ELR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.31Å | 1.35Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C20 | C18 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.31Å | 1.36Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.31Å | 1.34Å | |
| C18 | C19 | sing | 1.51Å | 1.49Å | |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | PA | sing | 1.61Å | 1.61Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| O3B | PB | sing | 1.61Å | 1.51Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| O1A | H18 | sing | 0.97Å | 0.95Å | |
| O1B | H19 | sing | 0.97Å | 0.95Å | |
| O3B | H20 | sing | 0.97Å | 0.95Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.08Å | 1.08Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | C9 | 119.6° | 120.0° |
| C10 | C8 | C7 | 124.6° | 120.1° |
| C8 | C10 | H34 | 109.5° | 109.4° |
| C8 | C10 | H35 | 109.5° | 109.5° |
| C8 | C10 | H36 | 109.4° | 109.4° |
| C8 | C9 | C11 | 108.0° | 109.5° |
| C9 | C8 | C7 | 115.8° | 119.9° |
| C8 | C9 | H37 | 109.8° | 109.5° |
| C8 | C9 | H38 | 109.8° | 109.5° |
| C9 | C11 | C12 | 116.8° | 109.5° |
| C9 | C11 | H1 | 107.6° | 109.5° |
| C9 | C11 | H2 | 107.6° | 109.5° |
| C11 | C9 | H37 | 109.8° | 109.4° |
| C11 | C9 | H38 | 109.8° | 109.5° |
| C14 | C13 | C12 | 123.9° | 120.0° |
| C14 | C13 | C15 | 119.7° | 120.0° |
| C13 | C14 | H4 | 109.5° | 109.5° |
| C13 | C14 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.4° | 109.5° |
| C8 | C7 | C6 | 123.9° | 120.0° |
| C8 | C7 | H33 | 118.0° | 120.1° |
| C11 | C12 | C13 | 125.0° | 120.0° |
| C12 | C11 | H1 | 107.6° | 109.5° |
| C12 | C11 | H2 | 107.6° | 109.5° |
| C11 | C12 | H3 | 117.5° | 120.0° |
| C20 | C18 | C17 | 121.9° | 120.0° |
| C20 | C18 | C19 | 118.8° | 120.0° |
| C18 | C20 | H15 | 109.5° | 109.5° |
| C18 | C20 | H16 | 109.5° | 109.5° |
| C18 | C20 | H17 | 109.4° | 109.5° |
| C7 | C6 | C5 | 105.5° | 109.5° |
| C7 | C6 | H31 | 110.4° | 109.4° |
| C7 | C6 | H32 | 110.5° | 109.5° |
| C6 | C7 | H33 | 118.1° | 119.9° |
| C12 | C13 | C15 | 116.4° | 120.0° |
| C13 | C12 | H3 | 117.5° | 120.0° |
| C13 | C15 | C16 | 112.3° | 109.5° |
| C13 | C15 | H7 | 108.8° | 109.5° |
| C13 | C15 | H8 | 108.8° | 109.5° |
| C6 | C5 | C3 | 113.6° | 109.5° |
| C6 | C5 | H29 | 108.4° | 109.4° |
| C6 | C5 | H30 | 108.4° | 109.5° |
| C5 | C6 | H31 | 110.4° | 109.5° |
| C5 | C6 | H32 | 110.4° | 109.5° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C16 | C15 | H7 | 108.8° | 109.4° |
| C16 | C15 | H8 | 108.8° | 109.5° |
| C15 | C16 | H9 | 109.3° | 109.5° |
| C15 | C16 | H10 | 109.3° | 109.5° |
| C16 | C17 | C18 | 121.8° | 120.0° |
| C17 | C16 | H9 | 109.3° | 109.4° |
| C17 | C16 | H10 | 109.3° | 109.5° |
| C16 | C17 | H11 | 119.1° | 120.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C18 | C17 | H11 | 119.1° | 120.0° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C5 | C3 | C2 | 109.0° | 109.5° |
| C5 | C3 | C4 | 109.5° | 109.5° |
| C5 | C3 | H25 | 108.6° | 109.4° |
| C3 | C5 | H29 | 108.4° | 109.5° |
| C3 | C5 | H30 | 108.4° | 109.5° |
| C2 | C3 | C4 | 112.7° | 109.5° |
| C3 | C2 | C1 | 112.0° | 109.5° |
| C3 | C2 | H23 | 108.8° | 109.5° |
| C3 | C2 | H24 | 108.8° | 109.5° |
| C2 | C3 | H25 | 108.5° | 109.5° |
| C4 | C3 | H25 | 108.5° | 109.5° |
| C3 | C4 | H26 | 109.5° | 109.5° |
| C3 | C4 | H27 | 109.5° | 109.5° |
| C3 | C4 | H28 | 109.5° | 109.5° |
| C2 | C1 | O1 | 110.3° | 109.5° |
| C2 | C1 | H21 | 109.3° | 109.5° |
| C2 | C1 | H22 | 109.3° | 109.4° |
| C1 | C2 | H23 | 108.9° | 109.5° |
| C1 | C2 | H24 | 108.8° | 109.4° |
| C1 | O1 | PA | 119.7° | 123.0° |
| O1 | C1 | H21 | 109.2° | 109.5° |
| O1 | C1 | H22 | 109.2° | 109.5° |
| O1 | PA | O3A | 110.3° | 109.5° |
| O1 | PA | O2A | 107.7° | 109.5° |
| O1 | PA | O1A | 109.0° | 109.5° |
| O3A | PA | O2A | 108.9° | 109.5° |
| O3A | PA | O1A | 111.0° | 109.5° |
| PA | O3A | PB | 126.8° | 134.0° |
| O2A | PA | O1A | 109.9° | 109.5° |
| PA | O1A | H18 | 109.5° | 114.0° |
| O3A | PB | O2B | 109.1° | 109.4° |
| O3A | PB | O3B | 110.9° | 109.5° |
| O3A | PB | O1B | 108.9° | 109.5° |
| O2B | PB | O3B | 108.3° | 109.5° |
| O2B | PB | O1B | 110.0° | 109.5° |
| O3B | PB | O1B | 109.7° | 109.5° |
| PB | O3B | H20 | 109.5° | 114.0° |
| PB | O1B | H19 | 109.5° | 114.0° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H4 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H17 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.5° |
| H26 | C4 | H27 | 109.5° | 109.5° |
| H26 | C4 | H28 | 109.5° | 109.4° |
| H27 | C4 | H28 | 109.5° | 109.4° |
| H29 | C5 | H30 | 109.5° | 109.4° |
| H31 | C6 | H32 | 109.5° | 109.5° |
| H34 | C10 | H35 | 109.5° | 109.5° |
| H34 | C10 | H36 | 109.5° | 109.5° |
| H35 | C10 | H36 | 109.5° | 109.5° |
| H37 | C9 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | C9 | C7 | 179.5° | 180.0° |
| C10 | C8 | C9 | C11 | 73.2° | 85.0° |
| C10 | C8 | C7 | C6 | 0.7° | 1.0° |
| C10 | C8 | C7 | H33 | 179.3° | 179.0° |
| C8 | C10 | H34 | H35 | 120.0° | 120.1° |
| C8 | C10 | H34 | H36 | 120.0° | 119.9° |
| C8 | C10 | H35 | H36 | 120.0° | 120.0° |
| C10 | C8 | C9 | H37 | 167.1° | 155.0° |
| C10 | C8 | C9 | H38 | 46.6° | 35.0° |
| C8 | C9 | C11 | H37 | 119.8° | 120.0° |
| C8 | C9 | C11 | H38 | 119.8° | 120.0° |
| C8 | C9 | C11 | C12 | 123.4° | 180.0° |
| C9 | C8 | C7 | C6 | 178.8° | 178.9° |
| C8 | C9 | C11 | H1 | 115.6° | 60.0° |
| C8 | C9 | C11 | H2 | 2.4° | 60.0° |
| C9 | C8 | C7 | H33 | 1.2° | 1.1° |
| C9 | C8 | C10 | H34 | 180.0° | 95.9° |
| C9 | C8 | C10 | H35 | 60.0° | 24.2° |
| C9 | C8 | C10 | H36 | 60.0° | 144.2° |
| C8 | C9 | H37 | H38 | 120.6° | 120.0° |
| C11 | C9 | C8 | C7 | 106.3° | 95.0° |
| C9 | C11 | C12 | H1 | 121.1° | 120.0° |
| C9 | C11 | C12 | H2 | 121.1° | 120.0° |
| C9 | C11 | C12 | C13 | 104.8° | 119.2° |
| C9 | C11 | H1 | H2 | 116.7° | 120.0° |
| C9 | C11 | C12 | H3 | 75.2° | 60.7° |
| C11 | C9 | H37 | H38 | 120.7° | 120.0° |
| C14 | C13 | C12 | C11 | 3.1° | 2.5° |
| C14 | C13 | C12 | C15 | 179.2° | 179.9° |
| C14 | C13 | C15 | C16 | 15.5° | 85.0° |
| C14 | C13 | C12 | H3 | 177.0° | 177.4° |
| C13 | C14 | H4 | H5 | 120.0° | 120.0° |
| C13 | C14 | H4 | H6 | 120.0° | 120.0° |
| C13 | C14 | H5 | H6 | 120.0° | 120.0° |
| C14 | C13 | C15 | H7 | 104.9° | 35.0° |
| C14 | C13 | C15 | H8 | 135.9° | 155.0° |
| C8 | C7 | C6 | H33 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 103.0° | 116.8° |
| C8 | C7 | C6 | H31 | 16.4° | 3.1° |
| C8 | C7 | C6 | H32 | 137.6° | 123.1° |
| C7 | C8 | C10 | H34 | 0.6° | 84.2° |
| C7 | C8 | C10 | H35 | 119.5° | 155.8° |
| C7 | C8 | C10 | H36 | 120.6° | 35.7° |
| C7 | C8 | C9 | H37 | 13.4° | 25.0° |
| C7 | C8 | C9 | H38 | 133.9° | 145.0° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 177.8° | 177.4° |
| C12 | C11 | H1 | H2 | 116.7° | 120.0° |
| C12 | C11 | C9 | H37 | 3.7° | 60.0° |
| C12 | C11 | C9 | H38 | 116.8° | 60.0° |
| C20 | C18 | C17 | C16 | 0.2° | 8.3° |
| C20 | C18 | C17 | C19 | 179.6° | 180.0° |
| C20 | C18 | C17 | H11 | 179.9° | 171.7° |
| C20 | C18 | C19 | H12 | 180.0° | 90.0° |
| C20 | C18 | C19 | H13 | 60.0° | 150.0° |
| C20 | C18 | C19 | H14 | 60.0° | 30.0° |
| C18 | C20 | H15 | H16 | 120.0° | 120.0° |
| C18 | C20 | H15 | H17 | 120.0° | 120.0° |
| C18 | C20 | H16 | H17 | 120.0° | 120.0° |
| C7 | C6 | C5 | H31 | 119.4° | 120.0° |
| C7 | C6 | C5 | H32 | 119.4° | 120.0° |
| C7 | C6 | C5 | C3 | 146.0° | 180.0° |
| C7 | C6 | C5 | H29 | 93.4° | 60.0° |
| C7 | C6 | C5 | H30 | 25.4° | 59.9° |
| C7 | C6 | H31 | H32 | 121.9° | 120.0° |
| C12 | C13 | C15 | C16 | 163.7° | 95.1° |
| C13 | C12 | C11 | H1 | 16.2° | 120.8° |
| C13 | C12 | C11 | H2 | 134.1° | 0.8° |
| C12 | C13 | C14 | H4 | 180.0° | 84.3° |
| C12 | C13 | C14 | H5 | 60.0° | 155.7° |
| C12 | C13 | C14 | H6 | 60.0° | 35.7° |
| C12 | C13 | C15 | H7 | 75.9° | 145.0° |
| C12 | C13 | C15 | H8 | 43.3° | 25.0° |
| C13 | C15 | C16 | H7 | 120.4° | 120.0° |
| C13 | C15 | C16 | H8 | 120.4° | 120.0° |
| C13 | C15 | C16 | C17 | 175.5° | 180.0° |
| C15 | C13 | C12 | H3 | 2.2° | 2.7° |
| C15 | C13 | C14 | H4 | 0.8° | 95.6° |
| C15 | C13 | C14 | H5 | 119.2° | 24.4° |
| C15 | C13 | C14 | H6 | 120.9° | 144.3° |
| C13 | C15 | H7 | H8 | 118.7° | 120.0° |
| C13 | C15 | C16 | H9 | 64.4° | 60.1° |
| C13 | C15 | C16 | H10 | 55.4° | 60.0° |
| C6 | C5 | C3 | H29 | 120.6° | 120.0° |
| C6 | C5 | C3 | H30 | 120.6° | 120.1° |
| C6 | C5 | C3 | C2 | 72.2° | 175.0° |
| C6 | C5 | C3 | C4 | 164.1° | 65.0° |
| C6 | C5 | C3 | H25 | 45.8° | 55.0° |
| C6 | C5 | H29 | H30 | 118.1° | 120.0° |
| C5 | C6 | H31 | H32 | 121.8° | 120.0° |
| C5 | C6 | C7 | H33 | 77.0° | 63.2° |
| C15 | C16 | C17 | H9 | 120.1° | 120.0° |
| C15 | C16 | C17 | H10 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 172.2° | 128.3° |
| C16 | C15 | H7 | H8 | 118.7° | 120.0° |
| C15 | C16 | H9 | H10 | 119.7° | 120.1° |
| C15 | C16 | C17 | H11 | 7.8° | 51.7° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.4° | 171.7° |
| C17 | C16 | C15 | H7 | 55.1° | 60.0° |
| C17 | C16 | C15 | H8 | 64.1° | 60.0° |
| C17 | C16 | H9 | H10 | 119.7° | 120.0° |
| C18 | C17 | C16 | H9 | 52.2° | 8.3° |
| C18 | C17 | C16 | H10 | 67.6° | 111.7° |
| C17 | C18 | C19 | H12 | 0.5° | 90.0° |
| C17 | C18 | C19 | H13 | 120.4° | 30.0° |
| C17 | C18 | C19 | H14 | 119.5° | 150.0° |
| C17 | C18 | C20 | H15 | 180.0° | 3.5° |
| C17 | C18 | C20 | H16 | 60.0° | 123.5° |
| C17 | C18 | C20 | H17 | 60.0° | 116.5° |
| C19 | C18 | C17 | H11 | 0.6° | 8.3° |
| C18 | C19 | H12 | H13 | 120.0° | 120.1° |
| C18 | C19 | H12 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C19 | C18 | C20 | H15 | 0.5° | 176.5° |
| C19 | C18 | C20 | H16 | 120.5° | 56.5° |
| C19 | C18 | C20 | H17 | 119.6° | 63.5° |
| C5 | C3 | C2 | C4 | 121.8° | 120.0° |
| C5 | C3 | C2 | H25 | 118.1° | 119.9° |
| C5 | C3 | C4 | H25 | 118.3° | 119.9° |
| C5 | C3 | C2 | C1 | 166.2° | 175.0° |
| C5 | C3 | C2 | H23 | 45.8° | 65.0° |
| C5 | C3 | C2 | H24 | 73.4° | 55.0° |
| C5 | C3 | C4 | H26 | 180.0° | 60.1° |
| C5 | C3 | C4 | H27 | 60.0° | 60.0° |
| C5 | C3 | C4 | H28 | 60.0° | 180.0° |
| C3 | C5 | H29 | H30 | 118.1° | 120.0° |
| C3 | C5 | C6 | H31 | 26.7° | 60.0° |
| C3 | C5 | C6 | H32 | 94.6° | 60.0° |
| C2 | C3 | C4 | H25 | 120.1° | 120.1° |
| C3 | C2 | C1 | H23 | 120.4° | 120.0° |
| C3 | C2 | C1 | H24 | 120.4° | 120.0° |
| C3 | C2 | C1 | O1 | 136.0° | 180.0° |
| C3 | C2 | C1 | H21 | 15.9° | 60.0° |
| C3 | C2 | C1 | H22 | 103.9° | 60.0° |
| C3 | C2 | H23 | H24 | 118.8° | 120.0° |
| C2 | C3 | C4 | H26 | 58.5° | 59.9° |
| C2 | C3 | C4 | H27 | 61.6° | 180.0° |
| C2 | C3 | C4 | H28 | 178.4° | 60.0° |
| C2 | C3 | C5 | H29 | 48.5° | 65.0° |
| C2 | C3 | C5 | H30 | 167.2° | 54.9° |
| C4 | C3 | C2 | C1 | 72.0° | 65.0° |
| C4 | C3 | C2 | H23 | 167.7° | 55.0° |
| C4 | C3 | C2 | H24 | 48.4° | 175.0° |
| C3 | C4 | H26 | H27 | 120.0° | 120.1° |
| C3 | C4 | H26 | H28 | 120.0° | 120.0° |
| C3 | C4 | H27 | H28 | 120.0° | 120.0° |
| C4 | C3 | C5 | H29 | 75.3° | 55.0° |
| C4 | C3 | C5 | H30 | 43.5° | 175.0° |
| C2 | C1 | O1 | H21 | 120.1° | 120.0° |
| C2 | C1 | O1 | H22 | 120.1° | 120.0° |
| C2 | C1 | O1 | PA | 78.3° | 180.0° |
| C2 | C1 | H21 | H22 | 119.6° | 120.0° |
| C1 | C2 | H23 | H24 | 118.9° | 120.0° |
| C1 | C2 | C3 | H25 | 48.2° | 55.1° |
| C1 | O1 | PA | O3A | 34.4° | 175.0° |
| C1 | O1 | PA | O2A | 84.3° | 55.0° |
| C1 | O1 | PA | O1A | 156.5° | 65.0° |
| O1 | C1 | H21 | H22 | 119.6° | 120.0° |
| O1 | C1 | C2 | H23 | 103.6° | 60.0° |
| O1 | C1 | C2 | H24 | 15.7° | 60.0° |
| O1 | PA | O3A | O2A | 118.0° | 120.0° |
| O1 | PA | O3A | O1A | 120.9° | 120.0° |
| O1 | PA | O2A | O1A | 118.6° | 120.0° |
| O1 | PA | O3A | PB | 108.6° | 160.0° |
| O1 | PA | O1A | H18 | 117.8° | 60.0° |
| PA | O1 | C1 | H21 | 41.9° | 60.0° |
| PA | O1 | C1 | H22 | 161.6° | 60.1° |
| O3A | PA | O2A | O1A | 121.8° | 120.0° |
| PA | O3A | PB | O2B | 155.7° | 40.0° |
| PA | O3A | PB | O3B | 36.6° | 160.0° |
| PA | O3A | PB | O1B | 84.2° | 80.0° |
| O3A | PA | O1A | H18 | 120.6° | 60.0° |
| O2A | PA | O3A | PB | 133.4° | 40.0° |
| O2A | PA | O1A | H18 | 0.0° | 179.9° |
| O1A | PA | O3A | PB | 12.3° | 80.0° |
| O3A | PB | O2B | O3B | 120.7° | 120.0° |
| O3A | PB | O2B | O1B | 119.4° | 120.0° |
| O3A | PB | O3B | O1B | 120.3° | 120.0° |
| O3A | PB | O1B | H19 | 119.5° | 60.0° |
| O3A | PB | O3B | H20 | 119.6° | 180.0° |
| O2B | PB | O3B | O1B | 120.1° | 120.0° |
| O2B | PB | O1B | H19 | 0.0° | 179.9° |
| O2B | PB | O3B | H20 | 0.0° | 60.0° |
| O3B | PB | O1B | H19 | 119.0° | 60.0° |
| O1B | PB | O3B | H20 | 120.1° | 60.0° |
| H1 | C11 | C12 | H3 | 163.8° | 59.3° |
| H1 | C11 | C9 | H37 | 124.7° | 180.0° |
| H1 | C11 | C9 | H38 | 4.2° | 60.0° |
| H2 | C11 | C12 | H3 | 45.9° | 179.3° |
| H2 | C11 | C9 | H37 | 117.4° | 60.0° |
| H2 | C11 | C9 | H38 | 122.1° | 180.0° |
| H4 | C14 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | C16 | H9 | 175.2° | 180.0° |
| H7 | C15 | C16 | H10 | 65.0° | 60.0° |
| H8 | C15 | C16 | H9 | 56.0° | 60.0° |
| H8 | C15 | C16 | H10 | 175.8° | 180.0° |
| H9 | C16 | C17 | H11 | 127.8° | 171.7° |
| H10 | C16 | C17 | H11 | 112.4° | 68.3° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H15 | C20 | H16 | H17 | 120.0° | 120.0° |
| H21 | C1 | C2 | H23 | 136.3° | 180.0° |
| H21 | C1 | C2 | H24 | 104.4° | 60.0° |
| H22 | C1 | C2 | H23 | 16.5° | 60.0° |
| H22 | C1 | C2 | H24 | 135.8° | 180.0° |
| H23 | C2 | C3 | H25 | 72.2° | 175.0° |
| H24 | C2 | C3 | H25 | 168.5° | 64.9° |
| H25 | C3 | C4 | H26 | 61.6° | NaN° |
| H25 | C3 | C4 | H27 | 178.3° | 59.9° |
| H25 | C3 | C4 | H28 | 58.3° | 60.0° |
| H25 | C3 | C5 | H29 | 166.4° | 175.0° |
| H25 | C3 | C5 | H30 | 74.8° | 65.0° |
| H26 | C4 | H27 | H28 | 120.0° | 119.9° |
| H29 | C5 | C6 | H31 | 147.3° | 180.0° |
| H29 | C5 | C6 | H32 | 26.0° | 60.0° |
| H30 | C5 | C6 | H31 | 94.0° | 60.1° |
| H30 | C5 | C6 | H32 | 144.8° | 179.9° |
| H31 | C6 | C7 | H33 | 163.6° | 176.8° |
| H32 | C6 | C7 | H33 | 42.4° | 56.9° |
| H34 | C10 | H35 | H36 | 120.0° | 120.0° |
