JUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N16 | sing | 1.38Å | 1.45Å | |
| C1 | N5 | sing | 1.37Å | 1.46Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.45Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | N11 | sing | 1.38Å | 1.36Å | |
| N4 | C6 | sing | 1.34Å | 1.37Å | Aromatic |
| N5 | N9 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C6 | sing | 1.37Å | 1.45Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | N9 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.42Å | |
| C10 | C24 | doub | 1.41Å | 1.53Å | Aromatic |
| C10 | N26 | sing | 1.32Å | 1.32Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.51Å | |
| N11 | C15 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.55Å | 1.57Å | |
| C13 | C14 | sing | 1.55Å | 1.55Å | |
| C14 | F23 | sing | 1.40Å | 1.34Å | |
| C14 | C15 | sing | 1.54Å | 1.55Å | |
| N16 | C17 | sing | 1.47Å | 1.52Å | |
| N16 | C34 | sing | 1.46Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C22 | sing | 1.53Å | 1.57Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | O20 | sing | 1.43Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.40Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | N25 | sing | 1.31Å | 1.32Å | Aromatic |
| C24 | C33 | sing | 1.51Å | 1.56Å | |
| N25 | C28 | doub | 1.34Å | 1.39Å | Aromatic |
| N26 | C27 | doub | 1.34Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.42Å | 1.45Å | Aromatic |
| C27 | C32 | sing | 1.41Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.43Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.33Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.48Å | Aromatic |
| C31 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | H40 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H42 | sing | 1.09Å | 1.10Å | |
| C15 | H43 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.08Å | 1.08Å | |
| C7 | H36 | sing | 1.08Å | 1.08Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.08Å | 1.08Å | |
| C30 | H54 | sing | 1.08Å | 1.08Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C1 | N5 | 129.1° | 120.4° |
| N16 | C1 | C2 | 118.0° | 120.5° |
| C1 | N16 | C17 | 120.6° | 120.0° |
| C1 | N16 | C34 | 111.7° | 120.0° |
| N5 | C1 | C2 | 112.9° | 119.1° |
| C1 | N5 | N9 | 130.3° | 132.3° |
| C1 | N5 | C6 | 121.7° | 119.8° |
| C1 | C2 | C3 | 121.3° | 119.3° |
| C1 | C2 | H35 | 119.3° | 120.3° |
| C2 | C3 | N4 | 126.9° | 120.2° |
| C2 | C3 | N11 | 119.6° | 119.9° |
| C3 | C2 | H35 | 119.3° | 120.4° |
| N4 | C3 | N11 | 113.5° | 119.9° |
| C3 | N4 | C6 | 113.2° | 120.9° |
| C3 | N11 | C12 | 124.0° | 125.7° |
| C3 | N11 | C15 | 119.9° | 125.6° |
| N4 | C6 | N5 | 124.0° | 120.6° |
| N4 | C6 | C7 | 129.0° | 132.2° |
| N9 | N5 | C6 | 108.0° | 107.9° |
| N5 | N9 | C8 | 105.0° | 108.8° |
| N5 | C6 | C7 | 107.0° | 107.2° |
| C6 | C7 | C8 | 105.8° | 107.6° |
| C6 | C7 | H36 | 127.1° | 126.2° |
| C7 | C8 | N9 | 114.1° | 108.6° |
| C7 | C8 | C10 | 125.0° | 125.7° |
| C8 | C7 | H36 | 127.1° | 126.2° |
| N9 | C8 | C10 | 120.8° | 125.7° |
| C8 | C10 | C24 | 123.8° | 119.8° |
| C8 | C10 | N26 | 110.8° | 119.7° |
| C24 | C10 | N26 | 125.4° | 120.5° |
| C10 | C24 | N25 | 119.7° | 120.6° |
| C10 | C24 | C33 | 125.0° | 119.7° |
| C10 | N26 | C27 | 112.8° | 119.6° |
| C12 | N11 | C15 | 114.3° | 108.7° |
| N11 | C12 | C13 | 101.6° | 104.8° |
| N11 | C12 | H38 | 111.4° | 110.4° |
| N11 | C12 | H37 | 111.4° | 110.4° |
| N11 | C15 | C14 | 101.5° | 107.3° |
| N11 | C15 | H42 | 111.4° | 109.9° |
| N11 | C15 | H43 | 111.4° | 109.8° |
| C12 | C13 | C14 | 103.2° | 101.6° |
| C12 | C13 | H40 | 111.0° | 111.1° |
| C12 | C13 | H39 | 111.0° | 111.1° |
| C13 | C12 | H38 | 111.4° | 110.4° |
| C13 | C12 | H37 | 111.4° | 110.3° |
| C13 | C14 | F23 | 108.9° | 110.7° |
| C13 | C14 | C15 | 105.1° | 102.9° |
| C14 | C13 | H40 | 111.0° | 111.0° |
| C14 | C13 | H39 | 111.0° | 111.0° |
| C13 | C14 | H41 | 110.2° | 110.7° |
| F23 | C14 | C15 | 108.9° | 110.7° |
| F23 | C14 | H41 | 113.4° | 110.6° |
| C14 | C15 | H42 | 111.4° | 109.9° |
| C14 | C15 | H43 | 111.4° | 110.0° |
| C15 | C14 | H41 | 110.1° | 110.9° |
| C17 | N16 | C34 | 118.8° | 120.0° |
| N16 | C17 | C18 | 115.2° | 109.6° |
| N16 | C17 | C22 | 112.6° | 109.5° |
| N16 | C17 | H44 | 109.0° | 109.6° |
| N16 | C34 | H60 | 109.5° | 109.5° |
| N16 | C34 | H61 | 109.5° | 109.5° |
| N16 | C34 | H62 | 109.4° | 109.5° |
| C18 | C17 | C22 | 102.4° | 109.0° |
| C17 | C18 | C19 | 106.4° | 109.2° |
| C18 | C17 | H44 | 108.9° | 109.5° |
| C17 | C18 | H45 | 110.2° | 109.5° |
| C17 | C18 | H46 | 110.2° | 109.5° |
| C17 | C22 | C21 | 107.0° | 109.2° |
| C22 | C17 | H44 | 108.4° | 109.5° |
| C17 | C22 | H51 | 110.1° | 109.5° |
| C17 | C22 | H52 | 110.1° | 109.5° |
| C18 | C19 | O20 | 117.6° | 109.4° |
| C19 | C18 | H45 | 110.2° | 109.5° |
| C19 | C18 | H46 | 110.2° | 109.5° |
| C18 | C19 | H48 | 107.4° | 109.5° |
| C18 | C19 | H47 | 107.4° | 109.5° |
| C19 | O20 | C21 | 117.4° | 114.1° |
| O20 | C19 | H48 | 107.4° | 109.5° |
| O20 | C19 | H47 | 107.4° | 109.5° |
| O20 | C21 | C22 | 109.2° | 109.4° |
| O20 | C21 | H50 | 109.5° | 109.4° |
| O20 | C21 | H49 | 109.6° | 109.5° |
| C22 | C21 | H50 | 109.6° | 109.5° |
| C22 | C21 | H49 | 109.5° | 109.5° |
| C21 | C22 | H51 | 110.1° | 109.6° |
| C21 | C22 | H52 | 110.1° | 109.5° |
| N25 | C24 | C33 | 115.3° | 119.7° |
| C24 | N25 | C28 | 117.1° | 119.9° |
| C24 | C33 | H59 | 109.5° | 109.5° |
| C24 | C33 | H58 | 109.5° | 109.4° |
| C24 | C33 | H57 | 109.4° | 109.4° |
| N25 | C28 | C27 | 122.0° | 119.7° |
| N25 | C28 | C29 | 116.2° | 121.0° |
| N26 | C27 | C28 | 122.9° | 119.7° |
| N26 | C27 | C32 | 118.1° | 121.0° |
| C28 | C27 | C32 | 119.0° | 119.3° |
| C27 | C28 | C29 | 121.9° | 119.3° |
| C27 | C32 | C31 | 117.5° | 119.7° |
| C27 | C32 | H56 | 121.2° | 120.2° |
| C28 | C29 | C30 | 118.9° | 119.8° |
| C28 | C29 | H53 | 120.6° | 120.1° |
| C29 | C30 | C31 | 120.4° | 121.0° |
| C30 | C29 | H53 | 120.5° | 120.1° |
| C29 | C30 | H54 | 119.8° | 119.5° |
| C30 | C31 | C32 | 122.4° | 121.0° |
| C31 | C30 | H54 | 119.8° | 119.5° |
| C30 | C31 | H55 | 118.8° | 119.6° |
| C32 | C31 | H55 | 118.8° | 119.5° |
| C31 | C32 | H56 | 121.3° | 120.1° |
| H40 | C13 | H39 | 109.5° | 110.9° |
| H42 | C15 | H43 | 109.5° | 109.8° |
| H45 | C18 | H46 | 109.5° | 109.6° |
| H48 | C19 | H47 | 109.5° | 109.5° |
| H50 | C21 | H49 | 109.4° | 109.5° |
| H51 | C22 | H52 | 109.5° | 109.6° |
| H38 | C12 | H37 | 109.5° | 110.4° |
| H59 | C33 | H58 | 109.5° | 109.5° |
| H59 | C33 | H57 | 109.5° | 109.5° |
| H58 | C33 | H57 | 109.5° | 109.5° |
| H60 | C34 | H61 | 109.5° | 109.5° |
| H60 | C34 | H62 | 109.5° | 109.4° |
| H61 | C34 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C1 | N5 | C2 | 177.6° | 179.7° |
| N16 | C1 | C2 | C3 | 178.2° | 180.0° |
| N16 | C1 | N5 | N9 | 3.5° | 0.0° |
| N16 | C1 | N5 | C6 | 178.1° | 179.7° |
| C1 | N16 | C17 | C34 | 144.6° | 180.0° |
| C1 | N16 | C17 | C18 | 147.7° | 113.3° |
| C1 | N16 | C17 | C22 | 95.3° | 127.2° |
| C1 | N16 | C17 | H44 | 25.1° | 7.0° |
| N16 | C1 | C2 | H35 | 1.7° | 0.1° |
| C1 | N16 | C34 | H60 | 180.0° | 90.0° |
| C1 | N16 | C34 | H61 | 60.0° | 150.0° |
| C1 | N16 | C34 | H62 | 60.0° | 29.9° |
| N5 | C1 | C2 | C3 | 0.3° | 0.3° |
| C1 | N5 | C6 | N4 | 1.4° | 0.5° |
| C1 | N5 | N9 | C6 | 178.6° | 179.8° |
| C1 | N5 | C6 | C7 | 178.3° | 179.7° |
| C1 | N5 | N9 | C8 | 178.9° | 179.3° |
| N5 | C1 | N16 | C17 | 27.4° | 172.0° |
| N5 | C1 | N16 | C34 | 119.4° | 8.1° |
| N5 | C1 | C2 | H35 | 179.6° | 179.7° |
| C1 | C2 | C3 | H35 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 1.2° | 0.0° |
| C1 | C2 | C3 | N11 | 179.6° | 180.0° |
| C2 | C1 | N5 | N9 | 178.9° | 179.7° |
| C2 | C1 | N5 | C6 | 0.5° | 0.6° |
| C2 | C1 | N16 | C17 | 155.1° | 7.7° |
| C2 | C1 | N16 | C34 | 58.1° | 172.2° |
| C2 | C3 | N4 | N11 | 178.5° | 180.0° |
| C2 | C3 | N4 | C6 | 2.0° | 0.0° |
| C2 | C3 | N11 | C12 | 21.9° | 180.0° |
| C2 | C3 | N11 | C15 | 174.4° | 0.1° |
| C3 | N4 | C6 | N5 | 2.0° | 0.3° |
| C3 | N4 | C6 | C7 | 177.7° | 180.0° |
| N4 | C3 | N11 | C12 | 159.4° | 0.0° |
| N4 | C3 | N11 | C15 | 4.2° | 179.9° |
| N4 | C3 | C2 | H35 | 178.8° | 180.0° |
| N11 | C3 | N4 | C6 | 179.5° | 180.0° |
| C3 | N11 | C12 | C15 | 164.5° | 179.9° |
| C3 | N11 | C12 | C13 | 154.9° | 155.9° |
| C3 | N11 | C15 | C14 | 178.8° | 179.0° |
| C3 | N11 | C15 | H42 | 62.5° | 61.6° |
| C3 | N11 | C15 | H43 | 60.1° | 59.4° |
| N11 | C3 | C2 | H35 | 0.4° | 0.0° |
| C3 | N11 | C12 | H38 | 36.1° | 85.2° |
| C3 | N11 | C12 | H37 | 86.4° | 37.1° |
| N4 | C6 | N5 | N9 | 179.8° | 179.6° |
| N4 | C6 | N5 | C7 | 179.8° | 179.8° |
| N4 | C6 | C7 | C8 | 179.3° | 180.0° |
| N4 | C6 | C7 | H36 | 0.7° | 0.0° |
| N9 | N5 | C6 | C7 | 0.4° | 0.1° |
| N5 | N9 | C8 | C7 | 1.0° | 0.6° |
| N5 | N9 | C8 | C10 | 178.5° | 179.9° |
| N5 | C6 | C7 | C8 | 1.0° | 0.2° |
| C6 | N5 | N9 | C8 | 0.3° | 0.5° |
| N5 | C6 | C7 | H36 | 179.1° | 179.8° |
| C6 | C7 | C8 | H36 | 180.0° | 180.0° |
| C6 | C7 | C8 | N9 | 1.3° | 0.5° |
| C6 | C7 | C8 | C10 | 178.2° | 180.0° |
| C7 | C8 | N9 | C10 | 179.5° | 179.5° |
| C7 | C8 | C10 | C24 | 133.0° | 155.0° |
| C7 | C8 | C10 | N26 | 46.9° | 24.8° |
| N9 | C8 | C10 | C24 | 47.5° | 24.4° |
| N9 | C8 | C10 | N26 | 132.6° | 155.9° |
| N9 | C8 | C7 | H36 | 178.8° | 179.5° |
| C8 | C10 | C24 | N26 | 179.9° | 179.7° |
| C8 | C10 | C24 | N25 | 179.1° | 179.7° |
| C8 | C10 | C24 | C33 | 0.4° | 0.3° |
| C8 | C10 | N26 | C27 | 178.5° | 179.7° |
| C10 | C8 | C7 | H36 | 1.7° | 0.0° |
| C10 | C24 | N25 | C33 | 178.8° | 179.9° |
| C10 | C24 | N25 | C28 | 3.4° | 0.0° |
| C24 | C10 | N26 | C27 | 1.5° | 0.0° |
| C10 | C24 | C33 | H59 | 178.7° | 89.9° |
| C10 | C24 | C33 | H58 | 61.2° | 150.0° |
| C10 | C24 | C33 | H57 | 58.7° | 30.1° |
| N26 | C10 | C24 | N25 | 0.8° | 0.0° |
| N26 | C10 | C24 | C33 | 179.5° | 180.0° |
| C10 | N26 | C27 | C28 | 1.2° | 0.0° |
| C10 | N26 | C27 | C32 | 177.9° | 180.0° |
| N11 | C12 | C13 | H38 | 118.7° | 118.9° |
| N11 | C12 | C13 | H37 | 118.7° | 118.8° |
| N11 | C12 | C13 | C14 | 28.9° | 37.0° |
| C12 | N11 | C15 | C14 | 13.6° | 1.1° |
| N11 | C12 | C13 | H40 | 90.1° | 81.1° |
| N11 | C12 | C13 | H39 | 147.9° | 155.1° |
| C12 | N11 | C15 | H42 | 132.3° | 118.4° |
| C12 | N11 | C15 | H43 | 105.1° | 120.7° |
| N11 | C12 | H38 | H37 | 123.7° | 122.3° |
| C15 | N11 | C12 | C13 | 9.6° | 24.2° |
| N11 | C15 | C14 | C13 | 31.9° | 22.2° |
| N11 | C15 | C14 | F23 | 84.6° | 96.2° |
| N11 | C15 | C14 | H42 | 118.7° | 119.5° |
| N11 | C15 | C14 | H43 | 118.7° | 119.4° |
| N11 | C15 | H42 | H43 | 123.7° | 121.0° |
| C15 | N11 | C12 | H38 | 128.3° | 94.7° |
| C15 | N11 | C12 | H37 | 109.1° | 143.0° |
| N11 | C15 | C14 | H41 | 150.6° | 140.6° |
| C12 | C13 | C14 | H40 | 119.0° | 118.1° |
| C12 | C13 | C14 | H39 | 119.0° | 118.1° |
| C12 | C13 | C14 | F23 | 77.8° | 82.9° |
| C12 | C13 | C14 | C15 | 38.7° | 35.5° |
| C12 | C13 | H40 | H39 | 122.9° | 124.0° |
| C13 | C12 | H38 | H37 | 123.6° | 122.3° |
| C12 | C13 | C14 | H41 | 157.3° | 154.1° |
| C13 | C14 | F23 | C15 | 114.1° | 113.5° |
| C13 | C14 | F23 | H41 | 123.0° | 123.1° |
| C13 | C14 | C15 | H41 | 118.6° | 118.4° |
| C14 | C13 | H40 | H39 | 122.9° | 123.8° |
| C13 | C14 | C15 | H42 | 150.6° | 141.6° |
| C13 | C14 | C15 | H43 | 86.8° | 97.3° |
| C14 | C13 | C12 | H38 | 147.6° | 81.8° |
| C14 | C13 | C12 | H37 | 89.9° | 155.9° |
| F23 | C14 | C15 | H41 | 124.8° | 123.2° |
| F23 | C14 | C13 | H40 | 163.2° | 159.0° |
| F23 | C14 | C13 | H39 | 41.2° | 35.2° |
| F23 | C14 | C15 | H42 | 34.1° | 23.3° |
| F23 | C14 | C15 | H43 | 156.7° | 144.3° |
| C15 | C14 | C13 | H40 | 80.3° | 82.6° |
| C15 | C14 | C13 | H39 | 157.7° | 153.6° |
| C14 | C15 | H42 | H43 | 123.7° | 121.2° |
| N16 | C17 | C18 | C22 | 122.6° | 119.9° |
| N16 | C17 | C18 | H44 | 122.7° | 120.3° |
| N16 | C17 | C22 | H44 | 120.7° | 120.3° |
| N16 | C17 | C18 | C19 | 174.9° | 176.8° |
| N16 | C17 | C22 | C21 | 161.9° | 176.9° |
| N16 | C17 | C18 | H45 | 55.4° | 63.2° |
| N16 | C17 | C18 | H46 | 65.6° | 57.0° |
| N16 | C17 | C22 | H51 | 78.5° | 57.0° |
| N16 | C17 | C22 | H52 | 42.2° | 63.3° |
| C17 | N16 | C34 | H60 | 32.5° | 90.1° |
| C17 | N16 | C34 | H61 | 87.5° | 30.0° |
| C17 | N16 | C34 | H62 | 152.5° | 150.0° |
| C34 | N16 | C17 | C18 | 3.2° | 66.7° |
| C34 | N16 | C17 | C22 | 120.2° | 52.8° |
| C34 | N16 | C17 | H44 | 119.5° | 173.1° |
| N16 | C34 | H60 | H61 | 120.0° | 120.1° |
| N16 | C34 | H60 | H62 | 120.0° | 120.0° |
| N16 | C34 | H61 | H62 | 120.0° | 120.0° |
| C18 | C17 | C22 | H44 | 115.0° | 119.9° |
| C17 | C18 | C19 | H45 | 119.5° | 119.9° |
| C17 | C18 | C19 | H46 | 119.5° | 119.9° |
| C17 | C18 | C19 | O20 | 48.1° | 57.6° |
| C18 | C17 | C22 | C21 | 73.8° | 57.0° |
| C17 | C18 | H45 | H46 | 121.4° | 120.1° |
| C17 | C18 | C19 | H48 | 73.1° | 62.4° |
| C17 | C18 | C19 | H47 | 169.2° | 177.6° |
| C18 | C17 | C22 | H51 | 45.8° | 62.9° |
| C18 | C17 | C22 | H52 | 166.6° | 176.9° |
| C22 | C17 | C18 | C19 | 62.4° | 57.0° |
| C17 | C22 | C21 | O20 | 64.5° | 57.7° |
| C17 | C22 | C21 | H51 | 119.6° | 119.9° |
| C17 | C22 | C21 | H52 | 119.6° | 119.9° |
| C22 | C17 | C18 | H45 | 178.1° | 176.9° |
| C22 | C17 | C18 | H46 | 57.1° | 62.9° |
| C17 | C22 | C21 | H50 | 55.5° | 177.6° |
| C17 | C22 | C21 | H49 | 175.5° | 62.4° |
| C17 | C22 | H51 | H52 | 121.1° | 120.1° |
| C18 | C19 | O20 | H48 | 121.2° | 120.0° |
| C18 | C19 | O20 | H47 | 121.2° | 119.9° |
| C18 | C19 | O20 | C21 | 39.9° | 61.2° |
| C19 | C18 | C17 | H44 | 52.2° | 62.9° |
| C19 | C18 | H45 | H46 | 121.4° | 120.2° |
| C18 | C19 | H48 | H47 | 116.3° | 120.0° |
| C19 | O20 | C21 | C22 | 46.3° | 61.2° |
| O20 | C19 | C18 | H45 | 167.5° | 177.5° |
| O20 | C19 | C18 | H46 | 71.4° | 62.3° |
| O20 | C19 | H48 | H47 | 116.3° | 120.0° |
| C19 | O20 | C21 | H50 | 73.7° | 178.9° |
| C19 | O20 | C21 | H49 | 166.3° | 58.8° |
| O20 | C21 | C22 | H50 | 120.0° | 119.9° |
| O20 | C21 | C22 | H49 | 120.0° | 120.0° |
| C21 | O20 | C19 | H48 | 81.2° | 58.8° |
| C21 | O20 | C19 | H47 | 161.1° | 178.9° |
| O20 | C21 | H50 | H49 | 120.1° | 120.0° |
| O20 | C21 | C22 | H51 | 55.1° | 62.2° |
| O20 | C21 | C22 | H52 | 175.9° | 177.5° |
| C21 | C22 | C17 | H44 | 41.2° | 62.9° |
| C22 | C21 | H50 | H49 | 120.1° | 120.1° |
| C21 | C22 | H51 | H52 | 121.2° | 120.2° |
| C24 | N25 | C28 | C27 | 3.8° | 0.0° |
| C24 | N25 | C28 | C29 | 177.0° | 180.0° |
| N25 | C24 | C33 | H59 | 0.0° | 90.0° |
| N25 | C24 | C33 | H58 | 120.0° | 30.0° |
| N25 | C24 | C33 | H57 | 120.0° | 150.0° |
| C33 | C24 | N25 | C28 | 177.8° | 180.0° |
| C24 | C33 | H59 | H58 | 120.0° | 120.0° |
| C24 | C33 | H59 | H57 | 120.0° | 120.0° |
| C24 | C33 | H58 | H57 | 120.0° | 119.9° |
| N25 | C28 | C27 | N26 | 1.4° | 0.0° |
| N25 | C28 | C27 | C29 | 179.1° | 180.0° |
| N25 | C28 | C27 | C32 | 179.5° | 180.0° |
| N25 | C28 | C29 | C30 | 178.7° | 180.0° |
| N25 | C28 | C29 | H53 | 1.3° | 0.0° |
| N26 | C27 | C28 | C32 | 179.1° | 180.0° |
| N26 | C27 | C28 | C29 | 179.4° | 180.0° |
| N26 | C27 | C32 | C31 | 179.5° | 179.9° |
| N26 | C27 | C32 | H56 | 0.5° | 0.1° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C28 | C27 | C32 | C31 | 1.4° | 0.1° |
| C27 | C28 | C29 | H53 | 179.5° | 180.0° |
| C28 | C27 | C32 | H56 | 178.6° | 180.0° |
| C32 | C27 | C28 | C29 | 0.3° | 0.0° |
| C27 | C32 | C31 | C30 | 1.7° | 0.1° |
| C27 | C32 | C31 | H56 | 180.0° | 179.9° |
| C27 | C32 | C31 | H55 | 178.3° | 180.0° |
| C28 | C29 | C30 | H53 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C28 | C29 | C30 | H54 | 179.8° | 180.0° |
| C29 | C30 | C31 | H54 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.9° | 0.1° |
| C29 | C30 | C31 | H55 | 179.1° | 180.0° |
| C30 | C31 | C32 | H55 | 180.0° | 179.9° |
| C31 | C30 | C29 | H53 | 179.8° | 180.0° |
| C30 | C31 | C32 | H56 | 178.3° | 180.0° |
| C32 | C31 | C30 | H54 | 179.1° | 180.0° |
| H40 | C13 | C12 | H38 | 28.6° | 160.1° |
| H40 | C13 | C12 | H37 | 151.2° | 37.8° |
| H40 | C13 | C14 | H41 | 38.3° | 35.9° |
| H39 | C13 | C12 | H38 | 93.4° | 36.2° |
| H39 | C13 | C12 | H37 | 29.1° | 86.1° |
| H39 | C13 | C14 | H41 | 83.7° | 87.8° |
| H42 | C15 | C14 | H41 | 90.8° | 99.9° |
| H43 | C15 | C14 | H41 | 31.9° | 21.2° |
| H44 | C17 | C18 | H45 | 67.3° | 57.0° |
| H44 | C17 | C18 | H46 | 171.7° | 177.2° |
| H44 | C17 | C22 | H51 | 160.8° | 177.2° |
| H44 | C17 | C22 | H52 | 78.4° | 57.0° |
| H45 | C18 | C19 | H48 | 46.4° | 57.5° |
| H45 | C18 | C19 | H47 | 71.3° | 62.5° |
| H46 | C18 | C19 | H48 | 167.4° | 177.7° |
| H46 | C18 | C19 | H47 | 49.7° | 57.7° |
| H50 | C21 | C22 | H51 | 175.1° | 57.7° |
| H50 | C21 | C22 | H52 | 64.1° | 62.6° |
| H49 | C21 | C22 | H51 | 64.9° | 177.7° |
| H49 | C21 | C22 | H52 | 55.9° | 57.5° |
| H53 | C29 | C30 | H54 | 0.2° | 0.0° |
| H54 | C30 | C31 | H55 | 0.9° | 0.1° |
| H55 | C31 | C32 | H56 | 1.7° | 0.1° |
| H59 | C33 | H58 | H57 | 120.0° | 120.1° |
| H60 | C34 | H61 | H62 | 120.0° | 119.9° |
