.2° |
| H27A | C27 | C28 | H28A | 60.0° | 63.8° |
| H27A | C27 | C28 | H28B | 180.0° | 176.2° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 60.0° | 60.0° |
| H31 | C31 | C32 | H32A | 180.0° | 60.1° |
| H31 | C31 | C32 | H32B | 60.0° | 179.9° |
| H31A | C31 | C32 | H32 | 60.0° | 180.0° |
| H31A | C31 | C32 | H32A | 60.0° | 60.0° |
| H31A | C31 | C32 | H32B | 180.0° | 60.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H34 | C34 | C35 | H35 | 60.0° | 176.0° |
| H34 | C34 | C35 | H35A | 180.0° | 56.0° |
| H34 | C34 | C35 | H35B | 60.0° | 64.0° |
| H34A | C34 | C35 | H35 | 60.0° | 64.0° |
| H34A | C34 | C35 | H35A | 60.0° | 175.9° |
| H34A | C34 | C35 | H35B | 180.0° | 55.9° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
