NQD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | doub | 1.33Å | 1.32Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C06 | C08 | sing | 1.47Å | 1.54Å | |
| C02 | C11 | doub | 1.31Å | 1.34Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C08 | O09 | doub | 1.22Å | 1.25Å | |
| C08 | O10 | sing | 1.35Å | 1.26Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | doub | 1.31Å | 1.34Å | |
| O31 | C25 | sing | 1.36Å | 1.39Å | |
| C26 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C27 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.54Å | |
| O29 | C19 | sing | 1.43Å | 1.41Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C21 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| O10 | H37 | sing | 0.97Å | 0.95Å | |
| O31 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 124.7° | 120.0° |
| C05 | C04 | C03 | 109.0° | 109.5° |
| C05 | C04 | H9 | 109.6° | 109.5° |
| C05 | C04 | H10 | 109.6° | 109.5° |
| C04 | C05 | H11 | 117.6° | 120.0° |
| C05 | C06 | C07 | 117.3° | 120.0° |
| C05 | C06 | C08 | 124.3° | 120.0° |
| C06 | C05 | H11 | 117.7° | 120.0° |
| C07 | C06 | C08 | 118.3° | 120.0° |
| C06 | C07 | H12 | 109.5° | 109.4° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C04 | C03 | C02 | 113.2° | 109.5° |
| C04 | C03 | H7 | 108.5° | 109.5° |
| C04 | C03 | H8 | 108.5° | 109.5° |
| C03 | C04 | H9 | 109.6° | 109.5° |
| C03 | C04 | H10 | 109.6° | 109.5° |
| C03 | C02 | C11 | 119.1° | 120.0° |
| C03 | C02 | C01 | 120.3° | 120.0° |
| C02 | C03 | H7 | 108.5° | 109.5° |
| C02 | C03 | H8 | 108.5° | 109.5° |
| C06 | C08 | O09 | 119.3° | 119.9° |
| C06 | C08 | O10 | 122.7° | 120.0° |
| C11 | C02 | C01 | 120.6° | 120.0° |
| C02 | C11 | C12 | 121.7° | 120.0° |
| C02 | C11 | H3 | 119.2° | 120.0° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C11 | C12 | C13 | 104.2° | 109.5° |
| C11 | C12 | H1 | 110.8° | 109.5° |
| C11 | C12 | H2 | 110.8° | 109.5° |
| C12 | C11 | H3 | 119.2° | 120.0° |
| O09 | C08 | O10 | 118.0° | 120.0° |
| C08 | O10 | H37 | 109.5° | 117.0° |
| C12 | C13 | C14 | 115.9° | 109.5° |
| C13 | C12 | H1 | 110.8° | 109.5° |
| C13 | C12 | H2 | 110.8° | 109.5° |
| C12 | C13 | H15 | 107.8° | 109.5° |
| C12 | C13 | H16 | 107.9° | 109.5° |
| C13 | C14 | C15 | 121.6° | 120.0° |
| C13 | C14 | C16 | 116.8° | 120.0° |
| C14 | C13 | H15 | 107.8° | 109.5° |
| C14 | C13 | H16 | 107.8° | 109.4° |
| C15 | C14 | C16 | 121.6° | 120.0° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C16 | C17 | 124.9° | 120.0° |
| C14 | C16 | H20 | 117.6° | 120.0° |
| O31 | C25 | C26 | 121.0° | 120.1° |
| O31 | C25 | C24 | 118.4° | 120.0° |
| C25 | O31 | H38 | 109.5° | 114.0° |
| C25 | C26 | C27 | 119.7° | 119.9° |
| C26 | C25 | C24 | 120.5° | 119.9° |
| C25 | C26 | H33 | 120.1° | 120.1° |
| C26 | C27 | C30 | 119.7° | 119.9° |
| C26 | C27 | C28 | 119.7° | 120.3° |
| C27 | C26 | H33 | 120.1° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.3° |
| C25 | C24 | H32 | 120.0° | 119.9° |
| C30 | C27 | C28 | 120.7° | 119.9° |
| C27 | C30 | H34 | 109.5° | 109.5° |
| C27 | C30 | H35 | 109.5° | 109.4° |
| C27 | C30 | H36 | 109.5° | 109.4° |
| C27 | C28 | C23 | 119.7° | 119.8° |
| C27 | C28 | O29 | 119.3° | 118.4° |
| C16 | C17 | C18 | 107.5° | 109.5° |
| C17 | C16 | H20 | 117.6° | 120.0° |
| C16 | C17 | H21 | 110.0° | 109.5° |
| C16 | C17 | H22 | 110.0° | 109.5° |
| C24 | C23 | C28 | 120.3° | 119.9° |
| C24 | C23 | C22 | 115.7° | 118.7° |
| C23 | C24 | H32 | 120.0° | 119.8° |
| C23 | C28 | O29 | 121.0° | 121.7° |
| C28 | C23 | C22 | 124.1° | 121.4° |
| C28 | O29 | C19 | 111.0° | 117.9° |
| C17 | C18 | C19 | 117.9° | 109.5° |
| C18 | C17 | H21 | 110.0° | 109.5° |
| C18 | C17 | H22 | 110.0° | 109.4° |
| C17 | C18 | H23 | 107.3° | 109.5° |
| C17 | C18 | H24 | 107.3° | 109.5° |
| C23 | C22 | C21 | 110.0° | 109.7° |
| C23 | C22 | H30 | 109.3° | 109.5° |
| C23 | C22 | H31 | 109.3° | 109.4° |
| O29 | C19 | C18 | 89.5° | 109.7° |
| O29 | C19 | C21 | 120.7° | 108.4° |
| O29 | C19 | C20 | 118.7° | 109.7° |
| C22 | C21 | C19 | 107.4° | 108.3° |
| C22 | C21 | H28 | 110.0° | 109.7° |
| C22 | C21 | H29 | 110.0° | 109.7° |
| C21 | C22 | H30 | 109.3° | 109.4° |
| C21 | C22 | H31 | 109.3° | 109.5° |
| C18 | C19 | C21 | 86.7° | 109.7° |
| C18 | C19 | C20 | 85.5° | 109.7° |
| C19 | C18 | H23 | 107.3° | 109.5° |
| C19 | C18 | H24 | 107.4° | 109.5° |
| C21 | C19 | C20 | 119.9° | 109.7° |
| C19 | C21 | H28 | 110.0° | 109.7° |
| C19 | C21 | H29 | 110.0° | 109.7° |
| C19 | C20 | H25 | 109.5° | 109.5° |
| C19 | C20 | H26 | 109.4° | 109.5° |
| C19 | C20 | H27 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.4° |
| H12 | C07 | H13 | 109.5° | 109.4° |
| H12 | C07 | H14 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H19 | 109.4° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H25 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.7° |
| H30 | C22 | H31 | 109.5° | 109.4° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H34 | C30 | H36 | 109.4° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | H11 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.8° | 174.7° |
| C05 | C04 | C03 | H9 | 119.9° | 120.0° |
| C05 | C04 | C03 | H10 | 119.9° | 120.0° |
| C05 | C04 | C03 | C02 | 78.5° | 180.0° |
| C04 | C05 | C06 | C08 | 0.2° | 5.3° |
| C05 | C04 | C03 | H7 | 42.0° | 60.0° |
| C05 | C04 | C03 | H8 | 160.9° | 60.0° |
| C05 | C04 | H9 | H10 | 120.2° | 120.0° |
| C05 | C06 | C07 | C08 | 179.6° | 179.9° |
| C06 | C05 | C04 | C03 | 152.4° | 124.8° |
| C05 | C06 | C08 | O09 | 152.2° | 101.5° |
| C05 | C06 | C08 | O10 | 28.6° | 78.5° |
| C06 | C05 | C04 | H9 | 87.7° | 4.8° |
| C06 | C05 | C04 | H10 | 32.5° | 115.1° |
| C05 | C06 | C07 | H12 | 180.0° | 90.0° |
| C05 | C06 | C07 | H13 | 60.0° | 150.0° |
| C05 | C06 | C07 | H14 | 60.0° | 29.9° |
| C07 | C06 | C08 | O09 | 27.4° | 78.5° |
| C07 | C06 | C08 | O10 | 151.8° | 101.4° |
| C07 | C06 | C05 | H11 | 0.2° | 5.3° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H14 | 120.0° | 120.0° |
| C06 | C07 | H13 | H14 | 120.0° | 120.1° |
| C04 | C03 | C02 | H7 | 120.6° | 120.0° |
| C04 | C03 | C02 | H8 | 120.6° | 120.1° |
| C04 | C03 | C02 | C11 | 60.0° | 95.0° |
| C04 | C03 | C02 | C01 | 120.2° | 85.0° |
| C04 | C03 | H7 | H8 | 118.3° | 120.1° |
| C03 | C04 | H9 | H10 | 120.2° | 120.1° |
| C03 | C04 | C05 | H11 | 27.6° | 55.2° |
| C03 | C02 | C11 | C01 | 179.8° | 180.0° |
| C03 | C02 | C11 | C12 | 179.1° | 174.4° |
| C03 | C02 | C11 | H3 | 0.9° | 5.7° |
| C03 | C02 | C01 | H4 | 180.0° | 95.0° |
| C03 | C02 | C01 | H5 | 60.0° | 25.0° |
| C03 | C02 | C01 | H6 | 60.0° | 145.0° |
| C02 | C03 | H7 | H8 | 118.3° | 120.0° |
| C02 | C03 | C04 | H9 | 161.5° | 60.0° |
| C02 | C03 | C04 | H10 | 41.4° | 60.0° |
| C06 | C08 | O09 | O10 | 179.2° | 179.9° |
| C08 | C06 | C05 | H11 | 179.8° | 174.7° |
| C08 | C06 | C07 | H12 | 0.4° | 90.0° |
| C08 | C06 | C07 | H13 | 119.6° | 29.9° |
| C08 | C06 | C07 | H14 | 120.4° | 150.0° |
| C06 | C08 | O10 | H37 | 179.2° | 180.0° |
| C02 | C11 | C12 | H3 | 180.0° | 179.9° |
| C02 | C11 | C12 | C13 | 109.4° | 122.8° |
| C02 | C11 | C12 | H1 | 131.4° | 117.2° |
| C02 | C11 | C12 | H2 | 9.7° | 2.8° |
| C11 | C02 | C01 | H4 | 0.2° | 85.0° |
| C11 | C02 | C01 | H5 | 119.8° | 155.0° |
| C11 | C02 | C01 | H6 | 120.2° | 35.1° |
| C11 | C02 | C03 | H7 | 60.6° | 145.0° |
| C11 | C02 | C03 | H8 | 179.5° | 25.0° |
| C01 | C02 | C11 | C12 | 1.1° | 5.6° |
| C01 | C02 | C11 | H3 | 178.9° | 174.3° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C03 | H7 | 119.2° | 35.0° |
| C01 | C02 | C03 | H8 | 0.4° | 154.9° |
| C11 | C12 | C13 | H1 | 119.2° | 120.0° |
| C11 | C12 | C13 | H2 | 119.2° | 120.1° |
| C11 | C12 | C13 | C14 | 160.4° | 180.0° |
| C11 | C12 | H1 | H2 | 122.4° | 120.0° |
| C11 | C12 | C13 | H15 | 78.7° | 60.0° |
| C11 | C12 | C13 | H16 | 39.5° | 59.9° |
| O09 | C08 | O10 | H37 | 0.0° | 0.1° |
| C12 | C13 | C14 | H15 | 120.9° | 120.0° |
| C12 | C13 | C14 | H16 | 120.9° | 120.1° |
| C12 | C13 | C14 | C15 | 33.3° | 85.0° |
| C12 | C13 | C14 | C16 | 146.7° | 95.0° |
| C13 | C12 | H1 | H2 | 122.5° | 119.9° |
| C13 | C12 | C11 | H3 | 70.6° | 57.1° |
| C12 | C13 | H15 | H16 | 117.1° | 120.0° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C16 | C17 | 178.6° | 174.4° |
| C14 | C13 | C12 | H1 | 41.2° | 59.9° |
| C14 | C13 | C12 | H2 | 80.4° | 60.0° |
| C14 | C13 | H15 | H16 | 117.0° | 119.9° |
| C13 | C14 | C15 | H17 | 180.0° | 0.4° |
| C13 | C14 | C15 | H18 | 60.0° | 120.4° |
| C13 | C14 | C15 | H19 | 60.0° | 119.6° |
| C13 | C14 | C16 | H20 | 1.4° | 5.5° |
| C15 | C14 | C16 | C17 | 1.5° | 5.5° |
| C15 | C14 | C13 | H15 | 154.2° | 155.0° |
| C15 | C14 | C13 | H16 | 87.6° | 35.1° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H19 | 120.0° | 120.0° |
| C14 | C15 | H18 | H19 | 120.0° | 120.1° |
| C15 | C14 | C16 | H20 | 178.5° | 174.5° |
| C14 | C16 | C17 | H20 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 171.5° | 119.3° |
| C16 | C14 | C13 | H15 | 25.8° | 25.0° |
| C16 | C14 | C13 | H16 | 92.4° | 144.9° |
| C16 | C14 | C15 | H17 | 0.0° | 179.6° |
| C16 | C14 | C15 | H18 | 120.0° | 59.6° |
| C16 | C14 | C15 | H19 | 120.0° | 60.5° |
| C14 | C16 | C17 | H21 | 68.8° | 120.7° |
| C14 | C16 | C17 | H22 | 51.8° | 0.7° |
| O31 | C25 | C26 | C24 | 179.6° | 180.0° |
| O31 | C25 | C26 | C27 | 179.4° | 179.9° |
| O31 | C25 | C24 | C23 | 179.7° | 180.0° |
| O31 | C25 | C24 | H32 | 0.3° | 0.0° |
| O31 | C25 | C26 | H33 | 0.6° | 0.0° |
| C25 | C26 | C27 | H33 | 180.0° | 179.9° |
| C25 | C26 | C27 | C30 | 179.3° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.1° |
| C26 | C25 | C24 | C23 | 0.1° | 0.1° |
| C26 | C25 | C24 | H32 | 179.9° | 180.0° |
| C26 | C25 | O31 | H38 | 180.0° | 90.0° |
| C27 | C26 | C25 | C24 | 0.2° | 0.1° |
| C26 | C27 | C30 | C28 | 179.7° | 179.9° |
| C26 | C27 | C28 | C23 | 0.2° | 0.1° |
| C26 | C27 | C28 | O29 | 179.9° | 179.6° |
| C26 | C27 | C30 | H34 | 90.1° | 89.9° |
| C26 | C27 | C30 | H35 | 149.8° | 150.0° |
| C26 | C27 | C30 | H36 | 29.8° | 30.0° |
| C25 | C24 | C23 | H32 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 0.3° | 0.1° |
| C25 | C24 | C23 | C22 | 179.7° | 179.9° |
| C24 | C25 | C26 | H33 | 179.8° | 179.9° |
| C24 | C25 | O31 | H38 | 0.4° | 90.0° |
| C30 | C27 | C28 | C23 | 179.5° | 179.8° |
| C30 | C27 | C28 | O29 | 0.2° | 0.4° |
| C30 | C27 | C26 | H33 | 0.7° | 0.1° |
| C27 | C30 | H34 | H35 | 120.0° | 120.0° |
| C27 | C30 | H34 | H36 | 120.0° | 119.9° |
| C27 | C30 | H35 | H36 | 120.0° | 119.9° |
| C27 | C28 | C23 | C24 | 0.1° | 0.2° |
| C27 | C28 | C23 | O29 | 179.6° | 179.7° |
| C27 | C28 | C23 | C22 | 179.8° | 179.8° |
| C27 | C28 | O29 | C19 | 169.1° | 163.1° |
| C28 | C27 | C26 | H33 | 179.6° | 180.0° |
| C28 | C27 | C30 | H34 | 90.2° | 90.0° |
| C28 | C27 | C30 | H35 | 29.8° | 30.0° |
| C28 | C27 | C30 | H36 | 149.9° | 150.1° |
| C16 | C17 | C18 | H21 | 119.7° | 120.0° |
| C16 | C17 | C18 | H22 | 119.7° | 120.1° |
| C16 | C17 | C18 | C19 | 87.6° | 180.0° |
| C16 | C17 | H21 | H22 | 120.9° | 120.0° |
| C16 | C17 | C18 | H23 | 151.2° | 60.0° |
| C16 | C17 | C18 | H24 | 33.6° | 60.0° |
| C24 | C23 | C28 | C22 | 179.9° | 180.0° |
| C24 | C23 | C28 | O29 | 179.5° | 179.5° |
| C24 | C23 | C22 | C21 | 161.7° | 162.2° |
| C24 | C23 | C22 | H30 | 78.2° | 42.1° |
| C24 | C23 | C22 | H31 | 41.6° | 77.8° |
| C23 | C28 | O29 | C19 | 11.2° | 17.2° |
| C28 | C23 | C22 | C21 | 18.4° | 17.8° |
| C28 | C23 | C22 | H30 | 101.7° | 137.9° |
| C28 | C23 | C22 | H31 | 138.4° | 102.2° |
| C28 | C23 | C24 | H32 | 179.7° | 179.8° |
| O29 | C28 | C23 | C22 | 0.5° | 0.5° |
| C28 | O29 | C19 | C18 | 129.8° | 168.9° |
| C28 | O29 | C19 | C21 | 43.9° | 49.1° |
| C28 | O29 | C19 | C20 | 145.5° | 70.6° |
| C17 | C18 | C19 | O29 | 65.4° | 65.5° |
| C17 | C18 | C19 | H23 | 121.2° | 120.0° |
| C17 | C18 | C19 | H24 | 121.2° | 120.0° |
| C17 | C18 | C19 | C21 | 55.4° | 175.5° |
| C17 | C18 | C19 | C20 | 175.7° | 55.0° |
| C18 | C17 | C16 | H20 | 8.5° | 60.7° |
| C18 | C17 | H21 | H22 | 120.9° | 119.9° |
| C17 | C18 | H23 | H24 | 116.2° | 120.0° |
| C23 | C22 | C21 | H30 | 120.1° | 120.1° |
| C23 | C22 | C21 | H31 | 120.1° | 120.0° |
| C23 | C22 | C21 | C19 | 42.7° | 48.2° |
| C23 | C22 | C21 | H28 | 162.3° | 71.5° |
| C23 | C22 | C21 | H29 | 77.0° | 167.9° |
| C23 | C22 | H30 | H31 | 119.8° | 119.8° |
| C22 | C23 | C24 | H32 | 0.3° | 0.2° |
| O29 | C19 | C21 | C22 | 62.1° | 64.7° |
| O29 | C19 | C18 | C21 | 120.8° | 119.0° |
| O29 | C19 | C18 | C20 | 118.8° | 120.5° |
| O29 | C19 | C21 | C20 | 170.5° | 119.7° |
| O29 | C19 | C18 | H23 | 173.4° | 54.5° |
| O29 | C19 | C18 | H24 | 55.8° | 174.5° |
| O29 | C19 | C20 | H25 | 180.0° | 60.5° |
| O29 | C19 | C20 | H26 | 60.0° | 59.5° |
| O29 | C19 | C20 | H27 | 60.0° | 179.5° |
| O29 | C19 | C21 | H28 | 178.3° | 55.0° |
| O29 | C19 | C21 | H29 | 57.6° | 175.6° |
| C22 | C21 | C19 | C18 | 149.6° | 175.5° |
| C22 | C21 | C19 | H28 | 119.7° | 119.7° |
| C22 | C21 | C19 | H29 | 119.7° | 119.7° |
| C22 | C21 | C19 | C20 | 127.5° | 55.0° |
| C22 | C21 | H28 | H29 | 120.9° | 120.5° |
| C21 | C22 | H30 | H31 | 119.7° | 119.9° |
| C18 | C19 | C21 | C20 | 82.9° | 120.6° |
| C19 | C18 | C17 | H21 | 32.0° | 59.9° |
| C19 | C18 | C17 | H22 | 152.7° | 60.0° |
| C19 | C18 | H23 | H24 | 116.2° | 120.0° |
| C18 | C19 | C20 | H25 | 93.0° | 60.0° |
| C18 | C19 | C20 | H26 | 27.0° | 180.0° |
| C18 | C19 | C20 | H27 | 147.0° | 60.0° |
| C18 | C19 | C21 | H28 | 90.7° | 64.7° |
| C18 | C19 | C21 | H29 | 29.9° | 55.8° |
| C21 | C19 | C18 | H23 | 65.8° | 64.4° |
| C21 | C19 | C18 | H24 | 176.5° | 55.5° |
| C21 | C19 | C20 | H25 | 9.4° | 179.5° |
| C21 | C19 | C20 | H26 | 110.6° | 59.5° |
| C21 | C19 | C20 | H27 | 129.4° | 60.6° |
| C19 | C21 | H28 | H29 | 120.9° | 120.6° |
| C19 | C21 | C22 | H30 | 77.4° | 168.3° |
| C19 | C21 | C22 | H31 | 162.7° | 71.7° |
| C20 | C19 | C18 | H23 | 54.5° | 175.0° |
| C20 | C19 | C18 | H24 | 63.1° | 65.0° |
| C19 | C20 | H25 | H26 | 120.0° | 120.0° |
| C19 | C20 | H25 | H27 | 120.0° | 120.0° |
| C19 | C20 | H26 | H27 | 120.0° | 120.0° |
| C20 | C19 | C21 | H28 | 7.8° | 174.7° |
| C20 | C19 | C21 | H29 | 112.8° | 64.7° |
| H1 | C12 | C11 | H3 | 48.6° | 62.9° |
| H1 | C12 | C13 | H15 | 162.2° | NaN° |
| H1 | C12 | C13 | H16 | 79.7° | 60.1° |
| H2 | C12 | C11 | H3 | 170.2° | 177.2° |
| H2 | C12 | C13 | H15 | 40.5° | 60.1° |
| H2 | C12 | C13 | H16 | 158.6° | 180.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.1° |
| H7 | C03 | C04 | H9 | 77.9° | 180.0° |
| H7 | C03 | C04 | H10 | 162.0° | 60.0° |
| H8 | C03 | C04 | H9 | 41.0° | 60.0° |
| H8 | C03 | C04 | H10 | 79.2° | 180.0° |
| H9 | C04 | C05 | H11 | 92.3° | 175.1° |
| H10 | C04 | C05 | H11 | 147.5° | 64.9° |
| H12 | C07 | H13 | H14 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 119.9° |
| H20 | C16 | C17 | H21 | 111.2° | 59.4° |
| H20 | C16 | C17 | H22 | 128.1° | 179.3° |
| H21 | C17 | C18 | H23 | 89.2° | NaN° |
| H21 | C17 | C18 | H24 | 153.3° | 60.1° |
| H22 | C17 | C18 | H23 | 31.5° | 60.1° |
| H22 | C17 | C18 | H24 | 86.1° | 180.0° |
| H25 | C20 | H26 | H27 | 120.0° | 120.0° |
| H28 | C21 | C22 | H30 | 42.2° | 48.6° |
| H28 | C21 | C22 | H31 | 77.6° | 168.5° |
| H29 | C21 | C22 | H30 | 162.9° | 72.0° |
| H29 | C21 | C22 | H31 | 43.1° | 47.9° |
| H34 | C30 | H35 | H36 | 119.9° | 120.1° |
