IJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.45Å | |
| C7 | N8 | sing | 1.34Å | 1.36Å | Aromatic |
| N8 | C9 | doub | 1.31Å | 1.35Å | Aromatic |
| C9 | N10 | sing | 1.35Å | 1.35Å | Aromatic |
| C7 | N11 | doub | 1.31Å | 1.32Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.35Å | Aromatic |
| N10 | C12 | sing | 1.40Å | 1.43Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | N17 | sing | 1.32Å | 1.38Å | Aromatic |
| C15 | N17 | doub | 1.32Å | 1.40Å | Aromatic |
| C9 | C18 | sing | 1.51Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| N21 | N22 | sing | 1.40Å | 1.38Å | Aromatic |
| N22 | C23 | doub | 1.31Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.37Å | Aromatic |
| N21 | C25 | sing | 1.36Å | 1.35Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| N20 | C26 | sing | 1.35Å | 1.40Å | |
| C25 | C26 | sing | 1.47Å | 1.48Å | |
| C26 | O27 | doub | 1.22Å | 1.19Å | |
| C24 | C28 | sing | 1.48Å | 1.53Å | |
| C28 | N29 | sing | 1.35Å | 1.37Å | |
| C28 | O30 | doub | 1.22Å | 1.18Å | |
| N29 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.47Å | |
| N29 | C33 | sing | 1.47Å | 1.44Å | |
| C32 | C33 | sing | 1.54Å | 1.48Å | |
| N21 | C34 | sing | 1.46Å | 1.45Å | |
| C13 | H40 | sing | 1.08Å | 1.08Å | |
| C15 | H42 | sing | 1.08Å | 1.08Å | |
| C16 | H43 | sing | 1.08Å | 1.08Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H49 | sing | 1.08Å | 1.08Å | |
| C1 | H35 | sing | 1.08Å | 1.08Å | |
| C3 | H36 | sing | 1.08Å | 1.08Å | |
| C4 | H37 | sing | 1.08Å | 1.08Å | |
| C5 | H38 | sing | 1.08Å | 1.08Å | |
| C6 | H39 | sing | 1.08Å | 1.08Å | |
| C14 | H41 | sing | 1.08Å | 1.08Å | |
| N20 | H48 | sing | 0.97Å | 1.00Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.4° | 119.8° |
| C2 | C1 | C6 | 116.2° | 119.9° |
| C1 | C2 | C7 | 119.6° | 120.1° |
| C2 | C1 | H35 | 121.9° | 120.1° |
| C2 | C3 | C4 | 119.9° | 119.9° |
| C3 | C2 | C7 | 118.1° | 120.1° |
| C2 | C3 | H36 | 120.1° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C4 | C3 | H36 | 120.1° | 120.1° |
| C3 | C4 | H37 | 120.1° | 119.9° |
| C4 | C5 | C6 | 119.1° | 120.2° |
| C5 | C4 | H37 | 120.1° | 119.9° |
| C4 | C5 | H38 | 120.4° | 119.9° |
| C1 | C6 | C5 | 122.6° | 120.1° |
| C6 | C1 | H35 | 121.9° | 120.1° |
| C1 | C6 | H39 | 118.7° | 120.0° |
| C6 | C5 | H38 | 120.5° | 119.9° |
| C5 | C6 | H39 | 118.7° | 119.9° |
| C2 | C7 | N8 | 126.0° | 125.6° |
| C2 | C7 | N11 | 122.9° | 125.6° |
| C7 | N8 | C9 | 104.8° | 109.8° |
| N8 | C7 | N11 | 111.1° | 108.8° |
| N8 | C9 | N10 | 109.2° | 108.3° |
| N8 | C9 | C18 | 124.7° | 125.8° |
| C9 | N10 | N11 | 107.7° | 106.4° |
| C9 | N10 | C12 | 128.8° | 126.8° |
| N10 | C9 | C18 | 126.1° | 125.9° |
| C7 | N11 | N10 | 107.1° | 106.7° |
| N11 | N10 | C12 | 123.4° | 126.8° |
| N10 | C12 | C13 | 117.7° | 119.7° |
| N10 | C12 | N17 | 121.6° | 119.6° |
| C12 | C13 | C16 | 119.5° | 119.1° |
| C13 | C12 | N17 | 120.6° | 120.7° |
| C12 | C13 | H40 | 120.3° | 120.4° |
| C15 | C14 | C16 | 120.7° | 119.3° |
| C14 | C15 | N17 | 119.2° | 120.8° |
| C14 | C15 | H42 | 120.4° | 119.7° |
| C15 | C14 | H41 | 119.7° | 120.3° |
| C13 | C16 | C14 | 120.6° | 118.5° |
| C16 | C13 | H40 | 120.3° | 120.5° |
| C13 | C16 | H43 | 119.7° | 120.7° |
| C14 | C16 | H43 | 119.7° | 120.8° |
| C16 | C14 | H41 | 119.7° | 120.3° |
| C12 | N17 | C15 | 119.4° | 121.6° |
| N17 | C15 | H42 | 120.4° | 119.5° |
| C9 | C18 | C19 | 109.2° | 109.5° |
| C9 | C18 | H45 | 109.5° | 109.5° |
| C9 | C18 | H44 | 109.6° | 109.5° |
| C18 | C19 | N20 | 106.9° | 109.5° |
| C19 | C18 | H45 | 109.5° | 109.5° |
| C19 | C18 | H44 | 109.5° | 109.4° |
| C18 | C19 | H46 | 110.1° | 109.5° |
| C18 | C19 | H47 | 110.1° | 109.5° |
| C19 | N20 | C26 | 120.1° | 120.0° |
| N20 | C19 | H46 | 110.1° | 109.5° |
| N20 | C19 | H47 | 110.1° | 109.5° |
| C19 | N20 | H48 | 119.9° | 120.0° |
| N21 | N22 | C23 | 108.1° | 109.2° |
| N22 | N21 | C25 | 110.1° | 108.2° |
| N22 | N21 | C34 | 125.5° | 125.9° |
| N22 | C23 | C24 | 107.1° | 108.5° |
| N22 | C23 | H49 | 126.4° | 125.8° |
| C23 | C24 | C25 | 109.8° | 107.2° |
| C23 | C24 | C28 | 119.0° | 126.4° |
| C24 | C23 | H49 | 126.4° | 125.8° |
| N21 | C25 | C24 | 104.9° | 107.0° |
| N21 | C25 | C26 | 124.0° | 126.6° |
| C25 | N21 | C34 | 124.2° | 125.9° |
| C24 | C25 | C26 | 130.9° | 126.5° |
| C25 | C24 | C28 | 131.2° | 126.4° |
| N20 | C26 | C25 | 120.8° | 120.0° |
| N20 | C26 | O27 | 116.3° | 120.0° |
| C26 | N20 | H48 | 119.9° | 120.0° |
| C25 | C26 | O27 | 122.9° | 120.0° |
| C24 | C28 | N29 | 123.2° | 120.0° |
| C24 | C28 | O30 | 119.7° | 120.0° |
| N29 | C28 | O30 | 116.2° | 120.0° |
| C28 | N29 | C31 | 134.1° | 136.1° |
| C28 | N29 | C33 | 135.2° | 136.0° |
| N29 | C31 | C32 | 85.4° | 88.0° |
| C31 | N29 | C33 | 90.3° | 87.9° |
| N29 | C31 | H50 | 115.1° | 113.4° |
| N29 | C31 | H51 | 115.1° | 113.5° |
| C31 | C32 | C33 | 88.6° | 83.2° |
| C32 | C31 | H50 | 115.1° | 113.5° |
| C32 | C31 | H51 | 115.1° | 113.5° |
| C31 | C32 | H52 | 114.4° | 114.2° |
| C31 | C32 | H53 | 114.4° | 114.2° |
| N29 | C33 | C32 | 86.0° | 87.9° |
| N29 | C33 | H55 | 115.0° | 113.5° |
| N29 | C33 | H54 | 115.0° | 113.5° |
| C33 | C32 | H52 | 114.4° | 114.4° |
| C33 | C32 | H53 | 114.4° | 114.1° |
| C32 | C33 | H55 | 115.0° | 113.4° |
| C32 | C33 | H54 | 115.0° | 113.5° |
| N21 | C34 | H57 | 109.5° | 109.5° |
| N21 | C34 | H58 | 109.4° | 109.5° |
| N21 | C34 | H56 | 109.4° | 109.5° |
| H45 | C18 | H44 | 109.5° | 109.5° |
| H46 | C19 | H47 | 109.5° | 109.5° |
| H50 | C31 | H51 | 109.4° | 112.7° |
| H52 | C32 | H53 | 109.5° | 113.4° |
| H55 | C33 | H54 | 109.5° | 112.8° |
| H57 | C34 | H58 | 109.5° | 109.5° |
| H57 | C34 | H56 | 109.5° | 109.4° |
| H58 | C34 | H56 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 178.8° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | C1 | C6 | H35 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 1.0° | 0.1° |
| C1 | C2 | C7 | N8 | 173.0° | 180.0° |
| C1 | C2 | C7 | N11 | 9.8° | 0.3° |
| C1 | C2 | C3 | H36 | 179.0° | 180.0° |
| C2 | C1 | C6 | H39 | 179.0° | 180.0° |
| C2 | C3 | C4 | H36 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | C6 | 1.4° | 0.1° |
| C3 | C2 | C7 | N8 | 5.9° | 0.1° |
| C3 | C2 | C7 | N11 | 171.3° | 179.6° |
| C3 | C2 | C1 | H35 | 178.6° | 179.8° |
| C2 | C3 | C4 | H37 | 179.9° | 180.0° |
| C3 | C4 | C5 | H37 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C2 | C7 | 179.8° | 180.0° |
| C3 | C4 | C5 | H38 | 179.7° | 179.9° |
| C4 | C5 | C6 | C1 | 0.2° | 0.1° |
| C4 | C5 | C6 | H38 | 180.0° | 179.9° |
| C5 | C4 | C3 | H36 | 179.9° | 180.0° |
| C4 | C5 | C6 | H39 | 179.8° | 179.9° |
| C1 | C6 | C5 | H39 | 180.0° | 179.8° |
| C6 | C1 | C2 | C7 | 179.8° | 179.9° |
| C1 | C6 | C5 | H38 | 179.8° | 180.0° |
| C5 | C6 | C1 | H35 | 179.0° | 179.7° |
| C6 | C5 | C4 | H37 | 179.7° | 180.0° |
| C2 | C7 | N8 | N11 | 177.5° | 179.7° |
| C2 | C7 | N8 | C9 | 178.9° | 180.0° |
| C2 | C7 | N11 | N10 | 179.5° | 179.9° |
| C7 | C2 | C1 | H35 | 0.2° | 0.3° |
| C7 | C2 | C3 | H36 | 0.2° | 0.1° |
| C7 | N8 | C9 | N10 | 2.8° | 0.0° |
| N8 | C7 | N11 | N10 | 2.9° | 0.4° |
| C7 | N8 | C9 | C18 | 179.0° | 180.0° |
| N8 | C9 | N10 | C18 | 178.2° | 180.0° |
| C9 | N8 | C7 | N11 | 3.6° | 0.2° |
| N8 | C9 | N10 | N11 | 1.2° | 0.2° |
| N8 | C9 | N10 | C12 | 176.6° | 180.0° |
| N8 | C9 | C18 | C19 | 48.3° | 90.1° |
| N8 | C9 | C18 | H45 | 71.6° | 29.9° |
| N8 | C9 | C18 | H44 | 168.2° | 150.0° |
| C9 | N10 | N11 | C7 | 1.1° | 0.3° |
| C9 | N10 | N11 | C12 | 177.9° | 179.8° |
| C9 | N10 | C12 | C13 | 134.4° | 155.0° |
| C9 | N10 | C12 | N17 | 47.9° | 25.0° |
| N10 | C9 | C18 | C19 | 133.8° | 90.0° |
| N10 | C9 | C18 | H45 | 106.3° | 150.0° |
| N10 | C9 | C18 | H44 | 13.9° | 30.0° |
| C7 | N11 | N10 | C12 | 179.0° | 179.8° |
| N11 | N10 | C12 | C13 | 43.0° | 24.7° |
| N11 | N10 | C12 | N17 | 134.7° | 155.2° |
| N11 | N10 | C9 | C18 | 179.3° | 179.8° |
| N10 | C12 | C13 | N17 | 177.7° | 180.0° |
| N10 | C12 | C13 | C16 | 178.8° | 180.0° |
| N10 | C12 | N17 | C15 | 179.9° | 179.4° |
| C12 | N10 | C9 | C18 | 1.6° | 0.0° |
| N10 | C12 | C13 | H40 | 1.2° | 0.3° |
| C12 | C13 | C16 | H40 | 180.0° | 179.7° |
| C12 | C13 | C16 | C14 | 1.0° | 0.3° |
| C13 | C12 | N17 | C15 | 2.5° | 0.6° |
| C12 | C13 | C16 | H43 | 179.0° | 179.8° |
| C15 | C14 | C16 | C13 | 1.9° | 0.0° |
| C15 | C14 | C16 | H41 | 180.0° | 179.4° |
| C14 | C15 | N17 | C12 | 1.6° | 0.9° |
| C14 | C15 | N17 | H42 | 180.0° | 179.1° |
| C15 | C14 | C16 | H43 | 178.1° | 180.0° |
| C13 | C16 | C14 | H43 | 180.0° | 180.0° |
| C16 | C13 | C12 | N17 | 1.2° | 0.0° |
| C13 | C16 | C14 | H41 | 178.1° | 179.4° |
| C16 | C14 | C15 | N17 | 0.5° | 0.6° |
| C14 | C16 | C13 | H40 | 178.9° | 180.0° |
| C16 | C14 | C15 | H42 | 179.4° | 179.7° |
| N17 | C12 | C13 | H40 | 178.8° | 179.7° |
| C12 | N17 | C15 | H42 | 178.4° | 180.0° |
| N17 | C15 | C14 | H41 | 179.5° | 180.0° |
| C9 | C18 | C19 | H45 | 119.9° | 120.0° |
| C9 | C18 | C19 | H44 | 120.0° | 120.0° |
| C9 | C18 | C19 | N20 | 162.5° | 180.0° |
| C9 | C18 | H45 | H44 | 120.2° | 120.1° |
| C9 | C18 | C19 | H46 | 42.9° | 60.0° |
| C9 | C18 | C19 | H47 | 77.9° | 60.0° |
| C18 | C19 | N20 | H46 | 119.6° | 120.0° |
| C18 | C19 | N20 | H47 | 119.6° | 120.0° |
| C18 | C19 | N20 | C26 | 96.4° | 180.0° |
| C19 | C18 | H45 | H44 | 120.1° | 119.9° |
| C18 | C19 | H46 | H47 | 121.2° | 120.0° |
| C18 | C19 | N20 | H48 | 83.6° | 0.1° |
| C19 | N20 | C26 | H48 | 180.0° | 179.9° |
| C19 | N20 | C26 | C25 | 177.2° | 174.8° |
| C19 | N20 | C26 | O27 | 3.2° | 5.1° |
| N20 | C19 | C18 | H45 | 77.5° | 60.0° |
| N20 | C19 | C18 | H44 | 42.6° | 60.0° |
| N20 | C19 | H46 | H47 | 121.2° | 120.0° |
| N21 | N22 | C23 | C24 | 0.8° | 0.4° |
| N22 | N21 | C25 | C34 | 174.9° | 179.7° |
| N22 | N21 | C25 | C24 | 0.1° | 0.2° |
| N22 | N21 | C25 | C26 | 175.8° | 179.8° |
| N21 | N22 | C23 | H49 | 179.2° | 179.9° |
| N22 | N21 | C34 | H57 | 0.0° | 95.1° |
| N22 | N21 | C34 | H58 | 120.0° | 144.9° |
| N22 | N21 | C34 | H56 | 120.0° | 24.9° |
| N22 | C23 | C24 | H49 | 180.0° | 179.8° |
| C23 | N22 | N21 | C25 | 0.4° | 0.4° |
| N22 | C23 | C24 | C25 | 0.8° | 0.2° |
| N22 | C23 | C24 | C28 | 179.4° | 179.8° |
| C23 | N22 | N21 | C34 | 175.2° | 180.0° |
| C23 | C24 | C25 | N21 | 0.5° | 0.0° |
| C23 | C24 | C25 | C28 | 179.7° | 180.0° |
| C23 | C24 | C25 | C26 | 175.8° | 180.0° |
| C23 | C24 | C28 | N29 | 30.2° | 0.0° |
| C23 | C24 | C28 | O30 | 138.6° | 180.0° |
| N21 | C25 | C24 | C26 | 175.3° | 180.0° |
| N21 | C25 | C26 | N20 | 159.6° | 80.9° |
| N21 | C25 | C26 | O27 | 20.0° | 99.0° |
| N21 | C25 | C24 | C28 | 179.7° | 180.0° |
| C25 | N21 | C34 | H57 | 174.1° | 85.3° |
| C25 | N21 | C34 | H58 | 54.1° | 34.7° |
| C25 | N21 | C34 | H56 | 65.9° | 154.7° |
| C24 | C25 | C26 | N20 | 25.9° | 99.1° |
| C24 | C25 | C26 | O27 | 154.4° | 81.0° |
| C25 | C24 | C28 | N29 | 150.1° | 180.0° |
| C25 | C24 | C28 | O30 | 41.1° | 0.0° |
| C24 | C25 | N21 | C34 | 174.8° | 179.9° |
| C25 | C24 | C23 | H49 | 179.2° | 180.0° |
| N20 | C26 | C25 | O27 | 179.6° | 179.9° |
| C26 | N20 | C19 | H46 | 144.0° | 60.1° |
| C26 | N20 | C19 | H47 | 23.2° | 59.9° |
| C26 | C25 | C24 | C28 | 4.4° | 0.0° |
| C26 | C25 | N21 | C34 | 0.9° | 0.1° |
| C25 | C26 | N20 | H48 | 2.8° | 5.3° |
| O27 | C26 | N20 | H48 | 176.8° | 174.8° |
| C24 | C28 | N29 | O30 | 169.2° | 180.0° |
| C24 | C28 | N29 | C31 | 172.7° | 180.0° |
| C24 | C28 | N29 | C33 | 16.7° | 0.4° |
| C28 | C24 | C23 | H49 | 0.6° | 0.0° |
| C28 | N29 | C31 | C33 | 173.4° | 179.7° |
| C28 | N29 | C31 | C32 | 149.8° | 152.9° |
| C28 | N29 | C33 | C32 | 149.8° | 153.0° |
| C28 | N29 | C31 | H50 | 94.5° | 38.1° |
| C28 | N29 | C31 | H51 | 34.2° | 92.3° |
| C28 | N29 | C33 | H55 | 34.1° | 92.3° |
| C28 | N29 | C33 | H54 | 94.5° | 38.2° |
| O30 | C28 | N29 | C31 | 3.5° | 0.0° |
| O30 | C28 | N29 | C33 | 174.1° | 179.6° |
| N29 | C31 | C32 | H50 | 115.6° | 114.7° |
| N29 | C31 | C32 | H51 | 115.6° | 114.8° |
| C31 | N29 | C33 | C32 | 23.4° | 27.3° |
| N29 | C31 | H50 | H51 | 131.5° | 130.8° |
| N29 | C31 | C32 | H52 | 139.3° | 87.5° |
| N29 | C31 | C32 | H53 | 93.3° | 139.7° |
| C31 | N29 | C33 | H55 | 139.2° | 87.4° |
| C31 | N29 | C33 | H54 | 92.3° | 142.1° |
| C31 | C32 | C33 | H52 | 116.3° | 113.6° |
| C31 | C32 | C33 | H53 | 116.3° | 113.5° |
| C32 | C31 | H50 | H51 | 131.5° | 130.8° |
| C31 | C32 | H52 | H53 | 129.9° | 133.2° |
| C31 | C32 | C33 | H55 | 139.0° | 88.5° |
| C31 | C32 | C33 | H54 | 92.5° | 141.0° |
| N29 | C33 | C32 | H55 | 115.7° | 114.8° |
| N29 | C33 | C32 | H54 | 115.7° | 114.8° |
| C33 | N29 | C31 | H50 | 92.1° | 142.2° |
| C33 | N29 | C31 | H51 | 139.1° | 87.5° |
| N29 | C33 | C32 | H52 | 139.6° | 87.3° |
| N29 | C33 | C32 | H53 | 93.0° | 139.8° |
| N29 | C33 | H55 | H54 | 131.2° | 130.8° |
| C33 | C32 | C31 | H50 | 92.6° | 141.0° |
| C33 | C32 | C31 | H51 | 138.6° | 88.6° |
| C33 | C32 | H52 | H53 | 129.9° | 133.2° |
| C32 | C33 | H55 | H54 | 131.2° | 130.8° |
| N21 | C34 | H57 | H58 | 120.0° | 120.0° |
| N21 | C34 | H57 | H56 | 120.0° | 120.0° |
| N21 | C34 | H58 | H56 | 120.0° | 120.0° |
| H40 | C13 | C16 | H43 | 1.0° | 0.0° |
| H42 | C15 | C14 | H41 | 0.6° | 0.9° |
| H43 | C16 | C14 | H41 | 1.9° | 0.6° |
| H45 | C18 | C19 | H46 | 162.8° | 60.0° |
| H45 | C18 | C19 | H47 | 42.0° | 180.0° |
| H44 | C18 | C19 | H46 | 77.1° | 180.0° |
| H44 | C18 | C19 | H47 | 162.1° | 60.0° |
| H46 | C19 | N20 | H48 | 36.0° | 120.0° |
| H47 | C19 | N20 | H48 | 156.8° | 120.0° |
| H35 | C1 | C6 | H39 | 1.0° | 0.1° |
| H36 | C3 | C4 | H37 | 0.1° | 0.0° |
| H37 | C4 | C5 | H38 | 0.3° | 0.0° |
| H38 | C5 | C6 | H39 | 0.2° | 0.1° |
| H50 | C31 | C32 | H52 | 23.7° | 27.2° |
| H50 | C31 | C32 | H53 | 151.1° | 105.6° |
| H51 | C31 | C32 | H52 | 105.1° | 157.7° |
| H51 | C31 | C32 | H53 | 22.3° | 24.8° |
| H52 | C32 | C33 | H55 | 104.7° | 157.9° |
| H52 | C32 | C33 | H54 | 23.8° | 27.5° |
| H53 | C32 | C33 | H55 | 22.8° | 25.0° |
| H53 | C32 | C33 | H54 | 151.3° | 105.5° |
| H57 | C34 | H58 | H56 | 120.0° | 119.9° |
