XRI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | O14 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.54Å | |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | N9 | trip | 1.14Å | 1.14Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C13 | sing | 1.53Å | 1.55Å | |
| O14 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | N20 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.35Å | Aromatic |
| C18 | C21 | sing | 1.47Å | 1.48Å | |
| N19 | N20 | sing | 1.28Å | 1.33Å | Aromatic |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| C21 | N23 | sing | 1.35Å | 1.35Å | |
| N23 | C24 | sing | 1.48Å | 1.47Å | |
| N23 | C31 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C25 | C26 | sing | 1.54Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.57Å | |
| C26 | C30 | sing | 1.53Å | 1.56Å | |
| C26 | C31 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.55Å | 1.52Å | |
| C28 | O29 | sing | 1.45Å | 1.41Å | |
| O29 | C30 | sing | 1.45Å | 1.42Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å | |
| C13 | H45 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C15 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H50 | sing | 1.09Å | 1.10Å | |
| C24 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.9° | 120.1° |
| C1 | C2 | C7 | 121.0° | 120.0° |
| C2 | C1 | H34 | 109.5° | 109.5° |
| C2 | C1 | H33 | 109.5° | 109.5° |
| C2 | C1 | H32 | 109.5° | 109.4° |
| C3 | C2 | C7 | 120.1° | 119.9° |
| C2 | C3 | C4 | 119.9° | 120.1° |
| C2 | C3 | H35 | 120.0° | 119.9° |
| C2 | C7 | C6 | 118.3° | 119.8° |
| C2 | C7 | C8 | 121.6° | 120.1° |
| C3 | C4 | C5 | 121.6° | 120.2° |
| C3 | C4 | O14 | 122.1° | 119.9° |
| C4 | C3 | H35 | 120.0° | 120.0° |
| C5 | C4 | O14 | 116.1° | 119.9° |
| C4 | C5 | C6 | 116.9° | 120.1° |
| C4 | C5 | C10 | 122.8° | 119.9° |
| C4 | O14 | C15 | 117.4° | 117.0° |
| C6 | C5 | C10 | 120.2° | 120.0° |
| C5 | C6 | C7 | 123.0° | 119.9° |
| C5 | C6 | H36 | 118.5° | 120.0° |
| C5 | C10 | C11 | 114.0° | 109.4° |
| C5 | C10 | C12 | 108.2° | 109.5° |
| C5 | C10 | C13 | 110.5° | 109.5° |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C7 | C6 | H36 | 118.5° | 120.0° |
| C7 | C8 | N9 | 177.1° | 180.0° |
| C11 | C10 | C12 | 106.6° | 109.5° |
| C11 | C10 | C13 | 107.5° | 109.5° |
| C10 | C11 | H37 | 109.5° | 109.5° |
| C10 | C11 | H38 | 109.5° | 109.4° |
| C10 | C11 | H39 | 109.5° | 109.4° |
| C12 | C10 | C13 | 110.0° | 109.5° |
| C10 | C12 | H40 | 109.5° | 109.4° |
| C10 | C12 | H41 | 109.5° | 109.4° |
| C10 | C12 | H42 | 109.5° | 109.5° |
| C10 | C13 | H44 | 109.5° | 109.5° |
| C10 | C13 | H45 | 109.5° | 109.5° |
| C10 | C13 | H43 | 109.5° | 109.5° |
| O14 | C15 | C16 | 109.4° | 109.5° |
| O14 | C15 | H47 | 109.5° | 109.5° |
| O14 | C15 | H46 | 109.5° | 109.5° |
| C15 | C16 | C17 | 132.5° | 126.1° |
| C15 | C16 | N20 | 116.8° | 126.1° |
| C16 | C15 | H47 | 109.5° | 109.4° |
| C16 | C15 | H46 | 109.5° | 109.4° |
| C17 | C16 | N20 | 110.7° | 107.9° |
| C16 | C17 | C18 | 104.7° | 105.3° |
| C16 | C17 | H17 | 127.6° | 127.4° |
| C16 | N20 | N19 | 104.6° | 110.9° |
| C17 | C18 | N19 | 107.0° | 106.3° |
| C17 | C18 | C21 | 137.3° | 126.8° |
| C18 | C17 | H17 | 127.7° | 127.3° |
| N19 | C18 | C21 | 115.6° | 126.9° |
| C18 | N19 | N20 | 113.0° | 109.6° |
| C18 | N19 | H19 | 123.5° | 125.2° |
| C18 | C21 | O22 | 114.6° | 120.0° |
| C18 | C21 | N23 | 121.7° | 120.0° |
| N20 | N19 | H19 | 123.5° | 125.2° |
| O22 | C21 | N23 | 123.7° | 120.0° |
| C21 | N23 | C24 | 128.3° | 125.7° |
| C21 | N23 | C31 | 122.3° | 125.7° |
| C24 | N23 | C31 | 109.4° | 108.6° |
| N23 | C24 | C25 | 104.3° | 105.0° |
| N23 | C24 | H50 | 110.8° | 110.3° |
| N23 | C24 | H51 | 110.7° | 110.4° |
| N23 | C31 | C26 | 102.5° | 106.9° |
| N23 | C31 | H61 | 111.2° | 110.0° |
| N23 | C31 | H60 | 111.2° | 110.0° |
| C24 | C25 | C26 | 103.2° | 101.4° |
| C25 | C24 | H50 | 110.8° | 110.4° |
| C25 | C24 | H51 | 110.7° | 110.3° |
| C24 | C25 | H52 | 111.0° | 111.0° |
| C24 | C25 | H53 | 111.0° | 111.0° |
| C25 | C26 | C27 | 110.4° | 111.5° |
| C25 | C26 | C30 | 114.1° | 111.5° |
| C25 | C26 | C31 | 100.0° | 104.5° |
| C26 | C25 | H52 | 111.0° | 111.0° |
| C26 | C25 | H53 | 111.0° | 111.0° |
| C27 | C26 | C30 | 100.7° | 105.5° |
| C27 | C26 | C31 | 116.9° | 112.0° |
| C26 | C27 | C28 | 104.9° | 103.5° |
| C26 | C27 | H54 | 110.6° | 110.6° |
| C26 | C27 | H55 | 110.6° | 110.6° |
| C30 | C26 | C31 | 115.5° | 112.0° |
| C26 | C30 | O29 | 105.4° | 104.5° |
| C26 | C30 | H59 | 110.5° | 110.5° |
| C26 | C30 | H58 | 110.5° | 110.4° |
| C26 | C31 | H61 | 111.2° | 110.0° |
| C26 | C31 | H60 | 111.2° | 110.0° |
| C27 | C28 | O29 | 107.4° | 104.9° |
| C28 | C27 | H54 | 110.6° | 110.6° |
| C28 | C27 | H55 | 110.6° | 110.6° |
| C27 | C28 | H56 | 110.0° | 110.4° |
| C27 | C28 | H57 | 110.0° | 110.4° |
| C28 | O29 | C30 | 106.8° | 105.5° |
| O29 | C28 | H56 | 110.0° | 110.4° |
| O29 | C28 | H57 | 110.0° | 110.4° |
| O29 | C30 | H59 | 110.5° | 110.5° |
| O29 | C30 | H58 | 110.4° | 110.4° |
| H37 | C11 | H38 | 109.4° | 109.5° |
| H37 | C11 | H39 | 109.5° | 109.4° |
| H38 | C11 | H39 | 109.5° | 109.5° |
| H44 | C13 | H45 | 109.4° | 109.5° |
| H44 | C13 | H43 | 109.5° | 109.4° |
| H45 | C13 | H43 | 109.5° | 109.4° |
| H47 | C15 | H46 | 109.5° | 109.5° |
| H50 | C24 | H51 | 109.5° | 110.3° |
| H52 | C25 | H53 | 109.5° | 111.0° |
| H54 | C27 | H55 | 109.5° | 110.7° |
| H56 | C28 | H57 | 109.5° | 110.4° |
| H34 | C1 | H33 | 109.4° | 109.5° |
| H34 | C1 | H32 | 109.5° | 109.5° |
| H33 | C1 | H32 | 109.5° | 109.5° |
| H40 | C12 | H41 | 109.5° | 109.5° |
| H40 | C12 | H42 | 109.5° | 109.5° |
| H41 | C12 | H42 | 109.4° | 109.5° |
| H59 | C30 | H58 | 109.5° | 110.5° |
| H61 | C31 | H60 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 178.6° | 179.8° |
| C1 | C2 | C3 | C4 | 178.0° | 180.0° |
| C1 | C2 | C7 | C6 | 179.5° | 179.7° |
| C1 | C2 | C7 | C8 | 1.7° | 0.0° |
| C2 | C1 | H34 | H33 | 120.0° | 120.0° |
| C2 | C1 | H34 | H32 | 120.0° | 120.0° |
| C2 | C1 | H33 | H32 | 120.0° | 120.0° |
| C1 | C2 | C3 | H35 | 2.0° | 0.0° |
| C2 | C3 | C4 | H35 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.3° | 0.0° |
| C2 | C3 | C4 | O14 | 177.8° | 180.0° |
| C3 | C2 | C7 | C6 | 2.0° | 0.5° |
| C3 | C2 | C7 | C8 | 179.8° | 179.7° |
| C3 | C2 | C1 | H34 | 90.7° | 90.0° |
| C3 | C2 | C1 | H33 | 149.3° | 150.0° |
| C3 | C2 | C1 | H32 | 29.3° | 30.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.2° |
| C2 | C7 | C6 | C5 | 1.9° | 0.5° |
| C2 | C7 | C6 | C8 | 177.8° | 179.7° |
| C2 | C7 | C8 | N9 | 10.4° | 138.0° |
| C7 | C2 | C1 | H34 | 90.8° | 90.2° |
| C7 | C2 | C1 | H33 | 29.2° | 29.7° |
| C7 | C2 | C1 | H32 | 149.2° | 149.7° |
| C7 | C2 | C3 | H35 | 179.4° | 179.8° |
| C2 | C7 | C6 | H36 | 178.1° | 179.7° |
| C3 | C4 | C5 | O14 | 174.8° | 179.9° |
| C3 | C4 | C5 | C6 | 3.4° | 0.0° |
| C3 | C4 | C5 | C10 | 175.0° | 180.0° |
| C3 | C4 | O14 | C15 | 6.4° | 0.0° |
| C4 | C5 | C6 | C10 | 178.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.3° |
| C4 | C5 | C10 | C11 | 172.1° | 180.0° |
| C4 | C5 | C10 | C12 | 69.6° | 60.0° |
| C4 | C5 | C10 | C13 | 50.8° | 60.0° |
| C5 | C4 | O14 | C15 | 178.8° | 180.0° |
| C5 | C4 | C3 | H35 | 176.7° | 180.0° |
| C4 | C5 | C6 | H36 | 179.3° | 180.0° |
| O14 | C4 | C5 | C6 | 178.2° | 179.9° |
| O14 | C4 | C5 | C10 | 0.2° | 0.1° |
| C4 | O14 | C15 | C16 | 163.4° | 180.0° |
| C4 | O14 | C15 | H47 | 76.6° | 60.0° |
| C4 | O14 | C15 | H46 | 43.4° | 60.0° |
| O14 | C4 | C3 | H35 | 2.2° | 0.0° |
| C5 | C6 | C7 | H36 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 179.8° | 179.7° |
| C6 | C5 | C10 | C11 | 9.6° | 0.0° |
| C6 | C5 | C10 | C12 | 108.8° | 120.0° |
| C6 | C5 | C10 | C13 | 130.8° | 120.0° |
| C10 | C5 | C6 | C7 | 177.7° | 179.7° |
| C5 | C10 | C11 | C12 | 119.3° | 120.0° |
| C5 | C10 | C11 | C13 | 122.8° | 120.0° |
| C5 | C10 | C12 | C13 | 120.7° | 120.0° |
| C5 | C10 | C11 | H37 | 180.0° | 60.0° |
| C5 | C10 | C11 | H38 | 60.0° | 60.0° |
| C5 | C10 | C11 | H39 | 60.0° | 180.0° |
| C5 | C10 | C13 | H44 | 180.0° | 60.0° |
| C5 | C10 | C13 | H45 | 60.0° | 60.0° |
| C5 | C10 | C13 | H43 | 60.0° | 180.0° |
| C10 | C5 | C6 | H36 | 2.3° | 0.0° |
| C5 | C10 | C12 | H40 | 180.0° | 180.0° |
| C5 | C10 | C12 | H41 | 60.0° | 60.0° |
| C5 | C10 | C12 | H42 | 60.0° | 60.0° |
| C6 | C7 | C8 | N9 | 167.4° | 41.8° |
| C8 | C7 | C6 | H36 | 0.3° | 0.0° |
| C11 | C10 | C12 | C13 | 116.3° | 120.0° |
| C10 | C11 | H37 | H38 | 120.0° | 120.0° |
| C10 | C11 | H37 | H39 | 120.0° | 119.9° |
| C10 | C11 | H38 | H39 | 120.0° | 120.0° |
| C11 | C10 | C13 | H44 | 55.0° | 60.0° |
| C11 | C10 | C13 | H45 | 175.0° | 180.0° |
| C11 | C10 | C13 | H43 | 65.0° | 60.0° |
| C11 | C10 | C12 | H40 | 57.0° | 60.0° |
| C11 | C10 | C12 | H41 | 63.0° | 180.0° |
| C11 | C10 | C12 | H42 | 177.0° | 60.0° |
| C12 | C10 | C11 | H37 | 60.7° | 59.9° |
| C12 | C10 | C11 | H38 | 179.3° | 180.0° |
| C12 | C10 | C11 | H39 | 59.3° | 60.0° |
| C12 | C10 | C13 | H44 | 60.7° | 180.0° |
| C12 | C10 | C13 | H45 | 59.3° | 60.0° |
| C12 | C10 | C13 | H43 | 179.3° | 60.0° |
| C10 | C12 | H40 | H41 | 120.0° | 119.9° |
| C10 | C12 | H40 | H42 | 120.0° | 120.0° |
| C10 | C12 | H41 | H42 | 120.0° | 120.0° |
| C13 | C10 | C11 | H37 | 57.2° | 180.0° |
| C13 | C10 | C11 | H38 | 62.8° | 60.0° |
| C13 | C10 | C11 | H39 | 177.2° | 60.0° |
| C10 | C13 | H44 | H45 | 120.0° | 120.1° |
| C10 | C13 | H44 | H43 | 120.0° | 120.0° |
| C10 | C13 | H45 | H43 | 120.0° | 120.0° |
| C13 | C10 | C12 | H40 | 59.3° | 60.0° |
| C13 | C10 | C12 | H41 | 179.3° | 60.0° |
| C13 | C10 | C12 | H42 | 60.7° | 180.0° |
| O14 | C15 | C16 | H47 | 120.0° | 120.0° |
| O14 | C15 | C16 | H46 | 120.0° | 120.0° |
| O14 | C15 | C16 | C17 | 61.5° | 0.0° |
| O14 | C15 | C16 | N20 | 118.5° | 179.7° |
| O14 | C15 | H47 | H46 | 120.1° | 120.0° |
| C15 | C16 | C17 | N20 | 179.9° | 179.7° |
| C15 | C16 | C17 | C18 | 179.4° | 179.9° |
| C15 | C16 | N20 | N19 | 179.9° | 179.8° |
| C16 | C15 | H47 | H46 | 120.0° | 120.0° |
| C15 | C16 | C17 | H17 | 0.5° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 1.0° | 0.1° |
| C16 | C17 | C18 | C21 | 177.8° | 180.0° |
| C17 | C16 | N20 | N19 | 0.2° | 0.4° |
| C17 | C16 | C15 | H47 | 178.6° | 120.0° |
| C17 | C16 | C15 | H46 | 58.5° | 120.0° |
| N20 | C16 | C17 | C18 | 0.5° | 0.2° |
| C16 | N20 | N19 | C18 | 0.8° | 0.5° |
| N20 | C16 | C15 | H47 | 1.5° | 59.7° |
| N20 | C16 | C15 | H46 | 121.6° | 60.3° |
| N20 | C16 | C17 | H17 | 179.5° | 179.8° |
| C16 | N20 | N19 | H19 | 179.2° | 179.9° |
| C17 | C18 | N19 | C21 | 177.7° | 179.9° |
| C17 | C18 | N19 | N20 | 1.2° | 0.3° |
| C17 | C18 | C21 | O22 | 178.0° | 5.1° |
| C17 | C18 | C21 | N23 | 0.3° | 174.8° |
| C17 | C18 | N19 | H19 | 178.9° | 180.0° |
| C18 | N19 | N20 | H19 | 180.0° | 179.7° |
| N19 | C18 | C21 | O22 | 1.3° | 174.8° |
| N19 | C18 | C21 | N23 | 176.4° | 5.4° |
| N19 | C18 | C17 | H17 | 179.1° | 179.9° |
| C21 | C18 | N19 | N20 | 178.8° | 179.8° |
| C18 | C21 | O22 | N23 | 177.7° | 179.9° |
| C18 | C21 | N23 | C24 | 1.0° | 174.8° |
| C18 | C21 | N23 | C31 | 178.1° | 5.3° |
| C21 | C18 | C17 | H17 | 2.2° | 0.0° |
| C21 | C18 | N19 | H19 | 1.2° | 0.1° |
| O22 | C21 | N23 | C24 | 178.6° | 5.1° |
| O22 | C21 | N23 | C31 | 0.6° | 174.8° |
| C21 | N23 | C24 | C31 | 179.2° | 179.9° |
| C21 | N23 | C24 | C25 | 179.5° | 156.0° |
| C21 | N23 | C31 | C26 | 152.5° | 177.9° |
| C21 | N23 | C24 | H50 | 60.3° | 85.1° |
| C21 | N23 | C24 | H51 | 61.3° | 37.2° |
| C21 | N23 | C31 | H61 | 88.6° | 58.5° |
| C21 | N23 | C31 | H60 | 33.7° | 62.7° |
| N23 | C24 | C25 | H50 | 119.2° | 118.9° |
| N23 | C24 | C25 | H51 | 119.2° | 118.9° |
| N23 | C24 | C25 | C26 | 27.6° | 35.6° |
| C24 | N23 | C31 | C26 | 26.7° | 2.0° |
| N23 | C24 | H50 | H51 | 122.4° | 122.3° |
| N23 | C24 | C25 | H52 | 146.6° | 82.4° |
| N23 | C24 | C25 | H53 | 91.4° | 153.7° |
| C24 | N23 | C31 | H61 | 92.1° | 121.4° |
| C24 | N23 | C31 | H60 | 145.6° | 117.4° |
| C31 | N23 | C24 | C25 | 0.3° | 23.9° |
| N23 | C31 | C26 | C25 | 42.6° | 20.8° |
| N23 | C31 | C26 | C27 | 76.4° | 141.7° |
| N23 | C31 | C26 | C30 | 165.4° | 100.1° |
| N23 | C31 | C26 | H61 | 118.9° | 119.4° |
| N23 | C31 | C26 | H60 | 118.8° | 119.4° |
| C31 | N23 | C24 | H50 | 118.9° | 95.0° |
| C31 | N23 | C24 | H51 | 119.4° | 142.8° |
| N23 | C31 | H61 | H60 | 123.2° | 121.2° |
| C24 | C25 | C26 | H52 | 119.0° | 118.0° |
| C24 | C25 | C26 | H53 | 119.0° | 118.0° |
| C24 | C25 | C26 | C27 | 80.7° | 155.2° |
| C24 | C25 | C26 | C30 | 166.9° | 87.1° |
| C24 | C25 | C26 | C31 | 43.1° | 34.0° |
| C25 | C24 | H50 | H51 | 122.4° | 122.2° |
| C24 | C25 | H52 | H53 | 122.9° | 124.0° |
| C25 | C26 | C27 | C30 | 120.8° | 121.2° |
| C25 | C26 | C27 | C31 | 113.3° | 116.8° |
| C25 | C26 | C30 | C31 | 115.0° | 116.7° |
| C25 | C26 | C27 | C28 | 131.5° | 120.8° |
| C25 | C26 | C30 | O29 | 148.4° | 144.2° |
| C26 | C25 | C24 | H50 | 91.6° | 83.3° |
| C26 | C25 | C24 | H51 | 146.8° | 154.6° |
| C26 | C25 | H52 | H53 | 122.9° | 124.0° |
| C25 | C26 | C27 | H54 | 109.3° | 120.7° |
| C25 | C26 | C27 | H55 | 12.2° | 2.3° |
| C25 | C26 | C30 | H59 | 29.0° | 25.5° |
| C25 | C26 | C30 | H58 | 92.3° | 97.0° |
| C25 | C26 | C31 | H61 | 76.3° | 98.6° |
| C25 | C26 | C31 | H60 | 161.4° | 140.2° |
| C27 | C26 | C30 | C31 | 126.8° | 122.1° |
| C26 | C27 | C28 | H54 | 119.3° | 118.5° |
| C26 | C27 | C28 | H55 | 119.3° | 118.5° |
| C26 | C27 | C28 | O29 | 12.4° | 23.8° |
| C27 | C26 | C30 | O29 | 30.2° | 23.0° |
| C27 | C26 | C25 | H52 | 38.4° | 37.2° |
| C27 | C26 | C25 | H53 | 160.4° | 86.7° |
| C26 | C27 | H54 | H55 | 122.1° | 122.9° |
| C26 | C27 | C28 | H56 | 132.0° | 142.6° |
| C26 | C27 | C28 | H57 | 107.3° | 95.1° |
| C27 | C26 | C30 | H59 | 89.2° | 95.8° |
| C27 | C26 | C30 | H58 | 149.5° | 141.7° |
| C27 | C26 | C31 | H61 | 164.7° | 22.3° |
| C27 | C26 | C31 | H60 | 42.4° | 98.9° |
| C30 | C26 | C27 | C28 | 10.6° | 0.4° |
| C26 | C30 | O29 | C28 | 40.3° | 39.2° |
| C26 | C30 | O29 | H59 | 119.4° | 118.8° |
| C26 | C30 | O29 | H58 | 119.4° | 118.7° |
| C30 | C26 | C25 | H52 | 74.1° | 154.9° |
| C30 | C26 | C25 | H53 | 47.9° | 30.9° |
| C30 | C26 | C27 | H54 | 129.9° | 118.1° |
| C30 | C26 | C27 | H55 | 108.7° | 118.9° |
| C26 | C30 | H59 | H58 | 121.9° | 122.5° |
| C30 | C26 | C31 | H61 | 46.6° | 140.6° |
| C30 | C26 | C31 | H60 | 75.7° | 19.3° |
| C31 | C26 | C27 | C28 | 115.3° | 122.5° |
| C31 | C26 | C30 | O29 | 96.6° | 99.0° |
| C31 | C26 | C25 | H52 | 162.1° | 84.0° |
| C31 | C26 | C25 | H53 | 75.9° | 152.0° |
| C31 | C26 | C27 | H54 | 4.0° | 3.9° |
| C31 | C26 | C27 | H55 | 125.4° | 119.0° |
| C31 | C26 | C30 | H59 | 144.0° | 142.2° |
| C31 | C26 | C30 | H58 | 22.7° | 19.7° |
| C26 | C31 | H61 | H60 | 123.3° | 121.3° |
| C27 | C28 | O29 | H56 | 119.7° | 118.9° |
| C27 | C28 | O29 | H57 | 119.7° | 118.9° |
| C27 | C28 | O29 | C30 | 33.1° | 39.7° |
| C28 | C27 | H54 | H55 | 122.2° | 123.0° |
| C27 | C28 | H56 | H57 | 120.9° | 122.3° |
| O29 | C28 | C27 | H54 | 106.9° | 94.7° |
| O29 | C28 | C27 | H55 | 131.6° | 142.3° |
| O29 | C28 | H56 | H57 | 120.9° | 122.3° |
| C28 | O29 | C30 | H59 | 79.0° | 79.6° |
| C28 | O29 | C30 | H58 | 159.7° | 157.9° |
| C30 | O29 | C28 | H56 | 152.7° | 158.5° |
| C30 | O29 | C28 | H57 | 86.6° | 79.2° |
| O29 | C30 | H59 | H58 | 121.9° | 122.4° |
| H37 | C11 | H38 | H39 | 120.0° | 120.0° |
| H44 | C13 | H45 | H43 | 120.0° | 119.9° |
| H50 | C24 | C25 | H52 | 27.4° | 158.8° |
| H50 | C24 | C25 | H53 | 149.4° | 34.8° |
| H51 | C24 | C25 | H52 | 94.2° | 36.6° |
| H51 | C24 | C25 | H53 | 27.8° | 87.4° |
| H54 | C27 | C28 | H56 | 12.8° | 24.1° |
| H54 | C27 | C28 | H57 | 133.4° | 146.4° |
| H55 | C27 | C28 | H56 | 108.7° | 98.9° |
| H55 | C27 | C28 | H57 | 11.9° | 23.4° |
| H34 | C1 | H33 | H32 | 120.0° | 120.1° |
| H40 | C12 | H41 | H42 | 120.0° | 120.1° |
