Y40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | C15 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C3 | C4 | sing | 1.55Å | 1.56Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | C7 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.55Å | 1.55Å | |
| C6 | C8 | sing | 1.54Å | 1.55Å | |
| C7 | C10 | sing | 1.54Å | 1.52Å | |
| C8 | N9 | sing | 1.47Å | 1.49Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| N9 | C17 | sing | 1.35Å | 1.36Å | |
| C15 | O16 | doub | 1.21Å | 1.21Å | |
| C15 | C28 | sing | 1.48Å | 1.51Å | |
| C17 | C18 | sing | 1.48Å | 1.49Å | |
| C17 | O19 | doub | 1.22Å | 1.22Å | |
| C18 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C21 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.41Å | Aromatic |
| C23 | N27 | sing | 1.35Å | 1.37Å | Aromatic |
| C24 | N25 | sing | 1.37Å | 1.38Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.40Å | Aromatic |
| N26 | N27 | doub | 1.29Å | 1.29Å | Aromatic |
| C28 | N29 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| N29 | C33 | sing | 1.33Å | 1.37Å | Aromatic |
| C30 | C32 | sing | 1.41Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | O38 | sing | 1.36Å | 1.34Å | |
| C32 | C33 | doub | 1.42Å | 1.40Å | Aromatic |
| C32 | C37 | sing | 1.40Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| O38 | C39 | sing | 1.43Å | 1.44Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C40 | O41 | sing | 1.43Å | 1.43Å | |
| O41 | C42 | sing | 1.43Å | 1.41Å | |
| 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 | |
| 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 | |
| N25 | H54 | sing | 0.97Å | 1.00Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C34 | H56 | sing | 1.08Å | 1.08Å | |
| C35 | H57 | sing | 1.08Å | 1.08Å | |
| C36 | H58 | sing | 1.08Å | 1.08Å | |
| C37 | H59 | sing | 1.08Å | 1.08Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 110.3° | 109.4° |
| C2 | N1 | C15 | 126.4° | 125.3° |
| N1 | C2 | C3 | 106.6° | 106.7° |
| N1 | C2 | H44 | 110.2° | 110.0° |
| N1 | C2 | H43 | 110.2° | 110.0° |
| C5 | N1 | C15 | 123.1° | 125.3° |
| N1 | C5 | C4 | 106.2° | 108.0° |
| N1 | C5 | H45 | 110.3° | 109.8° |
| N1 | C5 | H46 | 110.3° | 109.8° |
| N1 | C15 | O16 | 118.4° | 120.0° |
| N1 | C15 | C28 | 123.8° | 120.0° |
| C2 | C3 | C4 | 102.2° | 103.7° |
| C2 | C3 | C6 | 117.5° | 113.8° |
| C3 | C2 | H44 | 110.2° | 110.0° |
| C3 | C2 | H43 | 110.2° | 110.0° |
| C2 | C3 | H12 | 114.9° | 115.0° |
| C4 | C3 | C6 | 88.8° | 87.2° |
| C3 | C4 | C5 | 108.6° | 104.5° |
| C3 | C4 | C7 | 90.1° | 87.1° |
| C4 | C3 | H12 | 114.7° | 116.6° |
| C3 | C4 | H11 | 115.8° | 116.6° |
| C3 | C6 | C7 | 90.2° | 87.2° |
| C3 | C6 | C8 | 115.3° | 113.8° |
| C6 | C3 | H12 | 115.0° | 116.8° |
| C3 | C6 | H14 | 115.1° | 116.0° |
| C5 | C4 | C7 | 106.4° | 113.2° |
| C5 | C4 | H11 | 116.4° | 115.0° |
| C4 | C5 | H45 | 110.3° | 109.8° |
| C4 | C5 | H46 | 110.3° | 109.7° |
| C4 | C7 | C6 | 89.4° | 87.0° |
| C4 | C7 | C10 | 109.2° | 113.2° |
| C7 | C4 | H11 | 116.3° | 116.8° |
| C4 | C7 | H13 | 116.0° | 116.0° |
| C7 | C6 | C8 | 103.3° | 103.7° |
| C6 | C7 | C10 | 107.0° | 104.5° |
| C7 | C6 | H14 | 114.9° | 116.6° |
| C6 | C7 | H13 | 115.6° | 116.6° |
| C6 | C8 | N9 | 100.3° | 106.7° |
| C8 | C6 | H14 | 114.9° | 115.6° |
| C6 | C8 | H48 | 111.7° | 110.0° |
| C6 | C8 | H47 | 111.7° | 110.0° |
| C7 | C10 | N9 | 103.8° | 107.9° |
| C10 | C7 | H13 | 116.3° | 115.7° |
| C7 | C10 | H49 | 110.9° | 109.8° |
| C7 | C10 | H50 | 110.8° | 109.7° |
| C8 | N9 | C10 | 107.9° | 109.4° |
| C8 | N9 | C17 | 125.9° | 125.3° |
| N9 | C8 | H48 | 111.7° | 110.0° |
| N9 | C8 | H47 | 111.7° | 110.0° |
| C10 | N9 | C17 | 126.2° | 125.3° |
| N9 | C10 | H49 | 110.9° | 109.8° |
| N9 | C10 | H50 | 110.9° | 109.8° |
| N9 | C17 | C18 | 118.5° | 120.0° |
| N9 | C17 | O19 | 119.8° | 120.0° |
| O16 | C15 | C28 | 117.6° | 120.0° |
| C15 | C28 | N29 | 116.0° | 119.2° |
| C15 | C28 | C31 | 122.9° | 119.2° |
| C18 | C17 | O19 | 121.7° | 120.0° |
| C17 | C18 | C20 | 116.8° | 119.9° |
| C17 | C18 | C22 | 121.3° | 119.9° |
| C20 | C18 | C22 | 121.9° | 120.3° |
| C18 | C20 | C21 | 119.7° | 120.4° |
| C18 | C20 | H51 | 120.2° | 119.8° |
| C18 | C22 | C23 | 117.8° | 119.6° |
| C18 | C22 | H53 | 121.1° | 120.2° |
| C20 | C21 | C24 | 120.0° | 120.2° |
| C21 | C20 | H51 | 120.1° | 119.8° |
| C20 | C21 | H52 | 120.0° | 119.9° |
| C21 | C24 | C23 | 121.2° | 120.2° |
| C21 | C24 | N25 | 131.3° | 133.7° |
| C24 | C21 | H52 | 120.0° | 119.9° |
| C22 | C23 | C24 | 119.3° | 119.4° |
| C22 | C23 | N27 | 133.6° | 133.1° |
| C23 | C22 | H53 | 121.1° | 120.1° |
| C24 | C23 | N27 | 107.0° | 107.6° |
| C23 | C24 | N25 | 107.4° | 106.1° |
| C23 | N27 | N26 | 108.9° | 110.2° |
| C24 | N25 | N26 | 105.2° | 106.7° |
| C24 | N25 | H54 | 127.4° | 126.7° |
| N25 | N26 | N27 | 111.4° | 109.5° |
| N26 | N25 | H54 | 127.4° | 126.7° |
| N29 | C28 | C31 | 120.7° | 121.6° |
| C28 | N29 | C33 | 121.9° | 121.6° |
| C28 | C31 | C30 | 118.3° | 119.6° |
| C28 | C31 | H55 | 120.9° | 120.3° |
| N29 | C33 | C32 | 119.7° | 120.1° |
| N29 | C33 | C34 | 122.3° | 120.9° |
| C32 | C30 | C31 | 120.5° | 118.0° |
| C32 | C30 | O38 | 116.3° | 121.1° |
| C30 | C32 | C33 | 118.8° | 119.1° |
| C30 | C32 | C37 | 118.9° | 121.2° |
| C31 | C30 | O38 | 123.1° | 120.9° |
| C30 | C31 | H55 | 120.9° | 120.2° |
| C30 | O38 | C39 | 110.1° | 117.1° |
| C33 | C32 | C37 | 122.3° | 119.7° |
| C32 | C33 | C34 | 118.1° | 119.0° |
| C32 | C37 | C36 | 118.8° | 119.6° |
| C32 | C37 | H59 | 120.6° | 120.2° |
| C33 | C34 | C35 | 119.0° | 119.8° |
| C33 | C34 | H56 | 120.5° | 120.1° |
| C34 | C35 | C36 | 122.3° | 121.1° |
| C35 | C34 | H56 | 120.5° | 120.1° |
| C34 | C35 | H57 | 118.9° | 119.5° |
| C35 | C36 | C37 | 119.5° | 120.9° |
| C36 | C35 | H57 | 118.9° | 119.5° |
| C35 | C36 | H58 | 120.2° | 119.5° |
| C37 | C36 | H58 | 120.2° | 119.6° |
| C36 | C37 | H59 | 120.6° | 120.2° |
| O38 | C39 | C40 | 106.7° | 109.5° |
| O38 | C39 | H61 | 110.2° | 109.4° |
| O38 | C39 | H60 | 110.2° | 109.4° |
| C39 | C40 | O41 | 115.1° | 109.5° |
| C40 | C39 | H61 | 110.2° | 109.5° |
| C40 | C39 | H60 | 110.2° | 109.5° |
| C39 | C40 | H62 | 108.0° | 109.4° |
| C39 | C40 | H63 | 108.0° | 109.4° |
| C40 | O41 | C42 | 118.6° | 114.0° |
| O41 | C40 | H62 | 108.1° | 109.5° |
| O41 | C40 | H63 | 108.1° | 109.5° |
| O41 | C42 | H64 | 109.5° | 109.5° |
| O41 | C42 | H66 | 109.5° | 109.5° |
| O41 | C42 | H65 | 109.5° | 109.5° |
| H44 | C2 | H43 | 109.5° | 110.0° |
| H45 | C5 | H46 | 109.4° | 109.8° |
| H48 | C8 | H47 | 109.5° | 110.0° |
| H49 | C10 | H50 | 109.5° | 109.8° |
| H61 | C39 | H60 | 109.5° | 109.5° |
| H62 | C40 | H63 | 109.5° | 109.5° |
| H64 | C42 | H66 | 109.4° | 109.4° |
| H64 | C42 | H65 | 109.5° | 109.5° |
| H66 | C42 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | C15 | 175.5° | 179.7° |
| N1 | C2 | C3 | H44 | 119.5° | 119.4° |
| N1 | C2 | C3 | H43 | 119.5° | 119.3° |
| N1 | C2 | C3 | C4 | 24.7° | 27.4° |
| N1 | C2 | C3 | C6 | 70.5° | 65.6° |
| C2 | N1 | C5 | C4 | 8.7° | 1.2° |
| C2 | N1 | C15 | O16 | 2.9° | 0.0° |
| C2 | N1 | C15 | C28 | 177.7° | 180.0° |
| N1 | C2 | H44 | H43 | 121.4° | 121.3° |
| N1 | C2 | C3 | H12 | 149.5° | 155.9° |
| C2 | N1 | C5 | H45 | 110.8° | 118.4° |
| C2 | N1 | C5 | H46 | 128.2° | 120.8° |
| C5 | N1 | C2 | C3 | 21.8° | 18.1° |
| N1 | C5 | C4 | C3 | 7.6° | 15.9° |
| N1 | C5 | C4 | H45 | 119.5° | 119.7° |
| N1 | C5 | C4 | H46 | 119.5° | 119.6° |
| N1 | C5 | C4 | C7 | 103.4° | 109.0° |
| C5 | N1 | C15 | O16 | 177.7° | 179.6° |
| C5 | N1 | C15 | C28 | 7.6° | 0.3° |
| C5 | N1 | C2 | H44 | 141.3° | 137.5° |
| C5 | N1 | C2 | H43 | 97.8° | 101.2° |
| N1 | C5 | C4 | H11 | 125.2° | 113.2° |
| N1 | C5 | H45 | H46 | 121.5° | 120.8° |
| C15 | N1 | C2 | C3 | 162.9° | 162.2° |
| C15 | N1 | C5 | C4 | 175.7° | 179.1° |
| N1 | C15 | O16 | C28 | 175.1° | 179.9° |
| N1 | C15 | C28 | N29 | 66.2° | 0.1° |
| N1 | C15 | C28 | C31 | 121.0° | 179.7° |
| C15 | N1 | C2 | H44 | 43.4° | 42.8° |
| C15 | N1 | C2 | H43 | 77.6° | 78.5° |
| C15 | N1 | C5 | H45 | 64.8° | 61.3° |
| C15 | N1 | C5 | H46 | 56.2° | 59.5° |
| C2 | C3 | C4 | C6 | 117.9° | 113.8° |
| C2 | C3 | C4 | H12 | 125.0° | 127.5° |
| C2 | C3 | C6 | H12 | 140.0° | 137.7° |
| C2 | C3 | C4 | C5 | 19.8° | 26.0° |
| C2 | C3 | C4 | C7 | 127.2° | 139.2° |
| C2 | C3 | C6 | C7 | 112.3° | 129.0° |
| C2 | C3 | C6 | C8 | 142.9° | 127.2° |
| C3 | C2 | H44 | H43 | 121.3° | 121.4° |
| C2 | C3 | C4 | H11 | 113.2° | 102.2° |
| C2 | C3 | C6 | H14 | 5.5° | 10.6° |
| C4 | C3 | C6 | H12 | 116.8° | 118.5° |
| C3 | C4 | C5 | C7 | 95.8° | 93.1° |
| C3 | C4 | C5 | H11 | 132.7° | 129.1° |
| C3 | C4 | C7 | H11 | 119.1° | 118.5° |
| C4 | C3 | C6 | C7 | 9.1° | 25.2° |
| C4 | C3 | C6 | C8 | 113.9° | 129.0° |
| C3 | C4 | C7 | C10 | 98.6° | 79.3° |
| C4 | C3 | C2 | H44 | 144.2° | 146.7° |
| C4 | C3 | C2 | H43 | 94.9° | 91.9° |
| C3 | C4 | C5 | H45 | 127.1° | 135.6° |
| C3 | C4 | C5 | H46 | 112.0° | 103.6° |
| C4 | C3 | C6 | H14 | 108.7° | 93.2° |
| C3 | C4 | C7 | H13 | 127.6° | 143.4° |
| C6 | C3 | C4 | C5 | 98.1° | 87.9° |
| C3 | C6 | C7 | C8 | 116.1° | 113.8° |
| C3 | C6 | C7 | H14 | 118.0° | 117.8° |
| C3 | C6 | C8 | H14 | 137.5° | 137.9° |
| C3 | C6 | C7 | C10 | 100.6° | 87.8° |
| C3 | C6 | C8 | N9 | 62.3° | 65.7° |
| C6 | C3 | C2 | H44 | 49.1° | 53.7° |
| C6 | C3 | C2 | H43 | 170.0° | 175.1° |
| C6 | C3 | C4 | H11 | 128.8° | 144.0° |
| C3 | C6 | C7 | H13 | 128.1° | 143.1° |
| C3 | C6 | C8 | H48 | 179.2° | 175.1° |
| C3 | C6 | C8 | H47 | 56.2° | 53.6° |
| C5 | C4 | C7 | H11 | 131.5° | 137.0° |
| C5 | C4 | C7 | C6 | 100.3° | 79.4° |
| C5 | C4 | C7 | C10 | 152.0° | 176.2° |
| C5 | C4 | C3 | H12 | 144.8° | 153.5° |
| C4 | C5 | H45 | H46 | 121.5° | 120.7° |
| C5 | C4 | C7 | H13 | 18.2° | 38.9° |
| C4 | C7 | C6 | C10 | 109.9° | 113.2° |
| C4 | C7 | C6 | H13 | 118.8° | 117.7° |
| C4 | C7 | C6 | C8 | 125.4° | 139.2° |
| C4 | C7 | C10 | H13 | 133.7° | 137.4° |
| C4 | C7 | C10 | N9 | 85.3° | 109.0° |
| C7 | C4 | C3 | H12 | 107.9° | 93.3° |
| C7 | C4 | C5 | H45 | 137.1° | 131.4° |
| C7 | C4 | C5 | H46 | 16.1° | 10.6° |
| C4 | C7 | C6 | H14 | 108.7° | 92.4° |
| C4 | C7 | C10 | H49 | 33.8° | 10.6° |
| C4 | C7 | C10 | H50 | 155.6° | 131.4° |
| C7 | C6 | C8 | H14 | 125.9° | 129.0° |
| C6 | C7 | C10 | H13 | 130.9° | 129.6° |
| C7 | C6 | C8 | N9 | 34.3° | 27.4° |
| C6 | C7 | C10 | N9 | 10.1° | 16.0° |
| C7 | C6 | C3 | H12 | 107.7° | 93.3° |
| C6 | C7 | C4 | H11 | 128.3° | 143.6° |
| C7 | C6 | C8 | H48 | 84.2° | 91.9° |
| C7 | C6 | C8 | H47 | 152.8° | 146.7° |
| C6 | C7 | C10 | H49 | 129.2° | 103.6° |
| C6 | C7 | C10 | H50 | 109.0° | 135.6° |
| C8 | C6 | C7 | C10 | 15.5° | 26.0° |
| C6 | C8 | N9 | H48 | 118.5° | 119.3° |
| C6 | C8 | N9 | H47 | 118.5° | 119.3° |
| C6 | C8 | N9 | C10 | 43.4° | 18.1° |
| C6 | C8 | N9 | C17 | 137.9° | 161.9° |
| C8 | C6 | C3 | H12 | 2.9° | 10.5° |
| C8 | C6 | C7 | H13 | 115.9° | 103.0° |
| C6 | C8 | H48 | H47 | 124.3° | 121.4° |
| C7 | C10 | N9 | C8 | 34.0° | 1.1° |
| C7 | C10 | N9 | H49 | 119.1° | 119.6° |
| C7 | C10 | N9 | H50 | 119.1° | 119.6° |
| C7 | C10 | N9 | C17 | 147.2° | 178.9° |
| C10 | C7 | C4 | H11 | 20.5° | 39.1° |
| C10 | C7 | C6 | H14 | 141.4° | 154.4° |
| C7 | C10 | H49 | H50 | 122.6° | 120.7° |
| C8 | N9 | C10 | C17 | 178.8° | 180.0° |
| C8 | N9 | C17 | C18 | 179.6° | 175.1° |
| C8 | N9 | C17 | O19 | 0.4° | 4.9° |
| N9 | C8 | C6 | H14 | 160.3° | 156.4° |
| N9 | C8 | H48 | H47 | 124.3° | 121.3° |
| C8 | N9 | C10 | H49 | 153.1° | 120.8° |
| C8 | N9 | C10 | H50 | 85.1° | 118.4° |
| C10 | N9 | C17 | C18 | 1.9° | 4.8° |
| C10 | N9 | C17 | O19 | 178.9° | 175.1° |
| N9 | C10 | C7 | H13 | 141.0° | 113.6° |
| C10 | N9 | C8 | H48 | 75.1° | 101.2° |
| C10 | N9 | C8 | H47 | 161.9° | 137.4° |
| N9 | C10 | H49 | H50 | 122.6° | 120.8° |
| N9 | C17 | C18 | O19 | 179.2° | 180.0° |
| N9 | C17 | C18 | C20 | 78.0° | 43.0° |
| N9 | C17 | C18 | C22 | 98.5° | 137.4° |
| C17 | N9 | C8 | H48 | 103.6° | 78.8° |
| C17 | N9 | C8 | H47 | 19.4° | 42.6° |
| C17 | N9 | C10 | H49 | 28.2° | 59.2° |
| C17 | N9 | C10 | H50 | 93.7° | 61.6° |
| O16 | C15 | C28 | N29 | 108.5° | 180.0° |
| O16 | C15 | C28 | C31 | 64.2° | 0.2° |
| C15 | C28 | N29 | C31 | 172.9° | 179.8° |
| C15 | C28 | N29 | C33 | 178.0° | 180.0° |
| C15 | C28 | C31 | C30 | 178.1° | 180.0° |
| C15 | C28 | C31 | H55 | 1.9° | 0.0° |
| C17 | C18 | C20 | C22 | 176.5° | 179.7° |
| C17 | C18 | C20 | C21 | 179.9° | 180.0° |
| C17 | C18 | C22 | C23 | 179.9° | 180.0° |
| C17 | C18 | C20 | H51 | 0.1° | 0.0° |
| C17 | C18 | C22 | H53 | 0.1° | 0.0° |
| O19 | C17 | C18 | C20 | 101.2° | 137.0° |
| O19 | C17 | C18 | C22 | 82.3° | 42.7° |
| C18 | C20 | C21 | H51 | 180.0° | 179.9° |
| C18 | C20 | C21 | C24 | 2.9° | 0.0° |
| C20 | C18 | C22 | C23 | 3.8° | 0.3° |
| C18 | C20 | C21 | H52 | 177.1° | 179.9° |
| C20 | C18 | C22 | H53 | 176.2° | 179.7° |
| C22 | C18 | C20 | C21 | 3.6° | 0.4° |
| C18 | C22 | C23 | H53 | 180.0° | 180.0° |
| C18 | C22 | C23 | C24 | 3.3° | 0.0° |
| C18 | C22 | C23 | N27 | 179.7° | 179.9° |
| C22 | C18 | C20 | H51 | 176.4° | 179.7° |
| C20 | C21 | C24 | H52 | 180.0° | 180.0° |
| C20 | C21 | C24 | C23 | 2.5° | 0.3° |
| C20 | C21 | C24 | N25 | 177.9° | 180.0° |
| C21 | C24 | C23 | C22 | 2.7° | 0.3° |
| C21 | C24 | C23 | N25 | 179.7° | 179.8° |
| C21 | C24 | C23 | N27 | 180.0° | 179.8° |
| C21 | C24 | N25 | N26 | 179.8° | 180.0° |
| C24 | C21 | C20 | H51 | 177.1° | 180.0° |
| C21 | C24 | N25 | H54 | 0.3° | 0.1° |
| C22 | C23 | C24 | N27 | 177.3° | 179.9° |
| C22 | C23 | C24 | N25 | 177.6° | 179.9° |
| C22 | C23 | N27 | N26 | 177.1° | 179.6° |
| C23 | C24 | N25 | N26 | 0.1° | 0.3° |
| C24 | C23 | N27 | N26 | 0.4° | 0.3° |
| C23 | C24 | C21 | H52 | 177.5° | 179.7° |
| C24 | C23 | C22 | H53 | 176.7° | 180.0° |
| C23 | C24 | N25 | H54 | 179.9° | 179.8° |
| N27 | C23 | C24 | N25 | 0.3° | 0.0° |
| C23 | N27 | N26 | N25 | 0.3° | 0.5° |
| N27 | C23 | C22 | H53 | 0.3° | 0.1° |
| C24 | N25 | N26 | H54 | 180.0° | 179.9° |
| C24 | N25 | N26 | N27 | 0.1° | 0.5° |
| N25 | C24 | C21 | H52 | 2.1° | 0.0° |
| N27 | N26 | N25 | H54 | 179.9° | 179.6° |
| N29 | C28 | C31 | C30 | 5.7° | 0.2° |
| C28 | N29 | C33 | C32 | 2.5° | 0.1° |
| C28 | N29 | C33 | C34 | 179.4° | 180.0° |
| N29 | C28 | C31 | H55 | 174.3° | 179.8° |
| C31 | C28 | N29 | C33 | 5.1° | 0.2° |
| C28 | C31 | C30 | C32 | 3.8° | 0.0° |
| C28 | C31 | C30 | H55 | 180.0° | 180.0° |
| C28 | C31 | C30 | O38 | 177.1° | 179.8° |
| N29 | C33 | C32 | C30 | 0.6° | 0.3° |
| N29 | C33 | C32 | C34 | 178.2° | 179.9° |
| N29 | C33 | C32 | C37 | 178.7° | 180.0° |
| N29 | C33 | C34 | C35 | 179.2° | 179.9° |
| N29 | C33 | C34 | H56 | 0.8° | 0.0° |
| C32 | C30 | C31 | O38 | 179.1° | 179.8° |
| C30 | C32 | C33 | C37 | 179.3° | 179.7° |
| C30 | C32 | C33 | C34 | 178.8° | 179.8° |
| C30 | C32 | C37 | C36 | 179.2° | 179.8° |
| C32 | C30 | O38 | C39 | 160.3° | 180.0° |
| C32 | C30 | C31 | H55 | 176.2° | 180.0° |
| C30 | C32 | C37 | H59 | 0.8° | 0.0° |
| C31 | C30 | C32 | C33 | 1.4° | 0.2° |
| C31 | C30 | C32 | C37 | 177.9° | 180.0° |
| C31 | C30 | O38 | C39 | 20.5° | 0.2° |
| O38 | C30 | C32 | C33 | 179.5° | 180.0° |
| O38 | C30 | C32 | C37 | 1.2° | 0.3° |
| C30 | O38 | C39 | C40 | 164.8° | 180.0° |
| O38 | C30 | C31 | H55 | 2.9° | 0.2° |
| C30 | O38 | C39 | H61 | 75.7° | 60.0° |
| C30 | O38 | C39 | H60 | 45.2° | 60.0° |
| C32 | C33 | C34 | C35 | 1.1° | 0.0° |
| C33 | C32 | C37 | C36 | 1.5° | 0.0° |
| C32 | C33 | C34 | H56 | 179.0° | 180.0° |
| C33 | C32 | C37 | H59 | 178.5° | 179.7° |
| C37 | C32 | C33 | C34 | 0.5° | 0.0° |
| C32 | C37 | C36 | C35 | 2.8° | 0.0° |
| C32 | C37 | C36 | H59 | 180.0° | 179.8° |
| C32 | C37 | C36 | H58 | 177.2° | 179.9° |
| C33 | C34 | C35 | H56 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.1° |
| C33 | C34 | C35 | H57 | 179.7° | 180.0° |
| C34 | C35 | C36 | H57 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 2.3° | 0.1° |
| C34 | C35 | C36 | H58 | 177.7° | 180.0° |
| C35 | C36 | C37 | H58 | 180.0° | 179.9° |
| C36 | C35 | C34 | H56 | 179.7° | 180.0° |
| C35 | C36 | C37 | H59 | 177.1° | 179.8° |
| C37 | C36 | C35 | H57 | 177.7° | 180.0° |
| O38 | C39 | C40 | H61 | 119.6° | 120.0° |
| O38 | C39 | C40 | H60 | 119.6° | 120.0° |
| O38 | C39 | C40 | O41 | 74.8° | 65.0° |
| O38 | C39 | H61 | H60 | 121.3° | 119.9° |
| O38 | C39 | C40 | H62 | 164.4° | 175.0° |
| O38 | C39 | C40 | H63 | 46.0° | 55.0° |
| C39 | C40 | O41 | H62 | 120.8° | 120.0° |
| C39 | C40 | O41 | H63 | 120.8° | 119.9° |
| C39 | C40 | O41 | C42 | 1.5° | 180.0° |
| C40 | C39 | H61 | H60 | 121.3° | 120.1° |
| C39 | C40 | H62 | H63 | 117.4° | 120.0° |
| O41 | C40 | C39 | H61 | 44.7° | 55.0° |
| O41 | C40 | C39 | H60 | 165.6° | 175.0° |
| O41 | C40 | H62 | H63 | 117.5° | 120.0° |
| C40 | O41 | C42 | H64 | 180.0° | 179.9° |
| C40 | O41 | C42 | H66 | 60.0° | 60.0° |
| C40 | O41 | C42 | H65 | 60.0° | 60.0° |
| C42 | O41 | C40 | H62 | 119.3° | 60.0° |
| C42 | O41 | C40 | H63 | 122.3° | 60.1° |
| O41 | C42 | H64 | H66 | 120.0° | 120.0° |
| O41 | C42 | H64 | H65 | 120.0° | 120.1° |
| O41 | C42 | H66 | H65 | 120.0° | 120.0° |
| H44 | C2 | C3 | H12 | 91.0° | 84.7° |
| H43 | C2 | C3 | H12 | 29.9° | 36.6° |
| H12 | C3 | C4 | H11 | 11.7° | 25.3° |
| H12 | C3 | C6 | H14 | 134.5° | 148.3° |
| H11 | C4 | C5 | H45 | 5.7° | 6.5° |
| H11 | C4 | C5 | H46 | 115.3° | 127.2° |
| H11 | C4 | C7 | H13 | 113.3° | 98.1° |
| H14 | C6 | C7 | H13 | 10.0° | 25.4° |
| H14 | C6 | C8 | H48 | 41.8° | 37.1° |
| H14 | C6 | C8 | H47 | 81.3° | 84.3° |
| H13 | C7 | C10 | H49 | 99.8° | 126.8° |
| H13 | C7 | C10 | H50 | 21.9° | 6.0° |
| H51 | C20 | C21 | H52 | 2.9° | 0.0° |
| H56 | C34 | C35 | H57 | 0.3° | 0.0° |
| H57 | C35 | C36 | H58 | 2.3° | 0.0° |
| H58 | C36 | C37 | H59 | 2.8° | 0.3° |
| H61 | C39 | C40 | H62 | 76.1° | 65.0° |
| H61 | C39 | C40 | H63 | 165.6° | 175.0° |
| H60 | C39 | C40 | H62 | 44.8° | 55.0° |
| H60 | C39 | C40 | H63 | 73.6° | 65.0° |
| H64 | C42 | H66 | H65 | 120.0° | 120.0° |
