K9I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.43Å | 1.38Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| O30 | C29 | doub | 1.21Å | 1.19Å | |
| C27 | C29 | sing | 1.51Å | 1.57Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| O05 | C04 | sing | 1.43Å | 1.41Å | |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | O31 | sing | 1.34Å | 1.46Å | |
| C24 | C20 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| O26 | C25 | sing | 1.43Å | 1.39Å | |
| C23 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | O32 | sing | 1.43Å | 1.44Å | |
| O32 | C11 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | C06 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| O31 | C09 | sing | 1.45Å | 1.42Å | |
| C18 | C15 | sing | 1.51Å | 1.62Å | |
| C09 | C07 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | doub | 1.31Å | 1.36Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.52Å | 1.54Å | |
| C13 | O14 | sing | 1.43Å | 1.40Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.10Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.08Å | 1.08Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.08Å | 1.10Å | |
| C12 | H27 | sing | 1.08Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| O05 | H39 | sing | 0.97Å | 0.95Å | |
| O14 | H40 | sing | 0.97Å | 0.95Å | |
| O26 | H41 | sing | 0.97Å | 0.95Å | |
| O28 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C29 | 110.3° | 109.6° |
| O28 | C27 | C25 | 110.7° | 109.5° |
| O28 | C27 | H35 | 110.2° | 109.1° |
| C27 | O28 | H42 | 109.5° | 114.0° |
| C22 | C21 | C20 | 119.4° | 119.8° |
| C21 | C22 | C23 | 120.6° | 120.1° |
| C22 | C21 | H7 | 120.3° | 120.2° |
| C21 | C22 | H8 | 119.7° | 120.1° |
| C21 | C20 | C24 | 121.2° | 119.3° |
| C21 | C20 | C19 | 120.1° | 120.0° |
| C20 | C21 | H7 | 120.3° | 120.1° |
| O30 | C29 | C27 | 120.3° | 119.3° |
| O30 | C29 | O31 | 120.5° | 119.9° |
| C29 | C27 | C25 | 109.7° | 110.5° |
| C27 | C29 | O31 | 119.1° | 120.8° |
| C29 | C27 | H35 | 107.8° | 109.0° |
| C27 | C25 | C24 | 110.4° | 109.3° |
| C27 | C25 | O26 | 110.3° | 109.3° |
| C27 | C25 | H34 | 107.8° | 109.8° |
| C25 | C27 | H35 | 108.1° | 109.1° |
| O05 | C04 | C03 | 108.0° | 109.5° |
| O05 | C04 | H17 | 109.8° | 109.5° |
| O05 | C04 | H18 | 109.8° | 109.4° |
| C04 | O05 | H39 | 109.5° | 114.0° |
| C22 | C23 | C18 | 120.0° | 120.3° |
| C23 | C22 | H8 | 119.7° | 119.8° |
| C22 | C23 | H33 | 120.0° | 118.0° |
| C29 | O31 | C09 | 116.0° | 117.0° |
| C20 | C24 | C25 | 110.4° | 110.4° |
| C24 | C20 | C19 | 118.7° | 120.7° |
| C20 | C24 | H9 | 109.3° | 109.3° |
| C20 | C24 | H10 | 109.3° | 109.2° |
| C24 | C25 | O26 | 110.5° | 109.3° |
| C25 | C24 | H9 | 109.2° | 109.4° |
| C25 | C24 | H10 | 109.3° | 109.6° |
| C24 | C25 | H34 | 107.9° | 110.0° |
| C04 | C03 | C02 | 108.5° | 109.5° |
| C04 | C03 | C06 | 108.7° | 109.4° |
| C04 | C03 | H16 | 110.2° | 109.4° |
| C03 | C04 | H17 | 109.8° | 109.5° |
| C03 | C04 | H18 | 109.8° | 109.5° |
| C20 | C19 | C18 | 120.6° | 120.6° |
| C20 | C19 | H32 | 119.7° | 119.4° |
| O26 | C25 | H34 | 109.8° | 109.1° |
| C25 | O26 | H41 | 109.5° | 114.0° |
| C23 | C18 | C19 | 119.3° | 119.2° |
| C23 | C18 | C15 | 121.2° | 120.2° |
| C18 | C23 | H33 | 120.0° | 121.7° |
| C33 | O32 | C11 | 113.7° | 114.0° |
| O32 | C33 | H36 | 109.5° | 109.4° |
| O32 | C33 | H37 | 109.5° | 109.5° |
| O32 | C33 | H38 | 109.5° | 109.5° |
| O32 | C11 | C10 | 109.9° | 109.2° |
| O32 | C11 | C12 | 110.7° | 108.6° |
| O32 | C11 | H26 | 110.0° | 109.5° |
| C02 | C03 | C06 | 109.4° | 109.5° |
| C03 | C02 | C01 | 113.1° | 109.5° |
| C03 | C02 | H14 | 108.5° | 109.5° |
| C03 | C02 | H15 | 108.6° | 109.4° |
| C02 | C03 | H16 | 110.2° | 109.5° |
| C03 | C06 | C07 | 114.7° | 120.0° |
| C06 | C03 | H16 | 109.9° | 109.5° |
| C03 | C06 | H19 | 122.7° | 120.0° |
| C19 | C18 | C15 | 119.5° | 120.6° |
| C18 | C19 | H32 | 119.7° | 120.0° |
| O31 | C09 | C07 | 107.7° | 110.1° |
| O31 | C09 | C10 | 110.1° | 109.9° |
| O31 | C09 | H25 | 111.3° | 108.9° |
| C18 | C15 | C13 | 109.7° | 112.0° |
| C18 | C15 | C17 | 109.5° | 109.0° |
| C18 | C15 | C16 | 109.7° | 109.1° |
| C07 | C09 | C10 | 108.5° | 110.2° |
| C09 | C07 | C06 | 126.8° | 120.0° |
| C09 | C07 | C08 | 108.6° | 120.0° |
| C07 | C09 | H25 | 109.9° | 108.8° |
| C09 | C10 | C11 | 115.4° | 110.7° |
| C09 | C10 | H1 | 108.0° | 109.2° |
| C09 | C10 | H2 | 108.0° | 109.2° |
| C10 | C09 | H25 | 109.3° | 108.9° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C01 | C02 | H14 | 108.6° | 109.5° |
| C01 | C02 | H15 | 108.6° | 109.5° |
| C06 | C07 | C08 | 124.6° | 120.0° |
| C07 | C06 | H19 | 122.6° | 120.0° |
| C07 | C08 | H22 | 109.5° | 109.4° |
| C07 | C08 | H23 | 109.4° | 109.5° |
| C07 | C08 | H24 | 109.5° | 109.4° |
| C10 | C11 | C12 | 110.3° | 109.6° |
| C11 | C10 | H1 | 108.0° | 109.5° |
| C11 | C10 | H2 | 108.0° | 109.4° |
| C10 | C11 | H26 | 107.9° | 110.5° |
| C11 | C12 | C13 | 113.6° | 109.0° |
| C12 | C11 | H26 | 108.1° | 109.4° |
| C11 | C12 | H27 | 108.4° | 109.3° |
| C11 | C12 | H28 | 108.4° | 107.3° |
| C15 | C13 | C12 | 112.5° | 112.8° |
| C15 | C13 | O14 | 109.7° | 109.9° |
| C13 | C15 | C17 | 109.1° | 110.9° |
| C13 | C15 | C16 | 110.7° | 107.5° |
| C15 | C13 | H3 | 107.6° | 107.7° |
| C12 | C13 | O14 | 109.5° | 110.6° |
| C12 | C13 | H3 | 107.8° | 107.9° |
| C13 | C12 | H27 | 108.4° | 110.8° |
| C13 | C12 | H28 | 108.4° | 110.4° |
| O14 | C13 | H3 | 109.6° | 107.7° |
| C13 | O14 | H40 | 109.5° | 114.0° |
| C17 | C15 | C16 | 108.1° | 108.2° |
| C15 | C17 | H4 | 109.5° | 109.5° |
| C15 | C17 | H5 | 109.4° | 109.5° |
| C15 | C17 | H6 | 109.5° | 109.4° |
| C15 | C16 | H29 | 109.5° | 109.5° |
| C15 | C16 | H30 | 109.4° | 109.4° |
| C15 | C16 | H31 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 108.9° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 108.9° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H14 | C02 | H15 | 109.5° | 109.4° |
| H17 | C04 | H18 | 109.5° | 109.4° |
| H22 | C08 | H23 | 109.5° | 109.5° |
| H22 | C08 | H24 | 109.5° | 109.5° |
| H23 | C08 | H24 | 109.5° | 109.4° |
| H27 | C12 | H28 | 109.5° | 109.9° |
| H29 | C16 | H30 | 109.5° | 109.4° |
| H29 | C16 | H31 | 109.5° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| H36 | C33 | H37 | 109.5° | 109.5° |
| H36 | C33 | H38 | 109.5° | 109.5° |
| H37 | C33 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C29 | O30 | 20.8° | 36.5° |
| O28 | C27 | C29 | C25 | 122.2° | 120.8° |
| O28 | C27 | C29 | H35 | 120.3° | 119.3° |
| O28 | C27 | C25 | H35 | 120.8° | 119.4° |
| O28 | C27 | C29 | O31 | 159.3° | 143.0° |
| O28 | C27 | C25 | C24 | 78.7° | 100.8° |
| O28 | C27 | C25 | O26 | 43.7° | 18.8° |
| O28 | C27 | C25 | H34 | 163.6° | 138.4° |
| C22 | C21 | C20 | H7 | 180.0° | 179.7° |
| C21 | C22 | C23 | H8 | 180.0° | 179.8° |
| C22 | C21 | C20 | C24 | 179.4° | 177.4° |
| C22 | C21 | C20 | C19 | 0.0° | 1.4° |
| C21 | C22 | C23 | C18 | 0.0° | 1.6° |
| C21 | C22 | C23 | H33 | 180.0° | 176.6° |
| C20 | C21 | C22 | C23 | 0.0° | 0.5° |
| C21 | C20 | C24 | C19 | 179.5° | 178.7° |
| C21 | C20 | C24 | C25 | 128.6° | 142.5° |
| C21 | C20 | C19 | C18 | 0.1° | 0.2° |
| C20 | C21 | C22 | H8 | 180.0° | 179.7° |
| C21 | C20 | C24 | H9 | 111.3° | 22.1° |
| C21 | C20 | C24 | H10 | 8.5° | 96.9° |
| C21 | C20 | C19 | H32 | 179.9° | 180.0° |
| O30 | C29 | C27 | O31 | 179.9° | 179.5° |
| O30 | C29 | C27 | C25 | 143.1° | 157.3° |
| O30 | C29 | O31 | C09 | 16.0° | 7.8° |
| O30 | C29 | C27 | H35 | 99.5° | 82.8° |
| C29 | C27 | C25 | H35 | 117.3° | 119.8° |
| C29 | C27 | C25 | C24 | 159.4° | 138.4° |
| C29 | C27 | C25 | O26 | 78.2° | 102.0° |
| C27 | C29 | O31 | C09 | 163.9° | 172.7° |
| C29 | C27 | C25 | H34 | 41.7° | 17.6° |
| C29 | C27 | O28 | H42 | 8.8° | 60.0° |
| C25 | C27 | C29 | O31 | 37.0° | 22.2° |
| C27 | C25 | C24 | C20 | 61.5° | 141.4° |
| C27 | C25 | C24 | O26 | 122.3° | 119.6° |
| C27 | C25 | C24 | H34 | 117.6° | 120.7° |
| C27 | C25 | O26 | H34 | 118.7° | 120.1° |
| C27 | C25 | C24 | H9 | 178.3° | 98.2° |
| C27 | C25 | C24 | H10 | 58.6° | 21.0° |
| C27 | C25 | O26 | H41 | 180.0° | 60.4° |
| C25 | C27 | O28 | H42 | 130.4° | 178.6° |
| O05 | C04 | C03 | H17 | 119.8° | 120.0° |
| O05 | C04 | C03 | H18 | 119.8° | 120.0° |
| O05 | C04 | C03 | C02 | 61.9° | 175.0° |
| O05 | C04 | C03 | C06 | 179.3° | 65.0° |
| O05 | C04 | C03 | H16 | 58.8° | 55.0° |
| O05 | C04 | H17 | H18 | 120.7° | 119.9° |
| C22 | C23 | C18 | H33 | 180.0° | 178.1° |
| C22 | C23 | C18 | C19 | 0.1° | 2.7° |
| C22 | C23 | C18 | C15 | 179.6° | 179.0° |
| C23 | C22 | C21 | H7 | 180.0° | 179.9° |
| C29 | O31 | C09 | C07 | 99.7° | 92.6° |
| C29 | O31 | C09 | C10 | 142.2° | 145.9° |
| C29 | O31 | C09 | H25 | 20.9° | 26.6° |
| O31 | C29 | C27 | H35 | 80.4° | 97.7° |
| C20 | C24 | C25 | H9 | 120.1° | 120.3° |
| C20 | C24 | C25 | H10 | 120.1° | 120.4° |
| C20 | C24 | C25 | O26 | 176.2° | 99.0° |
| C24 | C20 | C19 | C18 | 179.4° | 178.5° |
| C24 | C20 | C21 | H7 | 0.6° | 2.3° |
| C20 | C24 | H9 | H10 | 119.6° | 119.3° |
| C24 | C20 | C19 | H32 | 0.6° | 1.2° |
| C20 | C24 | C25 | H34 | 56.1° | 20.8° |
| C25 | C24 | C20 | C19 | 50.9° | 38.8° |
| C24 | C25 | O26 | H34 | 119.0° | 120.4° |
| C25 | C24 | H9 | H10 | 119.6° | 119.7° |
| C24 | C25 | C27 | H35 | 42.1° | 18.6° |
| C24 | C25 | O26 | H41 | 57.7° | 180.0° |
| C04 | C03 | C02 | C06 | 118.4° | 120.0° |
| C04 | C03 | C02 | H16 | 120.7° | 120.0° |
| C04 | C03 | C06 | H16 | 120.6° | 119.9° |
| C04 | C03 | C02 | C01 | 169.9° | 65.0° |
| C04 | C03 | C06 | C07 | 118.8° | 116.7° |
| C04 | C03 | C02 | H14 | 69.6° | 55.0° |
| C04 | C03 | C02 | H15 | 49.3° | 175.0° |
| C03 | C04 | H17 | H18 | 120.7° | 120.0° |
| C04 | C03 | C06 | H19 | 61.2° | 63.4° |
| C03 | C04 | O05 | H39 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.1° | 1.8° |
| C20 | C19 | C18 | H32 | 180.0° | 179.7° |
| C20 | C19 | C18 | C15 | 179.6° | 179.9° |
| C19 | C20 | C21 | H7 | 180.0° | 179.0° |
| C19 | C20 | C24 | H9 | 69.3° | 159.2° |
| C19 | C20 | C24 | H10 | 171.0° | 81.8° |
| O26 | C25 | C24 | H9 | 56.0° | 21.3° |
| O26 | C25 | C24 | H10 | 63.7° | 140.6° |
| O26 | C25 | C27 | H35 | 164.5° | 138.2° |
| C23 | C18 | C19 | C15 | 179.7° | 178.4° |
| C23 | C18 | C15 | C13 | 97.6° | 150.0° |
| C23 | C18 | C15 | C17 | 22.1° | 86.8° |
| C23 | C18 | C15 | C16 | 140.6° | 31.2° |
| C18 | C23 | C22 | H8 | 180.0° | 178.3° |
| C23 | C18 | C19 | H32 | 179.9° | 178.0° |
| C33 | O32 | C11 | C10 | 106.0° | 91.3° |
| C33 | O32 | C11 | C12 | 132.0° | 149.2° |
| C33 | O32 | C11 | H26 | 12.7° | 29.8° |
| O32 | C33 | H36 | H37 | 120.0° | 120.0° |
| O32 | C33 | H36 | H38 | 120.0° | 120.0° |
| O32 | C33 | H37 | H38 | 120.0° | 120.0° |
| O32 | C11 | C10 | C09 | 25.6° | 129.4° |
| O32 | C11 | C10 | C12 | 122.2° | 118.9° |
| O32 | C11 | C10 | H26 | 119.9° | 120.5° |
| O32 | C11 | C12 | H26 | 120.5° | 119.5° |
| O32 | C11 | C12 | C13 | 60.6° | 76.0° |
| O32 | C11 | C10 | H1 | 146.5° | 8.9° |
| O32 | C11 | C10 | H2 | 95.2° | 110.3° |
| O32 | C11 | C12 | H27 | 60.0° | 162.7° |
| O32 | C11 | C12 | H28 | 178.8° | 43.6° |
| C11 | O32 | C33 | H36 | 180.0° | 60.0° |
| C11 | O32 | C33 | H37 | 60.0° | 60.0° |
| C11 | O32 | C33 | H38 | 60.0° | 180.0° |
| C02 | C03 | C06 | H16 | 121.1° | 120.0° |
| C03 | C02 | C01 | H14 | 120.5° | 120.0° |
| C03 | C02 | C01 | H15 | 120.5° | 120.0° |
| C02 | C03 | C06 | C07 | 122.9° | 123.3° |
| C03 | C02 | C01 | H11 | 180.0° | 180.0° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 60.0° |
| C03 | C02 | H14 | H15 | 118.4° | 119.9° |
| C02 | C03 | C04 | H17 | 178.3° | 55.0° |
| C02 | C03 | C04 | H18 | 57.9° | 65.0° |
| C02 | C03 | C06 | H19 | 57.0° | 56.6° |
| C03 | C06 | C07 | C09 | 0.1° | 7.3° |
| C06 | C03 | C02 | C01 | 71.7° | 175.0° |
| C03 | C06 | C07 | H19 | 180.0° | 179.9° |
| C03 | C06 | C07 | C08 | 180.0° | 172.7° |
| C06 | C03 | C02 | H14 | 48.8° | 65.0° |
| C06 | C03 | C02 | H15 | 167.7° | 55.0° |
| C06 | C03 | C04 | H17 | 59.5° | 175.0° |
| C06 | C03 | C04 | H18 | 61.0° | 55.0° |
| C19 | C18 | C15 | C13 | 82.1° | 31.6° |
| C19 | C18 | C15 | C17 | 158.2° | 91.5° |
| C19 | C18 | C15 | C16 | 39.7° | 150.5° |
| C19 | C18 | C23 | H33 | 179.9° | 175.4° |
| O31 | C09 | C07 | C10 | 119.1° | 121.4° |
| O31 | C09 | C07 | H25 | 121.4° | 119.2° |
| O31 | C09 | C10 | H25 | 122.5° | 119.2° |
| O31 | C09 | C07 | C06 | 139.0° | 137.5° |
| O31 | C09 | C07 | C08 | 41.1° | 42.5° |
| O31 | C09 | C10 | C11 | 57.7° | 54.8° |
| O31 | C09 | C10 | H1 | 63.1° | 175.4° |
| O31 | C09 | C10 | H2 | 178.6° | 65.7° |
| C18 | C15 | C13 | C17 | 120.0° | 122.0° |
| C18 | C15 | C13 | C16 | 121.2° | 119.8° |
| C18 | C15 | C13 | C12 | 79.3° | 89.5° |
| C18 | C15 | C13 | O14 | 158.6° | 34.5° |
| C18 | C15 | C17 | C16 | 119.4° | 118.6° |
| C18 | C15 | C13 | H3 | 39.4° | 151.5° |
| C18 | C15 | C17 | H4 | 180.0° | 63.7° |
| C18 | C15 | C17 | H5 | 60.0° | 56.3° |
| C18 | C15 | C17 | H6 | 60.0° | 176.2° |
| C18 | C15 | C16 | H29 | 180.0° | 178.3° |
| C18 | C15 | C16 | H30 | 60.0° | 58.4° |
| C18 | C15 | C16 | H31 | 60.0° | 61.6° |
| C15 | C18 | C19 | H32 | 0.4° | 0.4° |
| C15 | C18 | C23 | H33 | 0.4° | 2.9° |
| C07 | C09 | C10 | H25 | 119.9° | 119.3° |
| C09 | C07 | C06 | C08 | 179.9° | 180.0° |
| C07 | C09 | C10 | C11 | 175.3° | 66.7° |
| C07 | C09 | C10 | H1 | 54.5° | 53.9° |
| C07 | C09 | C10 | H2 | 63.8° | 172.8° |
| C09 | C07 | C06 | H19 | 179.9° | 172.8° |
| C09 | C07 | C08 | H22 | 180.0° | 95.2° |
| C09 | C07 | C08 | H23 | 60.0° | 24.9° |
| C09 | C07 | C08 | H24 | 60.0° | 144.8° |
| C10 | C09 | C07 | C06 | 101.9° | 101.2° |
| C10 | C09 | C07 | C08 | 78.0° | 78.9° |
| C09 | C10 | C11 | H1 | 120.9° | 120.5° |
| C09 | C10 | C11 | H2 | 120.9° | 120.3° |
| C09 | C10 | C11 | C12 | 96.6° | 111.7° |
| C09 | C10 | H1 | H2 | 117.3° | 119.1° |
| C09 | C10 | C11 | H26 | 145.6° | 8.9° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | H14 | H15 | 118.4° | 120.0° |
| C01 | C02 | C03 | H16 | 49.2° | 55.0° |
| C07 | C06 | C03 | H16 | 1.9° | 3.3° |
| C06 | C07 | C08 | H22 | 0.1° | 84.9° |
| C06 | C07 | C08 | H23 | 119.9° | 155.1° |
| C06 | C07 | C08 | H24 | 120.1° | 35.1° |
| C06 | C07 | C09 | H25 | 17.6° | 18.2° |
| C08 | C07 | C06 | H19 | 0.0° | 7.2° |
| C07 | C08 | H22 | H23 | 120.0° | 120.0° |
| C07 | C08 | H22 | H24 | 120.0° | 120.0° |
| C07 | C08 | H23 | H24 | 120.0° | 119.9° |
| C08 | C07 | C09 | H25 | 162.5° | 161.7° |
| C10 | C11 | C12 | H26 | 117.7° | 121.3° |
| C10 | C11 | C12 | C13 | 177.6° | 164.8° |
| C11 | C10 | H1 | H2 | 117.3° | 119.5° |
| C11 | C10 | C09 | H25 | 64.8° | 174.0° |
| C10 | C11 | C12 | H27 | 61.8° | 43.5° |
| C10 | C11 | C12 | H28 | 57.0° | 75.6° |
| C11 | C12 | C13 | C15 | 162.6° | 173.4° |
| C11 | C12 | C13 | H27 | 120.6° | 120.4° |
| C11 | C12 | C13 | H28 | 120.6° | 117.7° |
| C11 | C12 | C13 | O14 | 75.1° | 49.9° |
| C12 | C11 | C10 | H1 | 24.2° | 127.8° |
| C12 | C11 | C10 | H2 | 142.5° | 8.6° |
| C11 | C12 | C13 | H3 | 44.1° | 67.7° |
| C11 | C12 | H27 | H28 | 118.2° | 117.5° |
| C15 | C13 | C12 | O14 | 122.3° | 123.5° |
| C15 | C13 | C12 | H3 | 118.5° | 118.9° |
| C15 | C13 | O14 | H3 | 118.0° | 117.1° |
| C13 | C15 | C17 | C16 | 120.4° | 117.7° |
| C13 | C15 | C17 | H4 | 59.9° | 60.0° |
| C13 | C15 | C17 | H5 | 60.1° | 180.0° |
| C13 | C15 | C17 | H6 | 179.9° | 60.0° |
| C15 | C13 | C12 | H27 | 42.1° | 53.1° |
| C15 | C13 | C12 | H28 | 76.7° | 68.9° |
| C13 | C15 | C16 | H29 | 58.8° | 60.1° |
| C13 | C15 | C16 | H30 | 178.8° | 180.0° |
| C13 | C15 | C16 | H31 | 61.2° | 60.0° |
| C15 | C13 | O14 | H40 | 180.0° | 65.5° |
| C12 | C13 | O14 | H3 | 118.1° | 117.7° |
| C12 | C13 | C15 | C17 | 160.7° | 32.6° |
| C12 | C13 | C15 | C16 | 41.9° | 150.7° |
| C13 | C12 | C11 | H26 | 59.9° | 43.5° |
| C13 | C12 | H27 | H28 | 118.1° | 122.3° |
| C12 | C13 | O14 | H40 | 56.1° | 169.3° |
| O14 | C13 | C15 | C17 | 38.6° | 156.5° |
| O14 | C13 | C15 | C16 | 80.2° | 85.4° |
| O14 | C13 | C12 | H27 | 164.3° | 70.5° |
| O14 | C13 | C12 | H28 | 45.5° | 167.5° |
| C17 | C15 | C13 | H3 | 80.6° | 86.4° |
| C15 | C17 | H4 | H5 | 120.0° | 120.0° |
| C15 | C17 | H4 | H6 | 120.0° | 120.0° |
| C15 | C17 | H5 | H6 | 120.0° | 119.9° |
| C17 | C15 | C16 | H29 | 60.6° | 59.8° |
| C17 | C15 | C16 | H30 | 59.4° | 60.1° |
| C17 | C15 | C16 | H31 | 179.4° | 179.9° |
| C16 | C15 | C13 | H3 | 160.5° | 31.7° |
| C16 | C15 | C17 | H4 | 60.6° | 177.7° |
| C16 | C15 | C17 | H5 | 179.4° | 62.3° |
| C16 | C15 | C17 | H6 | 59.4° | 57.7° |
| C15 | C16 | H29 | H30 | 120.0° | 119.9° |
| C15 | C16 | H29 | H31 | 120.0° | 120.1° |
| C15 | C16 | H30 | H31 | 120.0° | 120.0° |
| H1 | C10 | C09 | H25 | 174.4° | 65.5° |
| H1 | C10 | C11 | H26 | 93.6° | 111.5° |
| H2 | C10 | C09 | H25 | 56.1° | 53.5° |
| H2 | C10 | C11 | H26 | 24.7° | 129.2° |
| H3 | C13 | C12 | H27 | 76.5° | 171.9° |
| H3 | C13 | C12 | H28 | 164.7° | 49.9° |
| H3 | C13 | O14 | H40 | 62.0° | 51.6° |
| H4 | C17 | H5 | H6 | 120.0° | 120.1° |
| H7 | C21 | C22 | H8 | 0.0° | 0.1° |
| H8 | C22 | C23 | H33 | 0.0° | 3.6° |
| H9 | C24 | C25 | H34 | 64.1° | 141.1° |
| H10 | C24 | C25 | H34 | 176.2° | 99.6° |
| H11 | C01 | H12 | H13 | 120.0° | 120.1° |
| H11 | C01 | C02 | H14 | 59.5° | 60.0° |
| H11 | C01 | C02 | H15 | 59.5° | 60.0° |
| H12 | C01 | C02 | H14 | 179.5° | 60.0° |
| H12 | C01 | C02 | H15 | 60.6° | 180.0° |
| H13 | C01 | C02 | H14 | 60.5° | 180.0° |
| H13 | C01 | C02 | H15 | 179.4° | 60.0° |
| H14 | C02 | C03 | H16 | 169.8° | 175.0° |
| H15 | C02 | C03 | H16 | 71.3° | 65.1° |
| H16 | C03 | C04 | H17 | 61.0° | 65.0° |
| H16 | C03 | C04 | H18 | 178.5° | 175.0° |
| H16 | C03 | C06 | H19 | 178.1° | 176.6° |
| H17 | C04 | O05 | H39 | 60.2° | 60.0° |
| H18 | C04 | O05 | H39 | 60.2° | 59.9° |
| H22 | C08 | H23 | H24 | 120.0° | 120.1° |
| H26 | C11 | C12 | H27 | 179.5° | 77.8° |
| H26 | C11 | C12 | H28 | 60.7° | 163.1° |
| H29 | C16 | H30 | H31 | 120.0° | 120.0° |
| H34 | C25 | C27 | H35 | 75.6° | 102.2° |
| H34 | C25 | O26 | H41 | 61.3° | 59.6° |
| H35 | C27 | O28 | H42 | 110.1° | 59.2° |
| H36 | C33 | H37 | H38 | 120.0° | 120.1° |
