YPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.57Å | |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.57Å | |
| C6 | C8 | sing | 1.54Å | 1.53Å | |
| C8 | N9 | sing | 1.47Å | 1.46Å | |
| C7 | C10 | sing | 1.54Å | 1.53Å | |
| N9 | C10 | sing | 1.47Å | 1.45Å | |
| N1 | C15 | sing | 1.35Å | 1.38Å | |
| C15 | O16 | doub | 1.22Å | 1.25Å | |
| N9 | C17 | sing | 1.35Å | 1.40Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| C17 | O19 | doub | 1.22Å | 1.25Å | |
| C18 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.45Å | Aromatic |
| C24 | N25 | sing | 1.37Å | 1.40Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.35Å | Aromatic |
| C23 | N27 | sing | 1.35Å | 1.43Å | Aromatic |
| N26 | N27 | doub | 1.29Å | 1.27Å | Aromatic |
| C15 | C28 | sing | 1.48Å | 1.52Å | |
| C28 | N29 | doub | 1.34Å | 1.37Å | Aromatic |
| N29 | C30 | sing | 1.31Å | 1.33Å | Aromatic |
| C28 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.41Å | 1.43Å | Aromatic |
| C30 | C33 | doub | 1.41Å | 1.44Å | Aromatic |
| C32 | C33 | sing | 1.42Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
| C32 | C37 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.38Å | Aromatic |
| C30 | O38 | sing | 1.36Å | 1.38Å | |
| O38 | C39 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.53Å | 1.56Å | |
| C40 | F41 | sing | 1.40Å | 1.37Å | |
| C40 | F42 | sing | 1.40Å | 1.38Å | |
| C40 | F43 | sing | 1.40Å | 1.37Å | |
| C2 | H45 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H47 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| C20 | H52 | sing | 1.08Å | 1.08Å | |
| C21 | H53 | sing | 1.08Å | 1.08Å | |
| C22 | H54 | sing | 1.08Å | 1.08Å | |
| N25 | H55 | sing | 0.97Å | 1.00Å | |
| C31 | H56 | sing | 1.08Å | 1.08Å | |
| C34 | H57 | sing | 1.08Å | 1.08Å | |
| C35 | H58 | sing | 1.08Å | 1.08Å | |
| C36 | H59 | sing | 1.08Å | 1.08Å | |
| C37 | H60 | sing | 1.08Å | 1.08Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C3 | 105.8° | 106.7° |
| C2 | N1 | C5 | 112.1° | 109.4° |
| C2 | N1 | C15 | 124.2° | 125.3° |
| N1 | C2 | H45 | 110.4° | 110.1° |
| N1 | C2 | H44 | 110.3° | 110.0° |
| C2 | C3 | C4 | 106.0° | 103.7° |
| C2 | C3 | C6 | 116.2° | 113.8° |
| C3 | C2 | H45 | 110.4° | 110.0° |
| C3 | C2 | H44 | 110.4° | 110.0° |
| C2 | C3 | H12 | 114.3° | 115.0° |
| C3 | C4 | C5 | 105.9° | 104.5° |
| C4 | C3 | C6 | 89.6° | 87.2° |
| C3 | C4 | C7 | 90.5° | 87.0° |
| C4 | C3 | H12 | 113.7° | 116.6° |
| C3 | C4 | H11 | 114.3° | 116.6° |
| N1 | C5 | C4 | 105.9° | 108.0° |
| C5 | N1 | C15 | 123.7° | 125.3° |
| N1 | C5 | H46 | 110.4° | 109.8° |
| N1 | C5 | H47 | 110.4° | 109.8° |
| C5 | C4 | C7 | 113.5° | 113.2° |
| C5 | C4 | H11 | 115.0° | 115.0° |
| C4 | C5 | H46 | 110.4° | 109.7° |
| C4 | C5 | H47 | 110.4° | 109.8° |
| C3 | C6 | C7 | 90.3° | 87.2° |
| C3 | C6 | C8 | 115.9° | 113.8° |
| C6 | C3 | H12 | 114.2° | 116.8° |
| C3 | C6 | H14 | 114.4° | 116.0° |
| C4 | C7 | C6 | 89.5° | 87.1° |
| C4 | C7 | C10 | 116.2° | 113.2° |
| C7 | C4 | H11 | 114.8° | 116.8° |
| C4 | C7 | H13 | 114.1° | 116.0° |
| C7 | C6 | C8 | 104.9° | 103.7° |
| C6 | C7 | C10 | 106.1° | 104.5° |
| C7 | C6 | H14 | 113.8° | 116.6° |
| C6 | C7 | H13 | 113.6° | 116.6° |
| C6 | C8 | N9 | 106.4° | 106.7° |
| C8 | C6 | H14 | 114.6° | 115.7° |
| C6 | C8 | H49 | 110.2° | 110.0° |
| C6 | C8 | H48 | 110.3° | 110.0° |
| C8 | N9 | C10 | 110.3° | 109.3° |
| C8 | N9 | C17 | 120.3° | 125.3° |
| N9 | C8 | H49 | 110.2° | 110.0° |
| N9 | C8 | H48 | 110.2° | 110.0° |
| C7 | C10 | N9 | 105.5° | 108.0° |
| C10 | C7 | H13 | 114.3° | 115.7° |
| C7 | C10 | H50 | 110.5° | 109.8° |
| C7 | C10 | H51 | 110.4° | 109.8° |
| C10 | N9 | C17 | 124.3° | 125.3° |
| N9 | C10 | H50 | 110.5° | 109.8° |
| N9 | C10 | H51 | 110.5° | 109.8° |
| N1 | C15 | O16 | 122.0° | 120.0° |
| N1 | C15 | C28 | 115.5° | 120.0° |
| O16 | C15 | C28 | 122.5° | 120.0° |
| N9 | C17 | C18 | 121.3° | 120.0° |
| N9 | C17 | O19 | 119.0° | 120.0° |
| C18 | C17 | O19 | 119.7° | 120.0° |
| C17 | C18 | C20 | 120.6° | 119.8° |
| C17 | C18 | C22 | 118.0° | 119.9° |
| C18 | C20 | C21 | 122.3° | 120.4° |
| C20 | C18 | C22 | 121.4° | 120.3° |
| C18 | C20 | H52 | 118.8° | 119.8° |
| C20 | C21 | C24 | 117.2° | 120.2° |
| C21 | C20 | H52 | 118.8° | 119.8° |
| C20 | C21 | H53 | 121.4° | 119.9° |
| C18 | C22 | C23 | 117.5° | 119.6° |
| C18 | C22 | H54 | 121.3° | 120.2° |
| C22 | C23 | C24 | 120.3° | 119.4° |
| C22 | C23 | N27 | 134.0° | 133.1° |
| C23 | C22 | H54 | 121.2° | 120.2° |
| C21 | C24 | C23 | 121.2° | 120.2° |
| C21 | C24 | N25 | 135.2° | 133.7° |
| C24 | C21 | H53 | 121.4° | 120.0° |
| C23 | C24 | N25 | 103.6° | 106.1° |
| C24 | C23 | N27 | 105.7° | 107.6° |
| C24 | N25 | N26 | 109.4° | 106.7° |
| C24 | N25 | H55 | 125.3° | 126.6° |
| N25 | N26 | N27 | 112.1° | 109.5° |
| N26 | N25 | H55 | 125.3° | 126.7° |
| C23 | N27 | N26 | 109.3° | 110.2° |
| C15 | C28 | N29 | 115.6° | 119.2° |
| C15 | C28 | C31 | 121.6° | 119.3° |
| C28 | N29 | C30 | 117.3° | 122.5° |
| N29 | C28 | C31 | 122.8° | 121.5° |
| N29 | C30 | C33 | 126.1° | 120.1° |
| N29 | C30 | O38 | 119.4° | 119.9° |
| C28 | C31 | C32 | 119.3° | 118.7° |
| C28 | C31 | H56 | 120.4° | 120.6° |
| C31 | C32 | C33 | 119.1° | 118.3° |
| C31 | C32 | C37 | 123.1° | 122.1° |
| C32 | C31 | H56 | 120.4° | 120.7° |
| C30 | C33 | C32 | 115.4° | 118.8° |
| C30 | C33 | C34 | 123.5° | 121.9° |
| C33 | C30 | O38 | 114.5° | 120.0° |
| C32 | C33 | C34 | 121.1° | 119.3° |
| C33 | C32 | C37 | 117.8° | 119.6° |
| C33 | C34 | C35 | 119.7° | 119.6° |
| C33 | C34 | H57 | 120.1° | 120.2° |
| C34 | C35 | C36 | 119.6° | 121.0° |
| C35 | C34 | H57 | 120.1° | 120.2° |
| C34 | C35 | H58 | 120.2° | 119.5° |
| C35 | C36 | C37 | 121.2° | 120.9° |
| C36 | C35 | H58 | 120.2° | 119.5° |
| C35 | C36 | H59 | 119.4° | 119.5° |
| C32 | C37 | C36 | 120.6° | 119.5° |
| C32 | C37 | H60 | 119.7° | 120.2° |
| C37 | C36 | H59 | 119.4° | 119.6° |
| C36 | C37 | H60 | 119.7° | 120.2° |
| C30 | O38 | C39 | 112.9° | 117.0° |
| O38 | C39 | C40 | 102.5° | 109.5° |
| O38 | C39 | H61 | 111.2° | 109.5° |
| O38 | C39 | H62 | 111.2° | 109.4° |
| C39 | C40 | F41 | 112.8° | 109.4° |
| C39 | C40 | F42 | 113.0° | 109.5° |
| C39 | C40 | F43 | 112.8° | 109.5° |
| C40 | C39 | H61 | 111.2° | 109.5° |
| C40 | C39 | H62 | 111.2° | 109.4° |
| F41 | C40 | F42 | 105.6° | 109.5° |
| F41 | C40 | F43 | 105.8° | 109.5° |
| F42 | C40 | F43 | 106.2° | 109.5° |
| H45 | C2 | H44 | 109.5° | 110.1° |
| H46 | C5 | H47 | 109.5° | 109.8° |
| H49 | C8 | H48 | 109.5° | 110.0° |
| H50 | C10 | H51 | 109.5° | 109.8° |
| H61 | C39 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H45 | 119.4° | 119.4° |
| N1 | C2 | C3 | H44 | 119.4° | 119.3° |
| N1 | C2 | C3 | C4 | 8.2° | 27.3° |
| C2 | N1 | C5 | C15 | 178.7° | 179.8° |
| C2 | N1 | C5 | C4 | 22.1° | 1.1° |
| N1 | C2 | C3 | C6 | 105.8° | 65.6° |
| C2 | N1 | C15 | O16 | 0.9° | 0.1° |
| C2 | N1 | C15 | C28 | 179.7° | 180.0° |
| N1 | C2 | H45 | H44 | 121.7° | 121.3° |
| N1 | C2 | C3 | H12 | 117.9° | 155.9° |
| C2 | N1 | C5 | H46 | 141.5° | 118.5° |
| C2 | N1 | C5 | H47 | 97.4° | 120.8° |
| C2 | C3 | C4 | C6 | 117.2° | 113.8° |
| C2 | C3 | C4 | H12 | 126.4° | 127.5° |
| C3 | C2 | N1 | C5 | 19.2° | 18.1° |
| C2 | C3 | C4 | C5 | 4.4° | 26.0° |
| C2 | C3 | C6 | H12 | 136.4° | 137.7° |
| C2 | C3 | C4 | C7 | 119.1° | 139.2° |
| C2 | C3 | C6 | C7 | 109.4° | 129.0° |
| C2 | C3 | C6 | C8 | 143.7° | 127.3° |
| C3 | C2 | N1 | C15 | 159.6° | 162.1° |
| C3 | C2 | H45 | H44 | 121.7° | 121.3° |
| C2 | C3 | C4 | H11 | 123.3° | 102.2° |
| C2 | C3 | C6 | H14 | 7.1° | 10.6° |
| C3 | C4 | C5 | N1 | 15.4° | 16.0° |
| C3 | C4 | C5 | C7 | 97.7° | 93.0° |
| C3 | C4 | C5 | H11 | 127.3° | 129.1° |
| C4 | C3 | C6 | H12 | 116.0° | 118.5° |
| C3 | C4 | C7 | H11 | 117.2° | 118.4° |
| C4 | C3 | C6 | C7 | 1.8° | 25.2° |
| C4 | C3 | C6 | C8 | 108.6° | 129.0° |
| C3 | C4 | C7 | C10 | 106.0° | 79.4° |
| C4 | C3 | C2 | H45 | 111.3° | 146.7° |
| C4 | C3 | C2 | H44 | 127.6° | 91.9° |
| C3 | C4 | C5 | H46 | 134.9° | 135.6° |
| C3 | C4 | C5 | H47 | 104.0° | 103.7° |
| C4 | C3 | C6 | H14 | 114.7° | 93.2° |
| C3 | C4 | C7 | H13 | 117.6° | 143.4° |
| N1 | C5 | C4 | H46 | 119.4° | 119.6° |
| N1 | C5 | C4 | H47 | 119.4° | 119.7° |
| N1 | C5 | C4 | C7 | 113.1° | 109.0° |
| C5 | N1 | C15 | O16 | 179.4° | 179.7° |
| C5 | N1 | C15 | C28 | 1.1° | 0.2° |
| C5 | N1 | C2 | H45 | 100.3° | 137.4° |
| C5 | N1 | C2 | H44 | 138.6° | 101.2° |
| N1 | C5 | C4 | H11 | 111.8° | 113.1° |
| N1 | C5 | H46 | H47 | 121.7° | 120.8° |
| C5 | C4 | C3 | C6 | 112.8° | 87.8° |
| C5 | C4 | C7 | H11 | 135.2° | 137.1° |
| C5 | C4 | C7 | C6 | 105.8° | 79.3° |
| C5 | C4 | C7 | C10 | 146.4° | 176.2° |
| C4 | C5 | N1 | C15 | 156.7° | 179.1° |
| C5 | C4 | C3 | H12 | 130.8° | 153.5° |
| C4 | C5 | H46 | H47 | 121.7° | 120.8° |
| C5 | C4 | C7 | H13 | 10.0° | 39.0° |
| C3 | C6 | C7 | C8 | 117.0° | 113.8° |
| C3 | C6 | C7 | H14 | 117.0° | 117.8° |
| C3 | C6 | C8 | H14 | 136.6° | 138.0° |
| C3 | C6 | C8 | N9 | 111.6° | 65.6° |
| C3 | C6 | C7 | C10 | 115.4° | 87.8° |
| C6 | C3 | C2 | H45 | 13.7° | 53.7° |
| C6 | C3 | C2 | H44 | 134.8° | 175.1° |
| C6 | C3 | C4 | H11 | 119.5° | 144.0° |
| C3 | C6 | C7 | H13 | 118.1° | 143.1° |
| C3 | C6 | C8 | H49 | 128.9° | 175.0° |
| C3 | C6 | C8 | H48 | 7.9° | 53.7° |
| C4 | C7 | C6 | C10 | 117.2° | 113.2° |
| C4 | C7 | C6 | H13 | 116.3° | 117.7° |
| C4 | C7 | C6 | C8 | 118.8° | 139.2° |
| C4 | C7 | C10 | H13 | 136.3° | 137.4° |
| C4 | C7 | C10 | N9 | 114.1° | 109.0° |
| C7 | C4 | C3 | H12 | 114.5° | 93.3° |
| C7 | C4 | C5 | H46 | 127.4° | 131.4° |
| C7 | C4 | C5 | H47 | 6.3° | 10.7° |
| C4 | C7 | C6 | H14 | 115.1° | 92.4° |
| C4 | C7 | C10 | H50 | 5.3° | 10.6° |
| C4 | C7 | C10 | H51 | 126.5° | 131.4° |
| C7 | C6 | C8 | H14 | 125.6° | 129.0° |
| C7 | C6 | C8 | N9 | 13.8° | 27.4° |
| C6 | C7 | C10 | H13 | 126.0° | 129.6° |
| C6 | C7 | C10 | N9 | 16.5° | 16.0° |
| C7 | C6 | C3 | H12 | 114.1° | 93.3° |
| C6 | C7 | C4 | H11 | 119.0° | 143.6° |
| C7 | C6 | C8 | H49 | 133.3° | 92.0° |
| C7 | C6 | C8 | H48 | 105.7° | 146.7° |
| C6 | C7 | C10 | H50 | 102.9° | 103.7° |
| C6 | C7 | C10 | H51 | 135.9° | 135.6° |
| C6 | C8 | N9 | H49 | 119.5° | 119.3° |
| C6 | C8 | N9 | H48 | 119.5° | 119.4° |
| C8 | C6 | C7 | C10 | 1.6° | 26.0° |
| C6 | C8 | N9 | C10 | 25.7° | 18.1° |
| C6 | C8 | N9 | C17 | 178.5° | 162.0° |
| C8 | C6 | C3 | H12 | 7.3° | 10.5° |
| C8 | C6 | C7 | H13 | 124.9° | 103.1° |
| C6 | C8 | H49 | H48 | 121.4° | 121.4° |
| C8 | N9 | C10 | C7 | 26.5° | 1.2° |
| C8 | N9 | C10 | C17 | 154.6° | 179.9° |
| C8 | N9 | C17 | C18 | 119.5° | 175.2° |
| C8 | N9 | C17 | O19 | 59.3° | 4.8° |
| N9 | C8 | C6 | H14 | 111.8° | 156.4° |
| N9 | C8 | H49 | H48 | 121.4° | 121.3° |
| C8 | N9 | C10 | H50 | 92.9° | 120.8° |
| C8 | N9 | C10 | H51 | 145.8° | 118.5° |
| C7 | C10 | N9 | H50 | 119.4° | 119.7° |
| C7 | C10 | N9 | H51 | 119.4° | 119.6° |
| C7 | C10 | N9 | C17 | 178.9° | 178.9° |
| C10 | C7 | C4 | H11 | 11.2° | 39.1° |
| C10 | C7 | C6 | H14 | 127.7° | 154.4° |
| C7 | C10 | H50 | H51 | 121.8° | 120.7° |
| C10 | N9 | C17 | C18 | 32.8° | 4.9° |
| C10 | N9 | C17 | O19 | 148.5° | 175.1° |
| N9 | C10 | C7 | H13 | 109.6° | 113.6° |
| C10 | N9 | C8 | H49 | 145.2° | 101.2° |
| C10 | N9 | C8 | H48 | 93.8° | 137.5° |
| N9 | C10 | H50 | H51 | 121.9° | 120.7° |
| N1 | C15 | O16 | C28 | 179.4° | 179.9° |
| N1 | C15 | C28 | N29 | 52.2° | 0.1° |
| N1 | C15 | C28 | C31 | 126.4° | 179.7° |
| C15 | N1 | C2 | H45 | 81.0° | 42.8° |
| C15 | N1 | C2 | H44 | 40.2° | 78.6° |
| C15 | N1 | C5 | H46 | 37.2° | 61.3° |
| C15 | N1 | C5 | H47 | 83.9° | 59.4° |
| O16 | C15 | C28 | N29 | 127.2° | 180.0° |
| O16 | C15 | C28 | C31 | 54.2° | 0.2° |
| N9 | C17 | C18 | O19 | 178.7° | 179.9° |
| N9 | C17 | C18 | C20 | 44.5° | 43.0° |
| N9 | C17 | C18 | C22 | 136.7° | 137.3° |
| C17 | N9 | C8 | H49 | 59.0° | 78.7° |
| C17 | N9 | C8 | H48 | 62.0° | 42.6° |
| C17 | N9 | C10 | H50 | 61.8° | 59.3° |
| C17 | N9 | C10 | H51 | 59.5° | 61.4° |
| C17 | C18 | C20 | C22 | 178.8° | 179.7° |
| C17 | C18 | C20 | C21 | 179.4° | 180.0° |
| C17 | C18 | C22 | C23 | 179.3° | 180.0° |
| C17 | C18 | C20 | H52 | 0.5° | 0.0° |
| C17 | C18 | C22 | H54 | 0.7° | 0.0° |
| O19 | C17 | C18 | C20 | 134.2° | 137.1° |
| O19 | C17 | C18 | C22 | 44.6° | 42.6° |
| C18 | C20 | C21 | H52 | 180.0° | 180.0° |
| C20 | C18 | C22 | C23 | 0.5° | 0.2° |
| C18 | C20 | C21 | C24 | 0.6° | 0.1° |
| C18 | C20 | C21 | H53 | 179.4° | 180.0° |
| C20 | C18 | C22 | H54 | 179.5° | 179.7° |
| C21 | C20 | C18 | C22 | 0.7° | 0.3° |
| C20 | C21 | C24 | H53 | 180.0° | 179.9° |
| C20 | C21 | C24 | C23 | 0.4° | 0.4° |
| C20 | C21 | C24 | N25 | 179.7° | 180.0° |
| C18 | C22 | C23 | H54 | 180.0° | 180.0° |
| C18 | C22 | C23 | C24 | 0.3° | 0.1° |
| C18 | C22 | C23 | N27 | 179.9° | 179.9° |
| C22 | C18 | C20 | H52 | 179.3° | 179.7° |
| C22 | C23 | C24 | C21 | 0.2° | 0.4° |
| C22 | C23 | C24 | N27 | 179.7° | 179.9° |
| C22 | C23 | C24 | N25 | 179.8° | 179.9° |
| C22 | C23 | N27 | N26 | 179.8° | 179.5° |
| C21 | C24 | C23 | N25 | 180.0° | 179.7° |
| C21 | C24 | N25 | N26 | 180.0° | 180.0° |
| C21 | C24 | C23 | N27 | 179.9° | 179.7° |
| C24 | C21 | C20 | H52 | 179.4° | 180.0° |
| C21 | C24 | N25 | H55 | 0.0° | 0.1° |
| C23 | C24 | N25 | N26 | 0.0° | 0.3° |
| C24 | C23 | N27 | N26 | 0.2° | 0.3° |
| C23 | C24 | C21 | H53 | 179.6° | 179.7° |
| C24 | C23 | C22 | H54 | 179.7° | 179.9° |
| C23 | C24 | N25 | H55 | 180.0° | 179.7° |
| C24 | N25 | N26 | H55 | 180.0° | 180.0° |
| N25 | C24 | C23 | N27 | 0.1° | 0.0° |
| C24 | N25 | N26 | N27 | 0.1° | 0.5° |
| N25 | C24 | C21 | H53 | 0.3° | 0.1° |
| N25 | N26 | N27 | C23 | 0.2° | 0.5° |
| N27 | C23 | C22 | H54 | 0.1° | 0.1° |
| N27 | N26 | N25 | H55 | 179.9° | 179.5° |
| C15 | C28 | N29 | C31 | 178.6° | 179.8° |
| C15 | C28 | N29 | C30 | 179.8° | 180.0° |
| C15 | C28 | C31 | C32 | 179.2° | 180.0° |
| C15 | C28 | C31 | H56 | 0.8° | 0.1° |
| N29 | C28 | C31 | C32 | 0.7° | 0.3° |
| C28 | N29 | C30 | C33 | 1.3° | 0.1° |
| C28 | N29 | C30 | O38 | 179.9° | 180.0° |
| N29 | C28 | C31 | H56 | 179.3° | 179.7° |
| C30 | N29 | C28 | C31 | 1.3° | 0.2° |
| N29 | C30 | C33 | O38 | 178.6° | 179.9° |
| N29 | C30 | C33 | C32 | 0.8° | 0.4° |
| N29 | C30 | C33 | C34 | 179.5° | 179.9° |
| N29 | C30 | O38 | C39 | 32.0° | 0.0° |
| C28 | C31 | C32 | H56 | 180.0° | 179.9° |
| C28 | C31 | C32 | C33 | 0.2° | 0.0° |
| C28 | C31 | C32 | C37 | 179.7° | 179.9° |
| C31 | C32 | C33 | C30 | 0.2° | 0.3° |
| C31 | C32 | C33 | C37 | 179.9° | 179.9° |
| C31 | C32 | C33 | C34 | 179.9° | 180.0° |
| C31 | C32 | C37 | C36 | 179.8° | 179.4° |
| C31 | C32 | C37 | H60 | 0.2° | 0.1° |
| C30 | C33 | C32 | C34 | 179.7° | 179.7° |
| C30 | C33 | C34 | C35 | 179.8° | 179.9° |
| C30 | C33 | C32 | C37 | 179.7° | 179.6° |
| C33 | C30 | O38 | C39 | 146.8° | 179.9° |
| C30 | C33 | C34 | H57 | 0.2° | 0.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.2° |
| C33 | C32 | C37 | C36 | 0.1° | 0.7° |
| C32 | C33 | C30 | O38 | 179.4° | 179.7° |
| C33 | C32 | C31 | H56 | 179.8° | 179.9° |
| C32 | C33 | C34 | H57 | 179.9° | 179.7° |
| C33 | C32 | C37 | H60 | 179.9° | 180.0° |
| C33 | C34 | C35 | H57 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C34 | C33 | C32 | C37 | 0.0° | 0.1° |
| C34 | C33 | C30 | O38 | 0.8° | 0.0° |
| C33 | C34 | C35 | H58 | 179.7° | 180.0° |
| C34 | C35 | C36 | H58 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.4° | 0.7° |
| C34 | C35 | C36 | H59 | 179.6° | 180.0° |
| C35 | C36 | C37 | C32 | 0.3° | 1.0° |
| C35 | C36 | C37 | H59 | 180.0° | 179.3° |
| C36 | C35 | C34 | H57 | 179.8° | 180.0° |
| C35 | C36 | C37 | H60 | 179.7° | 179.7° |
| C32 | C37 | C36 | H60 | 180.0° | 179.3° |
| C37 | C32 | C31 | H56 | 0.3° | 0.0° |
| C32 | C37 | C36 | H59 | 179.7° | 179.7° |
| C37 | C36 | C35 | H58 | 179.6° | 179.4° |
| C30 | O38 | C39 | C40 | 176.4° | 180.0° |
| C30 | O38 | C39 | H61 | 57.5° | 60.0° |
| C30 | O38 | C39 | H62 | 64.8° | 60.0° |
| O38 | C39 | C40 | H61 | 118.9° | 120.0° |
| O38 | C39 | C40 | H62 | 118.8° | 119.9° |
| O38 | C39 | C40 | F41 | 31.9° | 60.0° |
| O38 | C39 | C40 | F42 | 151.7° | 180.0° |
| O38 | C39 | C40 | F43 | 87.9° | 59.9° |
| O38 | C39 | H61 | H62 | 123.3° | 120.0° |
| C39 | C40 | F41 | F42 | 123.9° | 120.0° |
| C39 | C40 | F41 | F43 | 123.8° | 120.0° |
| C39 | C40 | F42 | F43 | 124.1° | 120.0° |
| C40 | C39 | H61 | H62 | 123.3° | 120.0° |
| F41 | C40 | F42 | F43 | 112.1° | 120.0° |
| F41 | C40 | C39 | H61 | 86.9° | 60.0° |
| F41 | C40 | C39 | H62 | 150.8° | 180.0° |
| F42 | C40 | C39 | H61 | 32.8° | 60.0° |
| F42 | C40 | C39 | H62 | 89.5° | 60.1° |
| F43 | C40 | C39 | H61 | 153.2° | 180.0° |
| F43 | C40 | C39 | H62 | 30.9° | 60.0° |
| H45 | C2 | C3 | H12 | 122.7° | 84.8° |
| H44 | C2 | C3 | H12 | 1.5° | 36.6° |
| H12 | C3 | C4 | H11 | 3.1° | 25.3° |
| H12 | C3 | C6 | H14 | 129.4° | 148.3° |
| H11 | C4 | C5 | H46 | 7.6° | 6.5° |
| H11 | C4 | C5 | H47 | 128.7° | 127.2° |
| H11 | C4 | C7 | H13 | 125.2° | 98.2° |
| H14 | C6 | C7 | H13 | 1.2° | 25.4° |
| H14 | C6 | C8 | H49 | 7.7° | 37.1° |
| H14 | C6 | C8 | H48 | 128.7° | 84.3° |
| H13 | C7 | C10 | H50 | 131.0° | 126.7° |
| H13 | C7 | C10 | H51 | 9.8° | 6.0° |
| H52 | C20 | C21 | H53 | 0.6° | 0.1° |
| H57 | C34 | C35 | H58 | 0.3° | 0.0° |
| H58 | C35 | C36 | H59 | 0.4° | 0.0° |
| H59 | C36 | C37 | H60 | 0.3° | 0.3° |
