YO2
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 | 1.47Å | |
| N1 | C15 | sing | 1.35Å | 1.42Å | |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C3 | C4 | sing | 1.55Å | 1.58Å | |
| C3 | C6 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.54Å | 1.54Å | |
| C4 | C7 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.55Å | 1.59Å | |
| C6 | C8 | sing | 1.54Å | 1.52Å | |
| C7 | C10 | sing | 1.54Å | 1.54Å | |
| C8 | N9 | sing | 1.47Å | 1.51Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| N9 | C17 | sing | 1.35Å | 1.43Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C15 | C28 | sing | 1.48Å | 1.53Å | |
| C17 | C18 | sing | 1.48Å | 1.52Å | |
| C17 | O19 | doub | 1.22Å | 1.24Å | |
| C18 | C20 | doub | 1.40Å | 1.37Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.47Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C24 | doub | 1.39Å | 1.36Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.49Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.43Å | Aromatic |
| C23 | N27 | sing | 1.35Å | 1.41Å | Aromatic |
| C24 | N25 | sing | 1.37Å | 1.37Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.35Å | Aromatic |
| N26 | N27 | doub | 1.29Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.36Å | Aromatic |
| C28 | C30 | sing | 1.40Å | 1.47Å | Aromatic |
| C29 | C35 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | C31 | doub | 1.37Å | 1.44Å | Aromatic |
| C31 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | O32 | sing | 1.36Å | 1.37Å | |
| O32 | C33 | sing | 1.43Å | 1.41Å | |
| C33 | C39 | sing | 1.53Å | 1.51Å | |
| C33 | C40 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | doub | 1.41Å | 1.45Å | Aromatic |
| C34 | C38 | sing | 1.46Å | 1.44Å | Aromatic |
| C35 | N36 | sing | 1.38Å | 1.39Å | Aromatic |
| N36 | C37 | sing | 1.37Å | 1.44Å | Aromatic |
| N36 | C41 | sing | 1.46Å | 1.53Å | |
| C37 | C38 | doub | 1.34Å | 1.42Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C20 | H51 | sing | 1.08Å | 1.08Å | |
| C21 | H52 | sing | 1.08Å | 1.08Å | |
| C22 | 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 | |
| N25 | H54 | sing | 0.97Å | 1.00Å | |
| C29 | H55 | sing | 1.08Å | 1.08Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.08Å | 1.08Å | |
| C38 | H59 | sing | 1.08Å | 1.08Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 111.2° | 109.3° |
| C2 | N1 | C15 | 122.8° | 125.3° |
| N1 | C2 | C3 | 103.9° | 106.7° |
| N1 | C2 | H44 | 110.8° | 109.9° |
| N1 | C2 | H43 | 110.8° | 110.0° |
| C5 | N1 | C15 | 123.3° | 125.3° |
| N1 | C5 | C4 | 106.1° | 108.0° |
| N1 | C5 | H45 | 110.3° | 109.7° |
| N1 | C5 | H46 | 110.3° | 109.8° |
| N1 | C15 | O16 | 119.9° | 120.0° |
| N1 | C15 | C28 | 121.3° | 120.0° |
| C2 | C3 | C4 | 105.8° | 103.7° |
| C2 | C3 | C6 | 119.0° | 113.8° |
| C3 | C2 | H44 | 110.9° | 110.0° |
| C3 | C2 | H43 | 110.9° | 110.0° |
| C2 | C3 | H12 | 113.8° | 115.0° |
| C4 | C3 | C6 | 88.1° | 87.2° |
| C3 | C4 | C5 | 107.1° | 104.5° |
| C3 | C4 | C7 | 92.1° | 87.1° |
| C4 | C3 | H12 | 113.4° | 116.6° |
| C3 | C4 | H11 | 113.8° | 116.6° |
| C3 | C6 | C7 | 90.2° | 87.2° |
| C3 | C6 | C8 | 117.3° | 113.9° |
| C6 | C3 | H12 | 113.5° | 116.7° |
| C3 | C6 | H14 | 113.2° | 115.8° |
| C5 | C4 | C7 | 112.6° | 113.2° |
| C5 | C4 | H11 | 114.4° | 115.0° |
| C4 | C5 | H45 | 110.3° | 109.8° |
| C4 | C5 | H46 | 110.3° | 109.8° |
| C4 | C7 | C6 | 89.4° | 87.1° |
| C4 | C7 | C10 | 113.6° | 113.1° |
| C7 | C4 | H11 | 114.6° | 116.8° |
| C4 | C7 | H13 | 115.1° | 116.3° |
| C7 | C6 | C8 | 106.6° | 104.5° |
| C6 | C7 | C10 | 107.0° | 103.6° |
| C7 | C6 | H14 | 112.9° | 116.3° |
| C6 | C7 | H13 | 114.0° | 117.6° |
| C6 | C8 | N9 | 103.1° | 107.9° |
| C8 | C6 | H14 | 114.0° | 115.4° |
| C6 | C8 | H48 | 111.0° | 109.8° |
| C6 | C8 | H47 | 111.0° | 109.8° |
| C7 | C10 | N9 | 103.7° | 106.7° |
| C7 | C10 | H49 | 110.9° | 110.0° |
| C7 | C10 | H50 | 110.9° | 110.0° |
| C10 | C7 | H13 | 114.8° | 115.4° |
| C8 | N9 | C10 | 111.4° | 109.4° |
| C8 | N9 | C17 | 120.0° | 125.3° |
| N9 | C8 | H48 | 111.0° | 109.7° |
| N9 | C8 | H47 | 111.0° | 109.8° |
| C10 | N9 | C17 | 128.6° | 125.3° |
| N9 | C10 | H49 | 110.9° | 110.1° |
| N9 | C10 | H50 | 110.9° | 110.0° |
| N9 | C17 | C18 | 122.1° | 120.0° |
| N9 | C17 | O19 | 120.0° | 120.0° |
| O16 | C15 | C28 | 118.8° | 120.0° |
| C15 | C28 | C29 | 119.8° | 119.8° |
| C15 | C28 | C30 | 118.7° | 119.8° |
| C18 | C17 | O19 | 117.7° | 120.0° |
| C17 | C18 | C20 | 111.7° | 119.9° |
| C17 | C18 | C22 | 122.5° | 119.9° |
| C20 | C18 | C22 | 125.8° | 120.3° |
| C18 | C20 | C21 | 120.3° | 120.4° |
| C18 | C20 | H51 | 119.8° | 119.8° |
| C18 | C22 | C23 | 112.3° | 119.6° |
| C18 | C22 | H53 | 123.9° | 120.2° |
| C20 | C21 | C24 | 117.8° | 120.2° |
| C21 | C20 | H51 | 119.9° | 119.8° |
| C20 | C21 | H52 | 121.1° | 119.9° |
| C21 | C24 | C23 | 126.0° | 120.2° |
| C21 | C24 | N25 | 127.7° | 133.7° |
| C24 | C21 | H52 | 121.1° | 119.9° |
| C22 | C23 | C24 | 117.7° | 119.3° |
| C22 | C23 | N27 | 136.7° | 133.1° |
| C23 | C22 | H53 | 123.8° | 120.2° |
| C24 | C23 | N27 | 105.5° | 107.6° |
| C23 | C24 | N25 | 106.2° | 106.0° |
| C23 | N27 | N26 | 109.0° | 110.1° |
| C24 | N25 | N26 | 111.1° | 106.7° |
| C24 | N25 | H54 | 124.5° | 126.7° |
| N25 | N26 | N27 | 108.1° | 109.5° |
| N26 | N25 | H54 | 124.5° | 126.6° |
| C29 | C28 | C30 | 121.4° | 120.4° |
| C28 | C29 | C35 | 118.0° | 119.8° |
| C28 | C29 | H55 | 121.0° | 120.1° |
| C28 | C30 | C31 | 119.2° | 120.3° |
| C28 | C30 | H56 | 120.4° | 119.8° |
| C29 | C35 | C34 | 123.4° | 119.5° |
| C29 | C35 | N36 | 127.9° | 133.3° |
| C35 | C29 | H55 | 121.0° | 120.1° |
| C30 | C31 | C34 | 120.1° | 119.9° |
| C30 | C31 | O32 | 128.0° | 120.0° |
| C31 | C30 | H56 | 120.4° | 119.9° |
| C34 | C31 | O32 | 111.4° | 120.1° |
| C31 | C34 | C35 | 117.8° | 120.2° |
| C31 | C34 | C38 | 134.2° | 133.8° |
| C31 | O32 | C33 | 115.0° | 117.0° |
| O32 | C33 | C39 | 97.1° | 109.5° |
| O32 | C33 | C40 | 109.9° | 109.4° |
| O32 | C33 | H57 | 112.7° | 109.5° |
| C39 | C33 | C40 | 115.2° | 109.5° |
| C39 | C33 | H57 | 111.1° | 109.5° |
| C33 | C39 | H60 | 109.5° | 109.5° |
| C33 | C39 | H62 | 109.4° | 109.5° |
| C33 | C39 | H61 | 109.5° | 109.5° |
| C40 | C33 | H57 | 110.4° | 109.5° |
| C33 | C40 | H63 | 109.5° | 109.5° |
| C33 | C40 | H65 | 109.5° | 109.4° |
| C33 | C40 | H64 | 109.5° | 109.5° |
| C35 | C34 | C38 | 108.0° | 106.0° |
| C34 | C35 | N36 | 108.6° | 107.2° |
| C34 | C38 | C37 | 106.2° | 107.0° |
| C34 | C38 | H59 | 126.9° | 126.5° |
| C35 | N36 | C37 | 107.2° | 109.8° |
| C35 | N36 | C41 | 123.5° | 125.1° |
| C37 | N36 | C41 | 129.2° | 125.1° |
| N36 | C37 | C38 | 109.9° | 109.9° |
| N36 | C37 | H58 | 125.1° | 125.0° |
| N36 | C41 | C42 | 115.2° | 109.4° |
| N36 | C41 | H66 | 108.0° | 109.4° |
| N36 | C41 | H67 | 108.0° | 109.5° |
| C38 | C37 | H58 | 125.0° | 125.0° |
| C37 | C38 | H59 | 126.9° | 126.5° |
| C42 | C41 | H66 | 108.0° | 109.5° |
| C42 | C41 | H67 | 108.0° | 109.5° |
| C41 | C42 | H68 | 109.5° | 109.4° |
| C41 | C42 | H70 | 109.4° | 109.5° |
| C41 | C42 | H69 | 109.5° | 109.4° |
| H49 | C10 | H50 | 109.5° | 110.0° |
| H44 | C2 | H43 | 109.4° | 110.1° |
| H45 | C5 | H46 | 109.5° | 109.8° |
| H48 | C8 | H47 | 109.4° | 109.8° |
| H60 | C39 | H62 | 109.5° | 109.5° |
| H60 | C39 | H61 | 109.5° | 109.4° |
| H62 | C39 | H61 | 109.5° | 109.5° |
| H63 | C40 | H65 | 109.5° | 109.5° |
| H63 | C40 | H64 | 109.4° | 109.4° |
| H65 | C40 | H64 | 109.5° | 109.5° |
| H66 | C41 | H67 | 109.4° | 109.5° |
| H68 | C42 | H70 | 109.5° | 109.6° |
| H68 | C42 | H69 | 109.4° | 109.5° |
| H70 | C42 | H69 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | C15 | 162.0° | 180.0° |
| N1 | C2 | C3 | H44 | 119.1° | 119.2° |
| N1 | C2 | C3 | H43 | 119.1° | 119.3° |
| N1 | C2 | C3 | C4 | 19.7° | 27.3° |
| N1 | C2 | C3 | C6 | 77.1° | 65.7° |
| C2 | N1 | C5 | C4 | 20.9° | 1.2° |
| C2 | N1 | C15 | O16 | 1.9° | 5.7° |
| C2 | N1 | C15 | C28 | 177.5° | 174.3° |
| N1 | C2 | H44 | H43 | 122.6° | 121.4° |
| N1 | C2 | C3 | H12 | 144.8° | 155.8° |
| C2 | N1 | C5 | H45 | 98.5° | 118.4° |
| C2 | N1 | C5 | H46 | 140.4° | 120.9° |
| C5 | N1 | C2 | C3 | 25.8° | 18.1° |
| N1 | C5 | C4 | C3 | 7.3° | 15.9° |
| N1 | C5 | C4 | H45 | 119.5° | 119.6° |
| N1 | C5 | C4 | H46 | 119.5° | 119.7° |
| N1 | C5 | C4 | C7 | 92.5° | 108.9° |
| C5 | N1 | C15 | O16 | 158.0° | 174.3° |
| C5 | N1 | C15 | C28 | 22.6° | 5.7° |
| C5 | N1 | C2 | H44 | 144.9° | 137.4° |
| C5 | N1 | C2 | H43 | 93.3° | 101.2° |
| N1 | C5 | C4 | H11 | 134.3° | 113.2° |
| N1 | C5 | H45 | H46 | 121.6° | 120.7° |
| C15 | N1 | C2 | C3 | 172.1° | 161.9° |
| C15 | N1 | C5 | C4 | 177.1° | 178.8° |
| N1 | C15 | O16 | C28 | 179.4° | 180.0° |
| N1 | C15 | C28 | C29 | 114.4° | 41.9° |
| N1 | C15 | C28 | C30 | 66.1° | 138.4° |
| C15 | N1 | C2 | H44 | 53.0° | 42.6° |
| C15 | N1 | C2 | H43 | 68.8° | 78.8° |
| C15 | N1 | C5 | H45 | 63.4° | 61.6° |
| C15 | N1 | C5 | H46 | 57.6° | 59.1° |
| C2 | C3 | C4 | C6 | 119.6° | 113.8° |
| C2 | C3 | C4 | H12 | 125.4° | 127.6° |
| C2 | C3 | C6 | H12 | 138.2° | 137.7° |
| C2 | C3 | C4 | C5 | 8.1° | 25.9° |
| C2 | C3 | C4 | C7 | 122.5° | 139.1° |
| C2 | C3 | C6 | C7 | 109.8° | 128.9° |
| C2 | C3 | C6 | C8 | 141.3° | 126.5° |
| C3 | C2 | H44 | H43 | 122.6° | 121.4° |
| C2 | C3 | C4 | H11 | 119.3° | 102.3° |
| C2 | C3 | C6 | H14 | 5.4° | 10.9° |
| C4 | C3 | C6 | H12 | 114.8° | 118.5° |
| C3 | C4 | C5 | C7 | 99.8° | 93.1° |
| C3 | C4 | C5 | H11 | 127.0° | 129.1° |
| C3 | C4 | C7 | H11 | 117.4° | 118.4° |
| C4 | C3 | C6 | C7 | 2.8° | 25.1° |
| C4 | C3 | C6 | C8 | 111.7° | 129.7° |
| C3 | C4 | C7 | C10 | 105.4° | 78.5° |
| C4 | C3 | C2 | H44 | 138.8° | 146.5° |
| C4 | C3 | C2 | H43 | 99.4° | 92.1° |
| C3 | C4 | C5 | H45 | 112.2° | 135.4° |
| C3 | C4 | C5 | H46 | 126.7° | 103.8° |
| C4 | C3 | C6 | H14 | 112.4° | 92.9° |
| C3 | C4 | C7 | H13 | 119.3° | 144.5° |
| C6 | C3 | C4 | C5 | 111.6° | 87.9° |
| C3 | C6 | C7 | C8 | 118.6° | 114.0° |
| C3 | C6 | C7 | H14 | 115.4° | 117.5° |
| C3 | C6 | C8 | H14 | 135.6° | 137.5° |
| C3 | C6 | C7 | C10 | 111.6° | 87.8° |
| C3 | C6 | C8 | N9 | 77.7° | 77.3° |
| C6 | C3 | C2 | H44 | 42.0° | 53.5° |
| C6 | C3 | C2 | H43 | 163.8° | 174.9° |
| C6 | C3 | C4 | H11 | 121.1° | 143.9° |
| C3 | C6 | C7 | H13 | 120.3° | 143.6° |
| C3 | C6 | C8 | H48 | 163.3° | 163.1° |
| C3 | C6 | C8 | H47 | 41.3° | 42.3° |
| C5 | C4 | C7 | H11 | 133.1° | 137.1° |
| C5 | C4 | C7 | C6 | 106.6° | 79.5° |
| C5 | C4 | C7 | C10 | 145.1° | 176.9° |
| C5 | C4 | C3 | H12 | 133.5° | 153.4° |
| C4 | C5 | H45 | H46 | 121.6° | 120.8° |
| C5 | C4 | C7 | H13 | 9.8° | 40.0° |
| C4 | C7 | C6 | C10 | 114.5° | 113.1° |
| C4 | C7 | C6 | H13 | 117.4° | 118.3° |
| C4 | C7 | C6 | C8 | 121.5° | 139.3° |
| C4 | C7 | C10 | H13 | 135.4° | 137.4° |
| C4 | C7 | C10 | N9 | 86.3° | 120.2° |
| C4 | C7 | C10 | H49 | 32.7° | 0.8° |
| C4 | C7 | C10 | H50 | 154.6° | 120.5° |
| C7 | C4 | C3 | H12 | 112.0° | 93.3° |
| C7 | C4 | C5 | H45 | 148.0° | 131.5° |
| C7 | C4 | C5 | H46 | 27.0° | 10.7° |
| C4 | C7 | C6 | H14 | 112.5° | 92.3° |
| C7 | C6 | C8 | H14 | 125.3° | 129.0° |
| C6 | C7 | C10 | H13 | 127.6° | 130.0° |
| C7 | C6 | C8 | N9 | 21.4° | 16.2° |
| C6 | C7 | C10 | N9 | 10.7° | 27.6° |
| C6 | C7 | C10 | H49 | 129.7° | 91.8° |
| C6 | C7 | C10 | H50 | 108.4° | 146.9° |
| C7 | C6 | C3 | H12 | 112.0° | 93.4° |
| C6 | C7 | C4 | H11 | 120.3° | 143.4° |
| C7 | C6 | C8 | H48 | 97.6° | 103.5° |
| C7 | C6 | C8 | H47 | 140.4° | 135.8° |
| C8 | C6 | C7 | C10 | 7.0° | 26.2° |
| C6 | C8 | N9 | H48 | 119.0° | 119.7° |
| C6 | C8 | N9 | H47 | 119.0° | 119.6° |
| C6 | C8 | N9 | C10 | 30.2° | 1.1° |
| C6 | C8 | N9 | C17 | 152.3° | 179.0° |
| C8 | C6 | C3 | H12 | 3.2° | 11.2° |
| C8 | C6 | C7 | H13 | 121.1° | 102.4° |
| C6 | C8 | H48 | H47 | 122.9° | 120.8° |
| C7 | C10 | N9 | C8 | 25.7° | 18.2° |
| C7 | C10 | N9 | H49 | 119.1° | 119.4° |
| C7 | C10 | N9 | H50 | 119.1° | 119.3° |
| C7 | C10 | N9 | C17 | 157.0° | 161.9° |
| C7 | C10 | H49 | H50 | 122.7° | 121.3° |
| C10 | C7 | C4 | H11 | 12.0° | 39.9° |
| C10 | C7 | C6 | H14 | 132.9° | 154.7° |
| C8 | N9 | C10 | C17 | 177.3° | 179.9° |
| C8 | N9 | C17 | C18 | 179.2° | 175.1° |
| C8 | N9 | C17 | O19 | 3.8° | 4.9° |
| C8 | N9 | C10 | H49 | 144.8° | 101.2° |
| C8 | N9 | C10 | H50 | 93.4° | 137.5° |
| N9 | C8 | C6 | H14 | 146.7° | 145.2° |
| N9 | C8 | H48 | H47 | 122.9° | 120.7° |
| C10 | N9 | C17 | C18 | 3.7° | 4.8° |
| C10 | N9 | C17 | O19 | 179.1° | 175.2° |
| N9 | C10 | H49 | H50 | 122.6° | 121.4° |
| N9 | C10 | C7 | H13 | 138.3° | 102.4° |
| C10 | N9 | C8 | H48 | 88.8° | 120.8° |
| C10 | N9 | C8 | H47 | 149.1° | 118.5° |
| N9 | C17 | C18 | O19 | 175.5° | 180.0° |
| N9 | C17 | C18 | C20 | 75.3° | 155.2° |
| N9 | C17 | C18 | C22 | 104.2° | 25.1° |
| C17 | N9 | C10 | H49 | 37.9° | 78.7° |
| C17 | N9 | C10 | H50 | 83.9° | 42.6° |
| C17 | N9 | C8 | H48 | 88.7° | 59.3° |
| C17 | N9 | C8 | H47 | 33.3° | 61.5° |
| O16 | C15 | C28 | C29 | 66.2° | 138.1° |
| O16 | C15 | C28 | C30 | 113.3° | 41.7° |
| C15 | C28 | C29 | C30 | 179.5° | 179.7° |
| C15 | C28 | C29 | C35 | 179.8° | 180.0° |
| C15 | C28 | C30 | C31 | 179.6° | 180.0° |
| C15 | C28 | C29 | H55 | 0.3° | 0.0° |
| C15 | C28 | C30 | H56 | 0.3° | 0.0° |
| C17 | C18 | C20 | C22 | 179.5° | 179.7° |
| C17 | C18 | C20 | C21 | 177.7° | 180.0° |
| C17 | C18 | C22 | C23 | 178.2° | 180.0° |
| C17 | C18 | C20 | H51 | 2.2° | 0.0° |
| C17 | C18 | C22 | H53 | 1.8° | 0.0° |
| O19 | C17 | C18 | C20 | 100.2° | 24.8° |
| O19 | C17 | C18 | C22 | 80.3° | 154.9° |
| C18 | C20 | C21 | H51 | 180.0° | 180.0° |
| C18 | C20 | C21 | C24 | 0.1° | 0.1° |
| C20 | C18 | C22 | C23 | 1.2° | 0.3° |
| C18 | C20 | C21 | H52 | 180.0° | 180.0° |
| C20 | C18 | C22 | H53 | 178.8° | 179.7° |
| C22 | C18 | C20 | C21 | 1.8° | 0.3° |
| C18 | C22 | C23 | H53 | 180.0° | 180.0° |
| C18 | C22 | C23 | C24 | 1.0° | 0.0° |
| C18 | C22 | C23 | N27 | 179.9° | 180.0° |
| C22 | C18 | C20 | H51 | 178.2° | 179.7° |
| C20 | C21 | C24 | H52 | 180.0° | 179.9° |
| C20 | C21 | C24 | C23 | 2.4° | 0.2° |
| C20 | C21 | C24 | N25 | 177.0° | 180.0° |
| C21 | C24 | C23 | C22 | 2.9° | 0.2° |
| C21 | C24 | C23 | N25 | 179.6° | 179.8° |
| C21 | C24 | C23 | N27 | 177.8° | 179.7° |
| C21 | C24 | N25 | N26 | 178.3° | 180.0° |
| C24 | C21 | C20 | H51 | 179.9° | 180.0° |
| C21 | C24 | N25 | H54 | 1.7° | 0.0° |
| C22 | C23 | C24 | N27 | 179.3° | 180.0° |
| C22 | C23 | C24 | N25 | 176.7° | 179.9° |
| C22 | C23 | N27 | N26 | 176.9° | 179.6° |
| C23 | C24 | N25 | N26 | 2.2° | 0.2° |
| C24 | C23 | N27 | N26 | 2.2° | 0.4° |
| C23 | C24 | C21 | H52 | 177.6° | 179.7° |
| C24 | C23 | C22 | H53 | 179.0° | 180.0° |
| C23 | C24 | N25 | H54 | 177.8° | 179.8° |
| N27 | C23 | C24 | N25 | 2.6° | 0.1° |
| C23 | N27 | N26 | N25 | 0.9° | 0.6° |
| N27 | C23 | C22 | H53 | 0.1° | 0.0° |
| C24 | N25 | N26 | H54 | 180.0° | 180.0° |
| C24 | N25 | N26 | N27 | 0.8° | 0.5° |
| N25 | C24 | C21 | H52 | 3.0° | 0.1° |
| N27 | N26 | N25 | H54 | 179.2° | 179.5° |
| C28 | C29 | C35 | H55 | 180.0° | 180.0° |
| C29 | C28 | C30 | C31 | 0.2° | 0.3° |
| C28 | C29 | C35 | C34 | 0.4° | 0.0° |
| C28 | C29 | C35 | N36 | 179.9° | 180.0° |
| C29 | C28 | C30 | H56 | 179.8° | 179.7° |
| C30 | C28 | C29 | C35 | 0.7° | 0.3° |
| C28 | C30 | C31 | H56 | 180.0° | 180.0° |
| C28 | C30 | C31 | C34 | 0.8° | 0.1° |
| C28 | C30 | C31 | O32 | 170.9° | 180.0° |
| C30 | C28 | C29 | H55 | 179.2° | 179.7° |
| C29 | C35 | C34 | C31 | 0.5° | 0.2° |
| C29 | C35 | C34 | N36 | 179.6° | 180.0° |
| C29 | C35 | C34 | C38 | 179.6° | 179.9° |
| C29 | C35 | N36 | C37 | 179.5° | 180.0° |
| C29 | C35 | N36 | C41 | 2.7° | 0.1° |
| C30 | C31 | C34 | O32 | 173.0° | 179.9° |
| C30 | C31 | O32 | C33 | 5.0° | 3.6° |
| C30 | C31 | C34 | C35 | 1.1° | 0.2° |
| C30 | C31 | C34 | C38 | 179.0° | 180.0° |
| C34 | C31 | O32 | C33 | 167.3° | 176.5° |
| C31 | C34 | C35 | C38 | 179.9° | 179.9° |
| C31 | C34 | C35 | N36 | 179.0° | 179.8° |
| C31 | C34 | C38 | C37 | 179.5° | 179.7° |
| C34 | C31 | C30 | H56 | 179.2° | 180.0° |
| C31 | C34 | C38 | H59 | 0.5° | 0.1° |
| C31 | O32 | C33 | C39 | 106.6° | 92.1° |
| C31 | O32 | C33 | C40 | 133.3° | 147.9° |
| O32 | C31 | C34 | C35 | 171.9° | 179.8° |
| O32 | C31 | C34 | C38 | 8.0° | 0.1° |
| O32 | C31 | C30 | H56 | 9.1° | 0.0° |
| C31 | O32 | C33 | H57 | 9.7° | 27.9° |
| O32 | C33 | C39 | C40 | 115.9° | 119.9° |
| O32 | C33 | C39 | H57 | 117.6° | 120.1° |
| O32 | C33 | C40 | H57 | 124.8° | 120.0° |
| O32 | C33 | C39 | H60 | 180.0° | 179.9° |
| O32 | C33 | C39 | H62 | 60.0° | 60.0° |
| O32 | C33 | C39 | H61 | 60.0° | 60.0° |
| O32 | C33 | C40 | H63 | 180.0° | 60.0° |
| O32 | C33 | C40 | H65 | 60.0° | 180.0° |
| O32 | C33 | C40 | H64 | 60.0° | 60.0° |
| C39 | C33 | C40 | H57 | 126.8° | 120.0° |
| C33 | C39 | H60 | H62 | 120.0° | 120.0° |
| C33 | C39 | H60 | H61 | 120.0° | 120.0° |
| C33 | C39 | H62 | H61 | 120.0° | 120.0° |
| C39 | C33 | C40 | H63 | 71.6° | 180.0° |
| C39 | C33 | C40 | H65 | 48.4° | 60.0° |
| C39 | C33 | C40 | H64 | 168.4° | 60.0° |
| C40 | C33 | C39 | H60 | 64.1° | 60.0° |
| C40 | C33 | C39 | H62 | 175.9° | 180.0° |
| C40 | C33 | C39 | H61 | 55.9° | 60.0° |
| C33 | C40 | H63 | H65 | 120.0° | 119.9° |
| C33 | C40 | H63 | H64 | 120.0° | 120.0° |
| C33 | C40 | H65 | H64 | 120.0° | 120.0° |
| C34 | C35 | N36 | C37 | 1.0° | 0.1° |
| C34 | C35 | N36 | C41 | 176.9° | 180.0° |
| C35 | C34 | C38 | C37 | 0.4° | 0.1° |
| C34 | C35 | C29 | H55 | 179.6° | 180.0° |
| C35 | C34 | C38 | H59 | 179.7° | 179.8° |
| C38 | C34 | C35 | N36 | 0.9° | 0.1° |
| C34 | C38 | C37 | N36 | 0.2° | 0.1° |
| C34 | C38 | C37 | H59 | 180.0° | 179.6° |
| C34 | C38 | C37 | H58 | 179.7° | 180.0° |
| C35 | N36 | C37 | C41 | 177.7° | 179.9° |
| C35 | N36 | C37 | C38 | 0.8° | 0.0° |
| C35 | N36 | C41 | C42 | 170.0° | 85.1° |
| N36 | C35 | C29 | H55 | 0.1° | 0.0° |
| C35 | N36 | C37 | H58 | 179.2° | 180.0° |
| C35 | N36 | C41 | H66 | 49.2° | 155.0° |
| C35 | N36 | C41 | H67 | 69.1° | 35.0° |
| N36 | C37 | C38 | H58 | 180.0° | 180.0° |
| C37 | N36 | C41 | C42 | 12.5° | 95.0° |
| N36 | C37 | C38 | H59 | 179.7° | 179.7° |
| C37 | N36 | C41 | H66 | 133.4° | 24.9° |
| C37 | N36 | C41 | H67 | 108.3° | 144.9° |
| C41 | N36 | C37 | C38 | 177.0° | 179.9° |
| N36 | C41 | C42 | H66 | 120.9° | 119.9° |
| N36 | C41 | C42 | H67 | 120.9° | 120.0° |
| C41 | N36 | C37 | H58 | 3.1° | 0.1° |
| N36 | C41 | H66 | H67 | 117.4° | 120.0° |
| N36 | C41 | C42 | H68 | 180.0° | 60.1° |
| N36 | C41 | C42 | H70 | 60.0° | 60.0° |
| N36 | C41 | C42 | H69 | 60.0° | 180.0° |
| C42 | C41 | H66 | H67 | 117.4° | 120.1° |
| C41 | C42 | H68 | H70 | 120.0° | 120.1° |
| C41 | C42 | H68 | H69 | 120.0° | 119.9° |
| C41 | C42 | H70 | H69 | 120.0° | 119.9° |
| H49 | C10 | C7 | H13 | 102.6° | 138.2° |
| H50 | C10 | C7 | H13 | 19.2° | 16.9° |
| H51 | C20 | C21 | H52 | 0.1° | 0.0° |
| H44 | C2 | C3 | H12 | 96.0° | 84.9° |
| H43 | C2 | C3 | H12 | 25.7° | 36.5° |
| H12 | C3 | C4 | H11 | 6.1° | 25.3° |
| H12 | C3 | C6 | H14 | 132.8° | 148.5° |
| H11 | C4 | C5 | H45 | 14.8° | 6.4° |
| H11 | C4 | C5 | H46 | 106.3° | 127.1° |
| H11 | C4 | C7 | H13 | 123.3° | 97.1° |
| H14 | C6 | C7 | H13 | 4.8° | 26.1° |
| H14 | C6 | C8 | H48 | 27.7° | 25.6° |
| H14 | C6 | C8 | H47 | 94.3° | 95.2° |
| H57 | C33 | C39 | H60 | 62.4° | 60.0° |
| H57 | C33 | C39 | H62 | 57.7° | 60.0° |
| H57 | C33 | C39 | H61 | 177.6° | 180.0° |
| H57 | C33 | C40 | H63 | 55.2° | 60.0° |
| H57 | C33 | C40 | H65 | 175.2° | 60.0° |
| H57 | C33 | C40 | H64 | 64.8° | 180.0° |
| H58 | C37 | C38 | H59 | 0.3° | 0.3° |
| H60 | C39 | H62 | H61 | 120.0° | 120.0° |
| H63 | C40 | H65 | H64 | 120.0° | 120.0° |
| H66 | C41 | C42 | H68 | 59.1° | 180.0° |
| H66 | C41 | C42 | H70 | 179.1° | 59.9° |
| H66 | C41 | C42 | H69 | 60.8° | 60.1° |
| H67 | C41 | C42 | H68 | 59.1° | 60.0° |
| H67 | C41 | C42 | H70 | 60.9° | 179.9° |
| H67 | C41 | C42 | H69 | 179.1° | 60.0° |
| H68 | C42 | H70 | H69 | 120.0° | 120.0° |
