JU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N16 | sing | 1.38Å | 1.41Å | |
| C1 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| C3 | N11 | sing | 1.39Å | 1.36Å | |
| N4 | C6 | sing | 1.34Å | 1.36Å | Aromatic |
| N5 | N9 | sing | 1.40Å | 1.38Å | Aromatic |
| N5 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | C24 | doub | 1.41Å | 1.46Å | Aromatic |
| C10 | N26 | sing | 1.32Å | 1.33Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| N11 | C15 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.50Å | |
| C14 | F23 | sing | 1.40Å | 1.41Å | |
| C14 | C15 | sing | 1.54Å | 1.51Å | |
| N16 | C17 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C22 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | O20 | sing | 1.43Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C24 | N25 | sing | 1.31Å | 1.32Å | Aromatic |
| C24 | C33 | sing | 1.51Å | 1.50Å | |
| N25 | C28 | doub | 1.34Å | 1.37Å | Aromatic |
| N26 | C27 | doub | 1.34Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.42Å | 1.41Å | Aromatic |
| C27 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H42 | sing | 1.09Å | 1.10Å | |
| C15 | H41 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | 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 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.09Å | 1.10Å | |
| N16 | H43 | sing | 0.97Å | 1.00Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C1 | N5 | 126.5° | 120.4° |
| N16 | C1 | C2 | 118.5° | 120.5° |
| C1 | N16 | C17 | 127.8° | 120.0° |
| C1 | N16 | H43 | 104.7° | 120.0° |
| N5 | C1 | C2 | 114.9° | 119.1° |
| C1 | N5 | N9 | 125.5° | 132.2° |
| C1 | N5 | C6 | 122.6° | 119.9° |
| C1 | C2 | C3 | 121.1° | 119.4° |
| C1 | C2 | H34 | 119.5° | 120.4° |
| C2 | C3 | N4 | 123.2° | 120.2° |
| C2 | C3 | N11 | 121.8° | 119.9° |
| C3 | C2 | H34 | 119.4° | 120.3° |
| N4 | C3 | N11 | 115.1° | 119.9° |
| C3 | N4 | C6 | 116.6° | 120.9° |
| C3 | N11 | C12 | 121.3° | 125.6° |
| C3 | N11 | C15 | 125.7° | 125.7° |
| N4 | C6 | N5 | 121.6° | 120.6° |
| N4 | C6 | C7 | 132.7° | 132.2° |
| N9 | N5 | C6 | 112.0° | 107.9° |
| N5 | N9 | C8 | 104.0° | 108.8° |
| N5 | C6 | C7 | 105.7° | 107.2° |
| C6 | C7 | C8 | 106.0° | 107.6° |
| C6 | C7 | H35 | 127.0° | 126.2° |
| C7 | C8 | N9 | 112.4° | 108.6° |
| C7 | C8 | C10 | 125.9° | 125.7° |
| C8 | C7 | H35 | 127.0° | 126.2° |
| N9 | C8 | C10 | 121.6° | 125.7° |
| C8 | C10 | C24 | 127.5° | 119.8° |
| C8 | C10 | N26 | 109.6° | 119.7° |
| C24 | C10 | N26 | 122.5° | 120.5° |
| C10 | C24 | N25 | 119.9° | 120.6° |
| C10 | C24 | C33 | 123.9° | 119.7° |
| C10 | N26 | C27 | 116.7° | 119.6° |
| C12 | N11 | C15 | 113.0° | 108.7° |
| N11 | C12 | C13 | 103.7° | 104.8° |
| N11 | C12 | H36 | 110.9° | 110.4° |
| N11 | C12 | H37 | 110.9° | 110.4° |
| N11 | C15 | C14 | 104.2° | 107.3° |
| N11 | C15 | H42 | 110.8° | 109.9° |
| N11 | C15 | H41 | 110.8° | 109.8° |
| C12 | C13 | C14 | 107.0° | 101.6° |
| C12 | C13 | H38 | 110.1° | 111.0° |
| C12 | C13 | H39 | 110.1° | 111.0° |
| C13 | C12 | H36 | 110.9° | 110.3° |
| C13 | C12 | H37 | 110.9° | 110.3° |
| C13 | C14 | F23 | 108.7° | 110.8° |
| C13 | C14 | C15 | 106.2° | 102.9° |
| C14 | C13 | H38 | 110.1° | 111.0° |
| C14 | C13 | H39 | 110.1° | 111.0° |
| C13 | C14 | H40 | 110.3° | 110.7° |
| F23 | C14 | C15 | 109.8° | 110.7° |
| F23 | C14 | H40 | 111.5° | 110.7° |
| C14 | C15 | H42 | 110.7° | 109.9° |
| C14 | C15 | H41 | 110.7° | 110.0° |
| C15 | C14 | H40 | 110.1° | 110.8° |
| N16 | C17 | C18 | 115.0° | 109.5° |
| N16 | C17 | C22 | 103.9° | 109.6° |
| N16 | C17 | H44 | 109.8° | 109.6° |
| C17 | N16 | H43 | 104.7° | 120.0° |
| C18 | C17 | C22 | 110.3° | 109.0° |
| C17 | C18 | C19 | 106.5° | 109.1° |
| C18 | C17 | H44 | 108.9° | 109.6° |
| C17 | C18 | H46 | 110.2° | 109.5° |
| C17 | C18 | H45 | 110.2° | 109.5° |
| C17 | C22 | C21 | 114.9° | 109.2° |
| C22 | C17 | H44 | 108.6° | 109.5° |
| C17 | C22 | H51 | 108.1° | 109.5° |
| C17 | C22 | H52 | 108.1° | 109.5° |
| C18 | C19 | O20 | 111.5° | 109.5° |
| C19 | C18 | H46 | 110.2° | 109.5° |
| C19 | C18 | H45 | 110.2° | 109.6° |
| C18 | C19 | H48 | 108.9° | 109.5° |
| C18 | C19 | H47 | 109.0° | 109.5° |
| C19 | O20 | C21 | 111.2° | 114.1° |
| O20 | C19 | H48 | 109.0° | 109.5° |
| O20 | C19 | H47 | 109.0° | 109.5° |
| O20 | C21 | C22 | 111.2° | 109.4° |
| O20 | C21 | H50 | 109.1° | 109.5° |
| O20 | C21 | H49 | 109.0° | 109.4° |
| C22 | C21 | H50 | 109.0° | 109.5° |
| C22 | C21 | H49 | 109.0° | 109.5° |
| C21 | C22 | H51 | 108.1° | 109.5° |
| C21 | C22 | H52 | 108.1° | 109.5° |
| N25 | C24 | C33 | 116.2° | 119.7° |
| C24 | N25 | C28 | 118.3° | 119.8° |
| C24 | C33 | H59 | 109.5° | 109.5° |
| C24 | C33 | H58 | 109.5° | 109.4° |
| C24 | C33 | H57 | 109.4° | 109.5° |
| N25 | C28 | C27 | 121.2° | 119.7° |
| N25 | C28 | C29 | 119.6° | 120.9° |
| N26 | C27 | C28 | 121.2° | 119.7° |
| N26 | C27 | C32 | 119.7° | 121.0° |
| C28 | C27 | C32 | 119.1° | 119.3° |
| C27 | C28 | C29 | 119.2° | 119.4° |
| C27 | C32 | C31 | 120.1° | 119.7° |
| C27 | C32 | H56 | 120.0° | 120.1° |
| C28 | C29 | C30 | 120.1° | 119.7° |
| C28 | C29 | H53 | 120.0° | 120.2° |
| C29 | C30 | C31 | 120.7° | 121.0° |
| C30 | C29 | H53 | 120.0° | 120.1° |
| C29 | C30 | H54 | 119.7° | 119.6° |
| C30 | C31 | C32 | 120.8° | 121.0° |
| C31 | C30 | H54 | 119.6° | 119.5° |
| C30 | C31 | H55 | 119.6° | 119.6° |
| C32 | C31 | H55 | 119.6° | 119.5° |
| C31 | C32 | H56 | 119.9° | 120.2° |
| H38 | C13 | H39 | 109.5° | 110.9° |
| H42 | C15 | H41 | 109.5° | 109.9° |
| H46 | C18 | H45 | 109.5° | 109.6° |
| H48 | C19 | H47 | 109.5° | 109.4° |
| H50 | C21 | H49 | 109.5° | 109.6° |
| H51 | C22 | H52 | 109.4° | 109.6° |
| H36 | C12 | H37 | 109.5° | 110.4° |
| H59 | C33 | H58 | 109.5° | 109.4° |
| H59 | C33 | H57 | 109.5° | 109.5° |
| H58 | C33 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C1 | N5 | C2 | 176.8° | 179.8° |
| N16 | C1 | C2 | C3 | 176.2° | 179.9° |
| N16 | C1 | N5 | N9 | 4.0° | 0.1° |
| N16 | C1 | N5 | C6 | 175.7° | 179.7° |
| C1 | N16 | C17 | H43 | 122.4° | 180.0° |
| C1 | N16 | C17 | C18 | 142.8° | 155.0° |
| C1 | N16 | C17 | C22 | 96.5° | 85.4° |
| C1 | N16 | C17 | H44 | 19.5° | 34.8° |
| N16 | C1 | C2 | H34 | 3.8° | 0.0° |
| N5 | C1 | C2 | C3 | 0.9° | 0.2° |
| C1 | N5 | C6 | N4 | 1.1° | 0.5° |
| C1 | N5 | N9 | C6 | 179.8° | 179.8° |
| C1 | N5 | C6 | C7 | 179.1° | 179.7° |
| C1 | N5 | N9 | C8 | 178.2° | 179.4° |
| N5 | C1 | N16 | C17 | 16.2° | 180.0° |
| N5 | C1 | C2 | H34 | 179.1° | 179.8° |
| N5 | C1 | N16 | H43 | 106.2° | 0.0° |
| C1 | C2 | C3 | H34 | 180.0° | 180.0° |
| C1 | C2 | C3 | N4 | 0.8° | 0.0° |
| C1 | C2 | C3 | N11 | 179.9° | 180.0° |
| C2 | C1 | N5 | N9 | 179.2° | 179.7° |
| C2 | C1 | N5 | C6 | 1.1° | 0.5° |
| C2 | C1 | N16 | C17 | 167.1° | 0.2° |
| C2 | C1 | N16 | H43 | 70.5° | 179.8° |
| C2 | C3 | N4 | N11 | 179.3° | 180.0° |
| C2 | C3 | N4 | C6 | 0.8° | 0.0° |
| C2 | C3 | N11 | C12 | 179.5° | 180.0° |
| C2 | C3 | N11 | C15 | 0.5° | 0.1° |
| C3 | N4 | C6 | N5 | 0.9° | 0.2° |
| C3 | N4 | C6 | C7 | 179.4° | 180.0° |
| N4 | C3 | N11 | C12 | 0.1° | 0.1° |
| N4 | C3 | N11 | C15 | 179.9° | 179.9° |
| N4 | C3 | C2 | H34 | 179.2° | 180.0° |
| N11 | C3 | N4 | C6 | 179.9° | 180.0° |
| C3 | N11 | C12 | C15 | 180.0° | 179.9° |
| C3 | N11 | C12 | C13 | 177.5° | 156.0° |
| C3 | N11 | C15 | C14 | 167.7° | 179.0° |
| C3 | N11 | C15 | H42 | 48.6° | 61.5° |
| C3 | N11 | C15 | H41 | 73.1° | 59.5° |
| N11 | C3 | C2 | H34 | 0.1° | 0.1° |
| C3 | N11 | C12 | H36 | 58.4° | 85.2° |
| C3 | N11 | C12 | H37 | 63.4° | 37.2° |
| N4 | C6 | N5 | N9 | 179.1° | 179.7° |
| N4 | C6 | N5 | C7 | 179.8° | 179.8° |
| N4 | C6 | C7 | C8 | 179.8° | 180.0° |
| N4 | C6 | C7 | H35 | 0.2° | 0.0° |
| N9 | N5 | C6 | C7 | 0.7° | 0.1° |
| N5 | N9 | C8 | C7 | 1.8° | 0.6° |
| N5 | N9 | C8 | C10 | 178.7° | 179.9° |
| N5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C6 | N5 | N9 | C8 | 1.5° | 0.4° |
| N5 | C6 | C7 | H35 | 179.6° | 179.8° |
| C6 | C7 | C8 | H35 | 180.0° | 180.0° |
| C6 | C7 | C8 | N9 | 1.5° | 0.5° |
| C6 | C7 | C8 | C10 | 178.2° | 180.0° |
| C7 | C8 | N9 | C10 | 176.9° | 179.6° |
| C7 | C8 | C10 | C24 | 130.9° | 155.0° |
| C7 | C8 | C10 | N26 | 42.9° | 24.7° |
| N9 | C8 | C10 | C24 | 45.5° | 24.5° |
| N9 | C8 | C10 | N26 | 140.6° | 155.8° |
| N9 | C8 | C7 | H35 | 178.5° | 179.5° |
| C8 | C10 | C24 | N26 | 173.1° | 179.7° |
| C8 | C10 | C24 | N25 | 174.6° | 179.7° |
| C8 | C10 | C24 | C33 | 5.2° | 0.3° |
| C8 | C10 | N26 | C27 | 176.6° | 179.7° |
| C10 | C8 | C7 | H35 | 1.8° | 0.1° |
| C10 | C24 | N25 | C33 | 179.8° | 180.0° |
| C10 | C24 | N25 | C28 | 0.1° | 0.0° |
| C24 | C10 | N26 | C27 | 2.4° | 0.0° |
| C10 | C24 | C33 | H59 | 179.8° | 90.0° |
| C10 | C24 | C33 | H58 | 60.2° | 150.0° |
| C10 | C24 | C33 | H57 | 59.8° | 30.0° |
| N26 | C10 | C24 | N25 | 1.5° | 0.0° |
| N26 | C10 | C24 | C33 | 178.3° | 180.0° |
| C10 | N26 | C27 | C28 | 1.9° | 0.0° |
| C10 | N26 | C27 | C32 | 178.3° | 180.0° |
| N11 | C12 | C13 | H36 | 119.1° | 118.8° |
| N11 | C12 | C13 | H37 | 119.1° | 118.9° |
| N11 | C12 | C13 | C14 | 16.6° | 37.1° |
| C12 | N11 | C15 | C14 | 12.3° | 1.1° |
| N11 | C12 | C13 | H38 | 103.0° | 81.1° |
| N11 | C12 | C13 | H39 | 136.2° | 155.1° |
| C12 | N11 | C15 | H42 | 131.4° | 118.3° |
| C12 | N11 | C15 | H41 | 106.9° | 120.6° |
| N11 | C12 | H36 | H37 | 122.7° | 122.4° |
| C15 | N11 | C12 | C13 | 2.5° | 24.2° |
| N11 | C15 | C14 | C13 | 22.2° | 22.2° |
| N11 | C15 | C14 | F23 | 95.1° | 96.2° |
| N11 | C15 | C14 | H42 | 119.2° | 119.4° |
| N11 | C15 | C14 | H41 | 119.2° | 119.5° |
| N11 | C15 | H42 | H41 | 122.5° | 121.0° |
| C15 | N11 | C12 | H36 | 121.6° | 94.6° |
| C15 | N11 | C12 | H37 | 116.6° | 143.0° |
| N11 | C15 | C14 | H40 | 141.7° | 140.6° |
| C12 | C13 | C14 | H38 | 119.6° | 118.1° |
| C12 | C13 | C14 | H39 | 119.6° | 118.1° |
| C12 | C13 | C14 | F23 | 93.6° | 82.8° |
| C12 | C13 | C14 | C15 | 24.4° | 35.5° |
| C12 | C13 | H38 | H39 | 121.1° | 123.9° |
| C13 | C12 | H36 | H37 | 122.6° | 122.2° |
| C12 | C13 | C14 | H40 | 143.8° | 154.0° |
| C13 | C14 | F23 | C15 | 115.8° | 113.5° |
| C13 | C14 | F23 | H40 | 121.8° | 123.2° |
| C13 | C14 | C15 | H40 | 119.4° | 118.4° |
| C14 | C13 | H38 | H39 | 121.1° | 123.9° |
| C13 | C14 | C15 | H42 | 141.4° | 141.6° |
| C13 | C14 | C15 | H41 | 96.9° | 97.2° |
| C14 | C13 | C12 | H36 | 135.7° | 81.8° |
| C14 | C13 | C12 | H37 | 102.5° | 155.9° |
| F23 | C14 | C15 | H40 | 123.2° | 123.2° |
| F23 | C14 | C13 | H38 | 146.7° | 159.1° |
| F23 | C14 | C13 | H39 | 26.0° | 35.2° |
| F23 | C14 | C15 | H42 | 24.1° | 23.2° |
| F23 | C14 | C15 | H41 | 145.7° | 144.3° |
| C15 | C14 | C13 | H38 | 95.2° | 82.6° |
| C15 | C14 | C13 | H39 | 144.1° | 153.6° |
| C14 | C15 | H42 | H41 | 122.4° | 121.2° |
| N16 | C17 | C18 | C22 | 117.2° | 119.9° |
| N16 | C17 | C18 | H44 | 123.7° | 120.3° |
| N16 | C17 | C22 | H44 | 116.8° | 120.2° |
| N16 | C17 | C18 | C19 | 170.5° | 176.9° |
| N16 | C17 | C22 | C21 | 171.8° | 176.9° |
| N16 | C17 | C18 | H46 | 70.0° | 63.3° |
| N16 | C17 | C18 | H45 | 51.0° | 56.9° |
| N16 | C17 | C22 | H51 | 51.0° | 57.0° |
| N16 | C17 | C22 | H52 | 67.4° | 63.2° |
| C18 | C17 | C22 | H44 | 119.3° | 119.9° |
| C17 | C18 | C19 | H46 | 119.5° | 119.8° |
| C17 | C18 | C19 | H45 | 119.5° | 119.9° |
| C17 | C18 | C19 | O20 | 64.0° | 57.6° |
| C18 | C17 | C22 | C21 | 47.9° | 57.0° |
| C17 | C18 | H46 | H45 | 121.4° | 120.1° |
| C17 | C18 | C19 | H48 | 56.4° | 62.4° |
| C17 | C18 | C19 | H47 | 175.7° | 177.6° |
| C18 | C17 | C22 | H51 | 72.9° | 62.9° |
| C18 | C17 | C22 | H52 | 168.7° | 176.9° |
| C18 | C17 | N16 | H43 | 20.4° | 25.0° |
| C22 | C17 | C18 | C19 | 53.4° | 57.0° |
| C17 | C22 | C21 | O20 | 47.2° | 57.6° |
| C17 | C22 | C21 | H51 | 120.8° | 119.9° |
| C17 | C22 | C21 | H52 | 120.8° | 119.9° |
| C22 | C17 | C18 | H46 | 172.9° | 176.9° |
| C22 | C17 | C18 | H45 | 66.2° | 63.0° |
| C17 | C22 | C21 | H50 | 73.1° | 177.5° |
| C17 | C22 | C21 | H49 | 167.5° | 62.3° |
| C17 | C22 | H51 | H52 | 117.5° | 120.2° |
| C22 | C17 | N16 | H43 | 141.1° | 94.6° |
| C18 | C19 | O20 | H48 | 120.3° | 120.0° |
| C18 | C19 | O20 | H47 | 120.3° | 120.0° |
| C18 | C19 | O20 | C21 | 65.7° | 61.2° |
| C19 | C18 | C17 | H44 | 65.8° | 62.9° |
| C19 | C18 | H46 | H45 | 121.4° | 120.2° |
| C18 | C19 | H48 | H47 | 119.1° | 120.0° |
| C19 | O20 | C21 | C22 | 54.7° | 61.1° |
| O20 | C19 | C18 | H46 | 176.5° | 177.5° |
| O20 | C19 | C18 | H45 | 55.6° | 62.3° |
| O20 | C19 | H48 | H47 | 119.1° | 120.0° |
| C19 | O20 | C21 | H50 | 65.5° | 178.9° |
| C19 | O20 | C21 | H49 | 175.0° | 58.8° |
| O20 | C21 | C22 | H50 | 120.3° | 120.0° |
| O20 | C21 | C22 | H49 | 120.3° | 119.9° |
| C21 | O20 | C19 | H48 | 54.6° | 58.9° |
| C21 | O20 | C19 | H47 | 173.9° | 178.8° |
| O20 | C21 | H50 | H49 | 119.2° | 120.0° |
| O20 | C21 | C22 | H51 | 73.6° | 62.3° |
| O20 | C21 | C22 | H52 | 168.0° | 177.5° |
| C21 | C22 | C17 | H44 | 71.4° | 62.9° |
| C22 | C21 | H50 | H49 | 119.2° | 120.1° |
| C21 | C22 | H51 | H52 | 117.5° | 120.1° |
| C24 | N25 | C28 | C27 | 0.5° | 0.0° |
| C24 | N25 | C28 | C29 | 178.0° | 180.0° |
| N25 | C24 | C33 | H59 | 0.0° | 90.0° |
| N25 | C24 | C33 | H58 | 120.0° | 29.9° |
| N25 | C24 | C33 | H57 | 120.0° | 150.0° |
| C33 | C24 | N25 | C28 | 179.9° | 180.0° |
| C24 | C33 | H59 | H58 | 120.0° | 120.0° |
| C24 | C33 | H59 | H57 | 120.0° | 120.1° |
| C24 | C33 | H58 | H57 | 120.0° | 120.0° |
| N25 | C28 | C27 | N26 | 0.5° | 0.0° |
| N25 | C28 | C27 | C29 | 178.6° | 179.9° |
| N25 | C28 | C27 | C32 | 179.8° | 180.0° |
| N25 | C28 | C29 | C30 | 179.8° | 180.0° |
| N25 | C28 | C29 | H53 | 0.2° | 0.0° |
| N26 | C27 | C28 | C32 | 179.8° | 180.0° |
| N26 | C27 | C28 | C29 | 179.0° | 180.0° |
| N26 | C27 | C32 | C31 | 179.6° | 180.0° |
| N26 | C27 | C32 | H56 | 0.4° | 0.0° |
| C27 | C28 | C29 | C30 | 1.2° | 0.0° |
| C28 | C27 | C32 | C31 | 0.6° | 0.1° |
| C27 | C28 | C29 | H53 | 178.7° | 180.0° |
| C28 | C27 | C32 | H56 | 179.4° | 180.0° |
| C32 | C27 | C28 | C29 | 1.2° | 0.1° |
| C27 | C32 | C31 | C30 | 0.0° | 0.0° |
| C27 | C32 | C31 | H56 | 180.0° | 179.9° |
| C27 | C32 | C31 | H55 | 180.0° | 179.9° |
| C28 | C29 | C30 | H53 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C28 | C29 | C30 | H54 | 179.3° | 180.0° |
| C29 | C30 | C31 | H54 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H55 | 180.0° | 180.0° |
| C30 | C31 | C32 | H55 | 180.0° | 180.0° |
| C31 | C30 | C29 | H53 | 179.3° | 180.0° |
| C30 | C31 | C32 | H56 | 180.0° | 180.0° |
| C32 | C31 | C30 | H54 | 179.9° | 180.0° |
| H38 | C13 | C12 | H36 | 16.0° | 160.1° |
| H38 | C13 | C12 | H37 | 137.9° | 37.8° |
| H38 | C13 | C14 | H40 | 24.2° | 35.9° |
| H39 | C13 | C12 | H36 | 104.8° | 36.3° |
| H39 | C13 | C12 | H37 | 17.1° | 86.0° |
| H39 | C13 | C14 | H40 | 96.6° | 87.9° |
| H42 | C15 | C14 | H40 | 99.2° | 100.0° |
| H41 | C15 | C14 | H40 | 22.5° | 21.2° |
| H44 | C17 | C18 | H46 | 53.7° | 57.0° |
| H44 | C17 | C18 | H45 | 174.7° | 177.2° |
| H44 | C17 | C22 | H51 | 167.8° | 177.2° |
| H44 | C17 | C22 | H52 | 49.4° | 57.0° |
| H44 | C17 | N16 | H43 | 102.9° | 145.2° |
| H46 | C18 | C19 | H48 | 63.2° | 57.4° |
| H46 | C18 | C19 | H47 | 56.2° | 62.5° |
| H45 | C18 | C19 | H48 | 175.9° | 177.7° |
| H45 | C18 | C19 | H47 | 64.8° | 57.7° |
| H50 | C21 | C22 | H51 | 166.1° | 57.6° |
| H50 | C21 | C22 | H52 | 47.7° | 62.5° |
| H49 | C21 | C22 | H51 | 46.6° | 177.8° |
| H49 | C21 | C22 | H52 | 71.7° | 57.6° |
| H53 | C29 | C30 | H54 | 0.7° | 0.0° |
| H54 | C30 | C31 | H55 | 0.0° | 0.1° |
| H55 | C31 | C32 | H56 | 0.0° | 0.0° |
| H59 | C33 | H58 | H57 | 120.0° | 120.0° |
