YQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.51Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| N1 | C26 | sing | 1.35Å | 1.41Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.58Å | |
| C3 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | C7 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.55Å | 1.57Å | |
| C6 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C10 | sing | 1.54Å | 1.52Å | |
| C8 | N9 | sing | 1.47Å | 1.49Å | |
| N9 | C10 | sing | 1.47Å | 1.46Å | |
| N9 | C15 | sing | 1.35Å | 1.37Å | |
| C15 | C16 | sing | 1.48Å | 1.51Å | |
| C15 | O17 | doub | 1.22Å | 1.25Å | |
| C16 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.36Å | Aromatic |
| C19 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.45Å | Aromatic |
| C21 | N25 | sing | 1.35Å | 1.41Å | Aromatic |
| C22 | N23 | sing | 1.37Å | 1.37Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.40Å | Aromatic |
| N24 | N25 | doub | 1.29Å | 1.29Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.50Å | |
| C26 | O28 | doub | 1.22Å | 1.22Å | |
| C27 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C40 | sing | 1.51Å | 1.50Å | |
| C31 | N32 | doub | 1.32Å | 1.34Å | Aromatic |
| N32 | C33 | sing | 1.32Å | 1.37Å | Aromatic |
| C33 | O34 | sing | 1.35Å | 1.35Å | |
| O34 | C35 | sing | 1.43Å | 1.40Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C36 | F37 | sing | 1.40Å | 1.33Å | |
| C36 | F38 | sing | 1.40Å | 1.36Å | |
| C36 | F39 | sing | 1.40Å | 1.35Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C18 | H51 | sing | 1.08Å | 1.08Å | |
| C19 | H52 | sing | 1.08Å | 1.08Å | |
| C20 | H53 | sing | 1.08Å | 1.08Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C2 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| N23 | H54 | sing | 0.97Å | 1.00Å | |
| C29 | H55 | sing | 1.08Å | 1.08Å | |
| C31 | H56 | sing | 1.08Å | 1.08Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 114.1° | 109.4° |
| C2 | N1 | C26 | 121.3° | 125.3° |
| N1 | C2 | C3 | 104.2° | 106.7° |
| N1 | C2 | H44 | 110.8° | 110.1° |
| N1 | C2 | H43 | 110.8° | 110.0° |
| C5 | N1 | C26 | 124.6° | 125.3° |
| N1 | C5 | C4 | 104.7° | 107.9° |
| N1 | C5 | H45 | 110.7° | 109.8° |
| N1 | C5 | H46 | 110.7° | 109.8° |
| N1 | C26 | C27 | 122.0° | 120.0° |
| N1 | C26 | O28 | 118.7° | 120.0° |
| C2 | C3 | C4 | 106.6° | 103.7° |
| C2 | C3 | C6 | 115.6° | 113.8° |
| C3 | C2 | H44 | 110.8° | 110.0° |
| C3 | C2 | H43 | 110.8° | 110.0° |
| C2 | C3 | H12 | 114.6° | 115.0° |
| C4 | C3 | C6 | 89.3° | 87.2° |
| C3 | C4 | C5 | 108.2° | 104.5° |
| C3 | C4 | C7 | 90.2° | 87.0° |
| C4 | C3 | H12 | 113.8° | 116.6° |
| C3 | C4 | H11 | 114.8° | 116.6° |
| C3 | C6 | C7 | 89.1° | 87.2° |
| C3 | C6 | C8 | 117.6° | 113.9° |
| C6 | C3 | H12 | 114.0° | 116.7° |
| C3 | C6 | H14 | 113.6° | 115.8° |
| C5 | C4 | C7 | 109.3° | 113.2° |
| C5 | C4 | H11 | 115.7° | 115.0° |
| C4 | C5 | H45 | 110.7° | 109.7° |
| C4 | C5 | H46 | 110.7° | 109.8° |
| C4 | C7 | C6 | 91.0° | 87.1° |
| C4 | C7 | C10 | 112.2° | 113.1° |
| C7 | C4 | H11 | 115.7° | 116.8° |
| C4 | C7 | H13 | 114.9° | 116.4° |
| C7 | C6 | C8 | 106.0° | 104.5° |
| C6 | C7 | C10 | 107.2° | 103.6° |
| C7 | C6 | H14 | 113.5° | 116.4° |
| C6 | C7 | H13 | 114.1° | 117.6° |
| C6 | C8 | N9 | 100.4° | 107.9° |
| C8 | C6 | H14 | 114.1° | 115.4° |
| C6 | C8 | H48 | 111.7° | 109.8° |
| C6 | C8 | H47 | 111.7° | 109.8° |
| C7 | C10 | N9 | 102.6° | 106.7° |
| C7 | C10 | H49 | 111.2° | 110.0° |
| C7 | C10 | H50 | 111.2° | 110.0° |
| C10 | C7 | H13 | 114.9° | 115.3° |
| C8 | N9 | C10 | 112.2° | 109.4° |
| C8 | N9 | C15 | 121.8° | 125.3° |
| N9 | C8 | H48 | 111.7° | 109.8° |
| N9 | C8 | H47 | 111.7° | 109.8° |
| C10 | N9 | C15 | 126.0° | 125.3° |
| N9 | C10 | H49 | 111.2° | 110.1° |
| N9 | C10 | H50 | 111.1° | 110.0° |
| N9 | C15 | C16 | 120.8° | 120.0° |
| N9 | C15 | O17 | 118.6° | 120.0° |
| C16 | C15 | O17 | 120.5° | 120.0° |
| C15 | C16 | C18 | 116.6° | 119.9° |
| C15 | C16 | C20 | 119.8° | 119.9° |
| C18 | C16 | C20 | 123.6° | 120.3° |
| C16 | C18 | C19 | 122.6° | 120.5° |
| C16 | C18 | H51 | 118.7° | 119.8° |
| C16 | C20 | C21 | 114.6° | 119.5° |
| C16 | C20 | H53 | 122.7° | 120.2° |
| C18 | C19 | C22 | 116.5° | 120.1° |
| C19 | C18 | H51 | 118.7° | 119.7° |
| C18 | C19 | H52 | 121.7° | 119.9° |
| C19 | C22 | C21 | 121.9° | 120.2° |
| C19 | C22 | N23 | 132.7° | 133.7° |
| C22 | C19 | H52 | 121.8° | 120.0° |
| C20 | C21 | C22 | 120.8° | 119.4° |
| C20 | C21 | N25 | 132.2° | 133.0° |
| C21 | C20 | H53 | 122.7° | 120.2° |
| C22 | C21 | N25 | 107.0° | 107.6° |
| C21 | C22 | N23 | 105.4° | 106.1° |
| C21 | N25 | N24 | 107.9° | 110.1° |
| C22 | N23 | N24 | 107.6° | 106.7° |
| C22 | N23 | H54 | 126.2° | 126.7° |
| N23 | N24 | N25 | 112.2° | 109.5° |
| N24 | N23 | H54 | 126.2° | 126.6° |
| C27 | C26 | O28 | 119.3° | 120.0° |
| C26 | C27 | C29 | 127.0° | 120.5° |
| C26 | C27 | C31 | 114.7° | 120.5° |
| C29 | C27 | C31 | 118.2° | 119.0° |
| C27 | C29 | C30 | 121.3° | 118.3° |
| C27 | C29 | H55 | 119.4° | 120.8° |
| C27 | C31 | N32 | 122.4° | 120.6° |
| C27 | C31 | H56 | 118.8° | 119.7° |
| C29 | C30 | C33 | 115.2° | 119.3° |
| C29 | C30 | C40 | 124.1° | 120.3° |
| C30 | C29 | H55 | 119.3° | 120.8° |
| C33 | C30 | C40 | 120.7° | 120.4° |
| C30 | C33 | N32 | 125.2° | 120.9° |
| C30 | C33 | O34 | 116.3° | 119.5° |
| C30 | C40 | C41 | 118.5° | 117.5° |
| C30 | C40 | C42 | 120.6° | 117.5° |
| C30 | C40 | H59 | 115.9° | 115.5° |
| C31 | N32 | C33 | 117.6° | 121.8° |
| N32 | C31 | H56 | 118.8° | 119.7° |
| N32 | C33 | O34 | 118.5° | 119.5° |
| C33 | O34 | C35 | 116.1° | 117.0° |
| O34 | C35 | C36 | 100.6° | 109.5° |
| O34 | C35 | H57 | 111.6° | 109.5° |
| O34 | C35 | H58 | 111.6° | 109.5° |
| C35 | C36 | F37 | 115.4° | 109.5° |
| C35 | C36 | F38 | 108.4° | 109.5° |
| C35 | C36 | F39 | 114.3° | 109.5° |
| C36 | C35 | H57 | 111.7° | 109.4° |
| C36 | C35 | H58 | 111.6° | 109.5° |
| F37 | C36 | F38 | 106.6° | 109.5° |
| F37 | C36 | F39 | 100.0° | 109.5° |
| F38 | C36 | F39 | 111.8° | 109.4° |
| C41 | C40 | C42 | 59.3° | 60.0° |
| C40 | C41 | C42 | 60.6° | 60.0° |
| C41 | C40 | H59 | 115.4° | 117.5° |
| C40 | C41 | H60 | 119.9° | 117.5° |
| C40 | C41 | H61 | 119.9° | 117.5° |
| C40 | C42 | C41 | 60.1° | 60.0° |
| C42 | C40 | H59 | 115.3° | 117.5° |
| C40 | C42 | H63 | 120.0° | 117.5° |
| C40 | C42 | H62 | 120.0° | 117.5° |
| C42 | C41 | H60 | 119.9° | 117.4° |
| C42 | C41 | H61 | 119.9° | 117.5° |
| C41 | C42 | H63 | 120.0° | 117.5° |
| C41 | C42 | H62 | 119.9° | 117.5° |
| H49 | C10 | H50 | 109.5° | 110.0° |
| H44 | C2 | H43 | 109.5° | 110.0° |
| H45 | C5 | H46 | 109.4° | 109.8° |
| H48 | C8 | H47 | 109.5° | 109.8° |
| H57 | C35 | H58 | 109.5° | 109.5° |
| H60 | C41 | H61 | 109.5° | 115.6° |
| H63 | C42 | H62 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | C26 | 179.0° | 179.9° |
| N1 | C2 | C3 | H44 | 119.1° | 119.3° |
| N1 | C2 | C3 | H43 | 119.1° | 119.3° |
| N1 | C2 | C3 | C4 | 14.8° | 27.3° |
| N1 | C2 | C3 | C6 | 82.6° | 65.8° |
| C2 | N1 | C5 | C4 | 8.5° | 1.2° |
| C2 | N1 | C26 | C27 | 179.2° | 174.8° |
| C2 | N1 | C26 | O28 | 0.2° | 5.2° |
| N1 | C2 | H44 | H43 | 122.5° | 121.4° |
| N1 | C2 | C3 | H12 | 141.6° | 155.8° |
| C2 | N1 | C5 | H45 | 110.7° | 118.4° |
| C2 | N1 | C5 | H46 | 127.8° | 120.8° |
| C5 | N1 | C2 | C3 | 15.1° | 18.1° |
| N1 | C5 | C4 | C3 | 1.5° | 15.9° |
| N1 | C5 | C4 | H45 | 119.2° | 119.6° |
| N1 | C5 | C4 | H46 | 119.3° | 119.6° |
| N1 | C5 | C4 | C7 | 98.4° | 108.9° |
| C5 | N1 | C26 | C27 | 0.2° | 5.1° |
| C5 | N1 | C26 | O28 | 178.7° | 174.8° |
| C5 | N1 | C2 | H44 | 134.2° | 137.4° |
| C5 | N1 | C2 | H43 | 104.1° | 101.2° |
| N1 | C5 | C4 | H11 | 128.8° | 113.2° |
| N1 | C5 | H45 | H46 | 122.2° | 120.8° |
| C26 | N1 | C2 | C3 | 165.9° | 161.8° |
| C26 | N1 | C5 | C4 | 172.5° | 178.7° |
| N1 | C26 | C27 | O28 | 179.0° | 179.9° |
| N1 | C26 | C27 | C29 | 79.2° | 8.1° |
| N1 | C26 | C27 | C31 | 101.5° | 172.2° |
| C26 | N1 | C2 | H44 | 46.7° | 42.6° |
| C26 | N1 | C2 | H43 | 75.0° | 78.8° |
| C26 | N1 | C5 | H45 | 68.3° | 61.7° |
| C26 | N1 | C5 | H46 | 53.2° | 59.1° |
| C2 | C3 | C4 | C6 | 116.6° | 113.9° |
| C2 | C3 | C4 | H12 | 127.4° | 127.5° |
| C2 | C3 | C6 | H12 | 136.0° | 137.7° |
| C2 | C3 | C4 | C5 | 10.5° | 25.9° |
| C2 | C3 | C4 | C7 | 121.0° | 139.1° |
| C2 | C3 | C6 | C7 | 112.4° | 128.9° |
| C2 | C3 | C6 | C8 | 139.9° | 126.5° |
| C3 | C2 | H44 | H43 | 122.4° | 121.3° |
| C2 | C3 | C4 | H11 | 120.4° | 102.3° |
| C2 | C3 | C6 | H14 | 3.0° | 10.8° |
| C4 | C3 | C6 | H12 | 115.9° | 118.5° |
| C3 | C4 | C5 | C7 | 96.9° | 93.0° |
| C3 | C4 | C5 | H11 | 130.4° | 129.1° |
| C3 | C4 | C7 | H11 | 117.9° | 118.4° |
| C4 | C3 | C6 | C7 | 4.3° | 25.1° |
| C4 | C3 | C6 | C8 | 112.0° | 129.7° |
| C3 | C4 | C7 | C10 | 104.6° | 78.6° |
| C4 | C3 | C2 | H44 | 134.0° | 146.6° |
| C4 | C3 | C2 | H43 | 104.3° | 92.0° |
| C3 | C4 | C5 | H45 | 120.8° | 135.5° |
| C3 | C4 | C5 | H46 | 117.7° | 103.7° |
| C4 | C3 | C6 | H14 | 111.1° | 93.0° |
| C3 | C4 | C7 | H13 | 121.6° | 144.5° |
| C6 | C3 | C4 | C5 | 106.0° | 87.9° |
| C3 | C6 | C7 | C8 | 118.5° | 114.0° |
| C3 | C6 | C7 | H14 | 115.4° | 117.5° |
| C3 | C6 | C8 | H14 | 136.7° | 137.5° |
| C3 | C6 | C7 | C10 | 109.3° | 87.8° |
| C3 | C6 | C8 | N9 | 72.2° | 77.3° |
| C6 | C3 | C2 | H44 | 36.6° | 53.5° |
| C6 | C3 | C2 | H43 | 158.3° | 174.9° |
| C6 | C3 | C4 | H11 | 123.1° | 143.9° |
| C3 | C6 | C7 | H13 | 122.3° | 143.7° |
| C3 | C6 | C8 | H48 | 169.3° | 163.1° |
| C3 | C6 | C8 | H47 | 46.4° | 42.3° |
| C5 | C4 | C7 | H11 | 132.8° | 137.1° |
| C5 | C4 | C7 | C6 | 105.0° | 79.5° |
| C5 | C4 | C7 | C10 | 146.0° | 176.9° |
| C5 | C4 | C3 | H12 | 137.9° | 153.4° |
| C4 | C5 | H45 | H46 | 122.2° | 120.7° |
| C5 | C4 | C7 | H13 | 12.3° | 40.0° |
| C4 | C7 | C6 | C10 | 113.7° | 113.1° |
| C4 | C7 | C6 | H13 | 117.9° | 118.4° |
| C4 | C7 | C6 | C8 | 122.9° | 139.2° |
| C4 | C7 | C10 | H13 | 133.7° | 137.4° |
| C4 | C7 | C10 | N9 | 86.8° | 120.2° |
| C4 | C7 | C10 | H49 | 32.1° | 0.9° |
| C4 | C7 | C10 | H50 | 154.3° | 120.5° |
| C7 | C4 | C3 | H12 | 111.7° | 93.4° |
| C7 | C4 | C5 | H45 | 142.4° | 131.5° |
| C7 | C4 | C5 | H46 | 20.9° | 10.7° |
| C4 | C7 | C6 | H14 | 111.0° | 92.2° |
| C7 | C6 | C8 | H14 | 125.7° | 129.1° |
| C6 | C7 | C10 | H13 | 127.9° | 129.9° |
| C7 | C6 | C8 | N9 | 25.5° | 16.1° |
| C6 | C7 | C10 | N9 | 11.6° | 27.5° |
| C6 | C7 | C10 | H49 | 130.5° | 91.8° |
| C6 | C7 | C10 | H50 | 107.3° | 146.8° |
| C7 | C6 | C3 | H12 | 111.6° | 93.4° |
| C6 | C7 | C4 | H11 | 122.2° | 143.4° |
| C7 | C6 | C8 | H48 | 93.1° | 103.5° |
| C7 | C6 | C8 | H47 | 144.0° | 135.7° |
| C8 | C6 | C7 | C10 | 9.2° | 26.2° |
| C6 | C8 | N9 | H48 | 118.5° | 119.6° |
| C6 | C8 | N9 | H47 | 118.5° | 119.6° |
| C6 | C8 | N9 | C10 | 35.9° | 1.1° |
| C6 | C8 | N9 | C15 | 144.0° | 178.9° |
| C8 | C6 | C3 | H12 | 3.9° | 11.2° |
| C8 | C6 | C7 | H13 | 119.2° | 102.4° |
| C6 | C8 | H48 | H47 | 124.2° | 120.8° |
| C7 | C10 | N9 | C8 | 30.4° | 18.2° |
| C7 | C10 | N9 | H49 | 118.9° | 119.3° |
| C7 | C10 | N9 | H50 | 118.9° | 119.3° |
| C7 | C10 | N9 | C15 | 149.4° | 161.8° |
| C7 | C10 | H49 | H50 | 123.2° | 121.3° |
| C10 | C7 | C4 | H11 | 13.2° | 39.8° |
| C10 | C7 | C6 | H14 | 135.3° | 154.7° |
| C8 | N9 | C10 | C15 | 179.8° | 180.0° |
| C8 | N9 | C15 | C16 | 178.1° | 175.5° |
| C8 | N9 | C15 | O17 | 0.5° | 4.5° |
| C8 | N9 | C10 | H49 | 149.3° | 101.2° |
| C8 | N9 | C10 | H50 | 88.5° | 137.5° |
| N9 | C8 | C6 | H14 | 151.1° | 145.3° |
| N9 | C8 | H48 | H47 | 124.2° | 120.8° |
| C10 | N9 | C15 | C16 | 1.8° | 4.5° |
| C10 | N9 | C15 | O17 | 179.3° | 175.5° |
| N9 | C10 | H49 | H50 | 123.2° | 121.4° |
| N9 | C10 | C7 | H13 | 139.5° | 102.4° |
| C10 | N9 | C8 | H48 | 82.7° | 120.7° |
| C10 | N9 | C8 | H47 | 154.4° | 118.5° |
| N9 | C15 | C16 | O17 | 177.5° | 180.0° |
| N9 | C15 | C16 | C18 | 76.5° | 146.3° |
| N9 | C15 | C16 | C20 | 104.3° | 34.1° |
| C15 | N9 | C10 | H49 | 30.5° | 78.8° |
| C15 | N9 | C10 | H50 | 91.7° | 42.6° |
| C15 | N9 | C8 | H48 | 97.5° | 59.3° |
| C15 | N9 | C8 | H47 | 25.4° | 61.5° |
| C15 | C16 | C18 | C20 | 179.1° | 179.7° |
| C15 | C16 | C18 | C19 | 179.3° | 180.0° |
| C15 | C16 | C20 | C21 | 178.6° | 180.0° |
| C15 | C16 | C18 | H51 | 0.7° | 0.0° |
| C15 | C16 | C20 | H53 | 1.4° | 0.0° |
| O17 | C15 | C16 | C18 | 101.0° | 33.7° |
| O17 | C15 | C16 | C20 | 78.2° | 145.9° |
| C16 | C18 | C19 | H51 | 180.0° | 179.9° |
| C16 | C18 | C19 | C22 | 0.9° | 0.1° |
| C18 | C16 | C20 | C21 | 0.5° | 0.3° |
| C16 | C18 | C19 | H52 | 179.2° | 179.9° |
| C18 | C16 | C20 | H53 | 179.5° | 179.7° |
| C20 | C16 | C18 | C19 | 0.2° | 0.3° |
| C16 | C20 | C21 | H53 | 180.0° | 180.0° |
| C16 | C20 | C21 | C22 | 0.5° | 0.0° |
| C16 | C20 | C21 | N25 | 179.8° | 179.9° |
| C20 | C16 | C18 | H51 | 179.8° | 179.7° |
| C18 | C19 | C22 | H52 | 180.0° | 180.0° |
| C18 | C19 | C22 | C21 | 0.9° | 0.2° |
| C18 | C19 | C22 | N23 | 179.4° | 180.0° |
| C19 | C22 | C21 | C20 | 0.2° | 0.2° |
| C19 | C22 | C21 | N23 | 179.8° | 179.8° |
| C19 | C22 | C21 | N25 | 179.6° | 179.7° |
| C19 | C22 | N23 | N24 | 179.8° | 180.0° |
| C22 | C19 | C18 | H51 | 179.2° | 180.0° |
| C19 | C22 | N23 | H54 | 0.2° | 0.0° |
| C20 | C21 | C22 | N25 | 179.8° | 179.9° |
| C20 | C21 | C22 | N23 | 180.0° | 179.9° |
| C20 | C21 | N25 | N24 | 179.9° | 179.6° |
| C21 | C22 | N23 | N24 | 0.0° | 0.2° |
| C22 | C21 | N25 | N24 | 0.4° | 0.5° |
| C21 | C22 | C19 | H52 | 179.1° | 179.8° |
| C22 | C21 | C20 | H53 | 179.5° | 180.0° |
| C21 | C22 | N23 | H54 | 180.0° | 179.8° |
| N25 | C21 | C22 | N23 | 0.2° | 0.1° |
| C21 | N25 | N24 | N23 | 0.4° | 0.7° |
| N25 | C21 | C20 | H53 | 0.2° | 0.1° |
| C22 | N23 | N24 | H54 | 180.0° | 180.0° |
| C22 | N23 | N24 | N25 | 0.2° | 0.6° |
| N23 | C22 | C19 | H52 | 0.6° | 0.0° |
| N25 | N24 | N23 | H54 | 179.8° | 179.5° |
| C26 | C27 | C29 | C31 | 179.3° | 179.8° |
| C26 | C27 | C29 | C30 | 179.0° | 180.0° |
| C26 | C27 | C31 | N32 | 179.6° | 180.0° |
| C26 | C27 | C29 | H55 | 1.0° | 0.0° |
| C26 | C27 | C31 | H56 | 0.4° | 0.0° |
| O28 | C26 | C27 | C29 | 101.8° | 171.9° |
| O28 | C26 | C27 | C31 | 77.5° | 7.9° |
| C27 | C29 | C30 | H55 | 180.0° | 180.0° |
| C27 | C29 | C30 | C33 | 0.8° | 0.0° |
| C27 | C29 | C30 | C40 | 179.8° | 180.0° |
| C29 | C27 | C31 | N32 | 0.2° | 0.2° |
| C29 | C27 | C31 | H56 | 179.8° | 179.8° |
| C31 | C27 | C29 | C30 | 0.3° | 0.3° |
| C27 | C31 | N32 | H56 | 180.0° | 180.0° |
| C27 | C31 | N32 | C33 | 0.1° | 0.1° |
| C31 | C27 | C29 | H55 | 179.7° | 179.7° |
| C29 | C30 | C33 | C40 | 179.4° | 180.0° |
| C29 | C30 | C33 | N32 | 1.0° | 0.4° |
| C29 | C30 | C33 | O34 | 179.4° | 180.0° |
| C29 | C30 | C40 | C41 | 48.7° | 60.0° |
| C29 | C30 | C40 | C42 | 20.6° | 8.7° |
| C29 | C30 | C40 | H59 | 167.6° | 154.3° |
| C30 | C33 | N32 | C31 | 0.5° | 0.4° |
| C30 | C33 | N32 | O34 | 179.6° | 179.6° |
| C30 | C33 | O34 | C35 | 179.8° | 180.0° |
| C33 | C30 | C40 | C41 | 130.6° | 120.0° |
| C33 | C30 | C40 | C42 | 160.1° | 171.3° |
| C33 | C30 | C29 | H55 | 179.2° | 180.0° |
| C33 | C30 | C40 | H59 | 13.1° | 25.7° |
| C40 | C30 | C33 | N32 | 179.7° | 179.7° |
| C40 | C30 | C33 | O34 | 0.1° | 0.0° |
| C30 | C40 | C41 | C42 | 110.6° | 107.5° |
| C30 | C40 | C41 | H59 | 143.9° | 145.0° |
| C30 | C40 | C42 | H59 | 147.2° | 145.0° |
| C40 | C30 | C29 | H55 | 0.2° | 0.0° |
| C30 | C40 | C41 | H60 | 1.0° | 0.1° |
| C30 | C40 | C41 | H61 | 139.8° | 145.0° |
| C30 | C40 | C42 | H63 | 143.4° | 145.0° |
| C30 | C40 | C42 | H62 | 2.4° | 0.0° |
| C31 | N32 | C33 | O34 | 179.9° | 180.0° |
| N32 | C33 | O34 | C35 | 0.5° | 0.3° |
| C33 | N32 | C31 | H56 | 179.9° | 179.9° |
| C33 | O34 | C35 | C36 | 173.6° | 180.0° |
| C33 | O34 | C35 | H57 | 55.0° | 60.0° |
| C33 | O34 | C35 | H58 | 67.9° | 60.0° |
| O34 | C35 | C36 | H57 | 118.5° | 120.0° |
| O34 | C35 | C36 | H58 | 118.6° | 120.0° |
| O34 | C35 | C36 | F37 | 50.6° | 60.0° |
| O34 | C35 | C36 | F38 | 170.0° | 180.0° |
| O34 | C35 | C36 | F39 | 64.6° | 60.0° |
| O34 | C35 | H57 | H58 | 124.1° | 120.0° |
| C35 | C36 | F37 | F38 | 120.4° | 120.0° |
| C35 | C36 | F37 | F39 | 123.1° | 120.0° |
| C35 | C36 | F38 | F39 | 126.9° | 120.0° |
| C36 | C35 | H57 | H58 | 124.1° | 120.0° |
| F37 | C36 | F38 | F39 | 108.3° | 120.0° |
| F37 | C36 | C35 | H57 | 67.9° | 60.0° |
| F37 | C36 | C35 | H58 | 169.2° | 180.0° |
| F38 | C36 | C35 | H57 | 51.5° | 60.0° |
| F38 | C36 | C35 | H58 | 71.4° | 60.0° |
| F39 | C36 | C35 | H57 | 176.9° | 180.0° |
| F39 | C36 | C35 | H58 | 54.0° | 60.0° |
| C41 | C40 | C42 | H59 | 105.8° | 107.5° |
| C40 | C41 | C42 | H60 | 109.6° | 107.5° |
| C40 | C41 | C42 | H61 | 109.6° | 107.5° |
| C40 | C41 | H60 | H61 | 144.4° | 145.8° |
| C41 | C40 | C42 | H63 | 109.5° | 107.5° |
| C41 | C40 | C42 | H62 | 109.5° | 107.5° |
| C40 | C42 | H63 | H62 | 144.7° | 145.7° |
| C42 | C41 | H60 | H61 | 144.4° | 145.6° |
| C41 | C42 | H63 | H62 | 144.6° | 145.7° |
| H49 | C10 | C7 | H13 | 101.6° | 138.2° |
| H50 | C10 | C7 | H13 | 20.6° | 16.9° |
| H51 | C18 | C19 | H52 | 0.8° | 0.0° |
| H44 | C2 | C3 | H12 | 99.2° | 84.9° |
| H43 | C2 | C3 | H12 | 22.5° | 36.4° |
| H12 | C3 | C4 | H11 | 7.0° | 25.2° |
| H12 | C3 | C6 | H14 | 133.1° | 148.5° |
| H11 | C4 | C5 | H45 | 9.6° | 6.4° |
| H11 | C4 | C5 | H46 | 111.9° | 127.1° |
| H11 | C4 | C7 | H13 | 120.5° | 97.1° |
| H14 | C6 | C7 | H13 | 6.9° | 26.2° |
| H14 | C6 | C8 | H48 | 32.6° | 25.7° |
| H14 | C6 | C8 | H47 | 90.3° | 95.2° |
| H59 | C40 | C41 | H60 | 144.8° | 145.1° |
| H59 | C40 | C41 | H61 | 4.1° | 0.0° |
| H59 | C40 | C42 | H63 | 3.7° | 0.0° |
| H59 | C40 | C42 | H62 | 144.8° | 145.0° |
| H60 | C41 | C42 | H63 | 140.9° | 145.0° |
| H60 | C41 | C42 | H62 | 0.1° | 0.1° |
| H61 | C41 | C42 | H63 | 0.1° | 0.0° |
| H61 | C41 | C42 | H62 | 140.9° | 145.0° |
