A1IPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C10 | N9 | sing | 1.47Å | 1.45Å | |
| C10 | C15 | sing | 1.51Å | 1.53Å | |
| N9 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | C31 | sing | 1.51Å | 1.51Å | |
| C8 | O7 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C15 | O30 | doub | 1.21Å | 1.22Å | |
| C25 | O29 | doub | 1.21Å | 1.21Å | |
| C25 | C17 | sing | 1.51Å | 1.53Å | |
| C31 | O32 | sing | 1.43Å | 1.42Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O32 | C33 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C33 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | O38 | sing | 1.36Å | 1.37Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| O38 | C39 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13C | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14C | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | C13 | 110.9° | 109.5° |
| C14 | C12 | C11 | 110.4° | 109.5° |
| C14 | C12 | H12 | 108.4° | 109.5° |
| C12 | C14 | H14B | 109.5° | 109.5° |
| C12 | C14 | H14C | 109.4° | 109.5° |
| C12 | C14 | H14A | 109.4° | 109.5° |
| C13 | C12 | C11 | 110.1° | 109.5° |
| C12 | C13 | H13C | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C12 | C11 | C10 | 116.4° | 109.5° |
| C12 | C11 | H11A | 107.7° | 109.5° |
| C12 | C11 | H11B | 107.7° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C10 | N9 | 111.0° | 109.5° |
| C11 | C10 | C15 | 105.9° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C10 | C11 | H11A | 107.7° | 109.4° |
| C10 | C11 | H11B | 107.7° | 109.4° |
| C27 | C26 | C25 | 112.4° | 109.4° |
| C27 | C26 | H26A | 108.7° | 109.5° |
| C27 | C26 | H26B | 108.7° | 109.5° |
| C26 | C27 | H27B | 109.5° | 109.4° |
| C26 | C27 | H1 | 109.4° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| C26 | C25 | O29 | 121.0° | 120.0° |
| C26 | C25 | C17 | 118.0° | 120.0° |
| C25 | C26 | H26A | 108.8° | 109.5° |
| C25 | C26 | H26B | 108.7° | 109.4° |
| N9 | C10 | C15 | 113.4° | 109.5° |
| C10 | N9 | C8 | 121.6° | 120.0° |
| N9 | C10 | H10 | 109.5° | 109.4° |
| C10 | N9 | H9 | 119.2° | 120.0° |
| C10 | C15 | N16 | 117.0° | 120.0° |
| C10 | C15 | O30 | 120.5° | 120.0° |
| C15 | C10 | H10 | 108.4° | 109.4° |
| N9 | C8 | C31 | 116.3° | 120.0° |
| N9 | C8 | O7 | 123.5° | 120.0° |
| C8 | N9 | H9 | 119.2° | 120.0° |
| C31 | C8 | O7 | 120.2° | 120.0° |
| C8 | C31 | O32 | 111.3° | 109.5° |
| C8 | C31 | H31A | 109.0° | 109.5° |
| C8 | C31 | H31B | 109.0° | 109.5° |
| N16 | C15 | O30 | 122.1° | 120.0° |
| C15 | N16 | C17 | 122.8° | 120.0° |
| C15 | N16 | H16 | 118.6° | 120.1° |
| O29 | C25 | C17 | 121.1° | 120.0° |
| C25 | C17 | N16 | 113.4° | 109.5° |
| C25 | C17 | C18 | 114.0° | 109.5° |
| C25 | C17 | H17 | 106.7° | 109.5° |
| C31 | O32 | C33 | 118.6° | 117.0° |
| O32 | C31 | H31A | 109.0° | 109.4° |
| O32 | C31 | H31B | 109.0° | 109.5° |
| N16 | C17 | C18 | 107.9° | 109.5° |
| N16 | C17 | H17 | 107.7° | 109.4° |
| C17 | N16 | H16 | 118.6° | 120.0° |
| C17 | C18 | C19 | 111.5° | 109.5° |
| C18 | C17 | H17 | 106.7° | 109.5° |
| C17 | C18 | H18A | 109.0° | 109.4° |
| C17 | C18 | H18B | 109.0° | 109.4° |
| O32 | C33 | C40 | 125.4° | 120.0° |
| O32 | C33 | C34 | 113.9° | 120.0° |
| C18 | C19 | C20 | 120.6° | 120.0° |
| C18 | C19 | C24 | 120.7° | 120.0° |
| C19 | C18 | H18A | 109.0° | 109.5° |
| C19 | C18 | H18B | 109.0° | 109.5° |
| C40 | C33 | C34 | 120.7° | 119.9° |
| C33 | C40 | C37 | 119.1° | 119.9° |
| C33 | C40 | H40 | 120.4° | 120.1° |
| C33 | C34 | C35 | 119.4° | 120.1° |
| C33 | C34 | H34 | 120.3° | 119.9° |
| C40 | C37 | O38 | 119.5° | 120.1° |
| C40 | C37 | C36 | 120.8° | 119.9° |
| C37 | C40 | H40 | 120.5° | 120.0° |
| C19 | C20 | C21 | 120.9° | 120.0° |
| C20 | C19 | C24 | 118.6° | 120.0° |
| C19 | C20 | H20 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C21 | C20 | H20 | 119.5° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C19 | C24 | H24 | 119.8° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.1° |
| C35 | C34 | H34 | 120.3° | 120.0° |
| C34 | C35 | H35 | 119.6° | 119.9° |
| C21 | C22 | C23 | 119.6° | 119.9° |
| C22 | C21 | H21 | 120.0° | 119.9° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| O38 | C37 | C36 | 119.6° | 120.0° |
| C37 | O38 | C39 | 118.4° | 117.0° |
| C37 | C36 | C35 | 119.3° | 120.1° |
| C37 | C36 | H36 | 120.4° | 119.9° |
| C24 | C23 | C22 | 120.5° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.1° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C36 | C35 | H35 | 119.6° | 120.0° |
| C35 | C36 | H36 | 120.4° | 120.0° |
| O38 | C39 | H39B | 109.5° | 109.4° |
| O38 | C39 | H39C | 109.4° | 109.4° |
| O38 | C39 | H39A | 109.5° | 109.5° |
| C23 | C22 | H22 | 120.2° | 120.0° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| H13C | C13 | H13A | 109.5° | 109.5° |
| H13C | C13 | H13B | 109.4° | 109.4° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H14B | C14 | H14C | 109.5° | 109.4° |
| H14B | C14 | H14A | 109.5° | 109.5° |
| H14C | C14 | H14A | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H27B | C27 | H1 | 109.5° | 109.4° |
| H27B | C27 | H27A | 109.5° | 109.4° |
| H1 | C27 | H27A | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.4° |
| H39B | C39 | H39C | 109.5° | 109.5° |
| H39B | C39 | H39A | 109.5° | 109.5° |
| H39C | C39 | H39A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | C13 | C11 | 122.5° | 120.0° |
| C14 | C12 | C13 | H12 | 118.9° | 120.0° |
| C14 | C12 | C11 | H12 | 118.7° | 120.0° |
| C14 | C12 | C11 | C10 | 178.2° | 66.3° |
| C14 | C12 | C13 | H13C | 180.0° | 180.0° |
| C14 | C12 | C13 | H13A | 60.0° | 60.0° |
| C14 | C12 | C13 | H13B | 60.0° | 60.0° |
| C14 | C12 | C11 | H11A | 57.2° | 53.6° |
| C14 | C12 | C11 | H11B | 60.8° | 173.7° |
| C12 | C14 | H14B | H14C | 120.0° | 120.0° |
| C12 | C14 | H14B | H14A | 120.0° | 120.1° |
| C12 | C14 | H14C | H14A | 120.0° | 120.0° |
| C13 | C12 | C11 | H12 | 118.6° | 120.0° |
| C13 | C12 | C11 | C10 | 55.5° | 173.7° |
| C12 | C13 | H13C | H13A | 120.0° | 120.0° |
| C12 | C13 | H13C | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C12 | C11 | H11A | 65.5° | 66.4° |
| C13 | C12 | C11 | H11B | 176.5° | 53.7° |
| C13 | C12 | C14 | H14B | 180.0° | 55.8° |
| C13 | C12 | C14 | H14C | 60.0° | 64.2° |
| C13 | C12 | C14 | H14A | 60.0° | 175.9° |
| C12 | C11 | C10 | H11A | 121.0° | 120.0° |
| C12 | C11 | C10 | H11B | 121.0° | 120.0° |
| C12 | C11 | C10 | N9 | 48.5° | 173.9° |
| C12 | C11 | C10 | C15 | 171.9° | 66.1° |
| C12 | C11 | C10 | H10 | 71.9° | 53.9° |
| C11 | C12 | C13 | H13C | 57.5° | 60.0° |
| C11 | C12 | C13 | H13A | 177.6° | 180.0° |
| C11 | C12 | C13 | H13B | 62.5° | 60.0° |
| C12 | C11 | H11A | H11B | 116.8° | 120.1° |
| C11 | C12 | C14 | H14B | 57.7° | 64.2° |
| C11 | C12 | C14 | H14C | 62.3° | 175.8° |
| C11 | C12 | C14 | H14A | 177.7° | 55.8° |
| C11 | C10 | N9 | C15 | 119.0° | 120.0° |
| C11 | C10 | N9 | H10 | 119.7° | 120.0° |
| C11 | C10 | C15 | H10 | 116.2° | 120.0° |
| C11 | C10 | N9 | C8 | 136.1° | 88.5° |
| C11 | C10 | C15 | N16 | 98.5° | 73.4° |
| C11 | C10 | C15 | O30 | 89.0° | 106.5° |
| C10 | C11 | H11A | H11B | 116.8° | 119.9° |
| C10 | C11 | C12 | H12 | 63.0° | 53.6° |
| C11 | C10 | N9 | H9 | 43.8° | 91.4° |
| C27 | C26 | C25 | H26A | 120.4° | 120.0° |
| C27 | C26 | C25 | H26B | 120.4° | 119.9° |
| C27 | C26 | C25 | O29 | 34.8° | 0.0° |
| C27 | C26 | C25 | C17 | 145.9° | 180.0° |
| C27 | C26 | H26A | H26B | 118.7° | 120.0° |
| C26 | C27 | H27B | H1 | 120.0° | 120.0° |
| C26 | C27 | H27B | H27A | 120.0° | 120.0° |
| C26 | C27 | H1 | H27A | 120.0° | 120.1° |
| C26 | C25 | O29 | C17 | 179.3° | 180.0° |
| C26 | C25 | C17 | N16 | 60.2° | 165.0° |
| C26 | C25 | C17 | C18 | 175.8° | 75.0° |
| C26 | C25 | C17 | H17 | 58.2° | 45.0° |
| C25 | C26 | H26A | H26B | 118.7° | 120.0° |
| C25 | C26 | C27 | H27B | 180.0° | 180.0° |
| C25 | C26 | C27 | H1 | 60.0° | 60.0° |
| C25 | C26 | C27 | H27A | 60.0° | 60.1° |
| N9 | C10 | C15 | H10 | 121.9° | 119.9° |
| C10 | N9 | C8 | H9 | 180.0° | 179.9° |
| C10 | N9 | C8 | C31 | 177.6° | 175.0° |
| C10 | N9 | C8 | O7 | 4.8° | 4.6° |
| N9 | C10 | C15 | N16 | 139.5° | 166.5° |
| N9 | C10 | C15 | O30 | 32.9° | 13.5° |
| N9 | C10 | C11 | H11A | 169.5° | 53.9° |
| N9 | C10 | C11 | H11B | 72.5° | 66.1° |
| C15 | C10 | N9 | C8 | 104.8° | 151.5° |
| C10 | C15 | N16 | O30 | 172.3° | 179.9° |
| C10 | C15 | N16 | C17 | 164.5° | 175.1° |
| C15 | C10 | C11 | H11A | 67.0° | 173.9° |
| C15 | C10 | C11 | H11B | 50.9° | 54.0° |
| C10 | C15 | N16 | H16 | 15.5° | 4.9° |
| C15 | C10 | N9 | H9 | 75.2° | 28.6° |
| N9 | C8 | C31 | O7 | 177.7° | 179.7° |
| N9 | C8 | C31 | O32 | 159.1° | 179.7° |
| C8 | N9 | C10 | H10 | 16.4° | 31.5° |
| N9 | C8 | C31 | H31A | 38.8° | 59.7° |
| N9 | C8 | C31 | H31B | 80.7° | 60.3° |
| C8 | C31 | O32 | H31A | 120.3° | 120.0° |
| C8 | C31 | O32 | H31B | 120.3° | 120.1° |
| C8 | C31 | O32 | C33 | 88.8° | 180.0° |
| C8 | C31 | H31A | H31B | 119.2° | 120.0° |
| C31 | C8 | N9 | H9 | 2.4° | 5.1° |
| O7 | C8 | C31 | O32 | 18.6° | 0.0° |
| O7 | C8 | C31 | H31A | 138.9° | 120.0° |
| O7 | C8 | C31 | H31B | 101.6° | 120.0° |
| O7 | C8 | N9 | H9 | 175.2° | 175.3° |
| C15 | N16 | C17 | C25 | 106.8° | 85.0° |
| C15 | N16 | C17 | H16 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 126.0° | 155.0° |
| N16 | C15 | C10 | H10 | 17.6° | 46.6° |
| C15 | N16 | C17 | H17 | 11.1° | 35.0° |
| O30 | C15 | N16 | C17 | 23.1° | 5.0° |
| O30 | C15 | C10 | H10 | 154.8° | 133.5° |
| O30 | C15 | N16 | H16 | 156.9° | 175.0° |
| O29 | C25 | C17 | N16 | 119.1° | 15.0° |
| O29 | C25 | C17 | C18 | 4.9° | 105.0° |
| O29 | C25 | C17 | H17 | 122.5° | 135.0° |
| O29 | C25 | C26 | H26A | 155.3° | 120.0° |
| O29 | C25 | C26 | H26B | 85.6° | 119.9° |
| C25 | C17 | N16 | C18 | 127.2° | 120.0° |
| C25 | C17 | N16 | H17 | 117.9° | 120.0° |
| C25 | C17 | C18 | H17 | 117.6° | 120.0° |
| C25 | C17 | C18 | C19 | 167.8° | 175.0° |
| C17 | C25 | C26 | H26A | 25.4° | 60.0° |
| C17 | C25 | C26 | H26B | 93.7° | 60.0° |
| C25 | C17 | C18 | H18A | 72.0° | 65.0° |
| C25 | C17 | C18 | H18B | 47.5° | 55.0° |
| C25 | C17 | N16 | H16 | 73.2° | 95.0° |
| C31 | O32 | C33 | C40 | 4.5° | 180.0° |
| C31 | O32 | C33 | C34 | 174.5° | 0.3° |
| O32 | C31 | H31A | H31B | 119.2° | 120.0° |
| N16 | C17 | C18 | H17 | 115.5° | 120.0° |
| N16 | C17 | C18 | C19 | 65.3° | 65.0° |
| N16 | C17 | C18 | H18A | 55.0° | 55.0° |
| N16 | C17 | C18 | H18B | 174.4° | 175.0° |
| C17 | C18 | C19 | H18A | 120.3° | 120.0° |
| C17 | C18 | C19 | H18B | 120.3° | 120.0° |
| C17 | C18 | C19 | C20 | 69.7° | 90.0° |
| C17 | C18 | C19 | C24 | 106.3° | 90.1° |
| C17 | C18 | H18A | H18B | 119.1° | 119.9° |
| C18 | C17 | N16 | H16 | 54.0° | 25.0° |
| O32 | C33 | C40 | C34 | 178.9° | 179.7° |
| O32 | C33 | C40 | C37 | 179.0° | 179.7° |
| O32 | C33 | C34 | C35 | 179.4° | 179.8° |
| C33 | O32 | C31 | H31A | 31.5° | 60.0° |
| C33 | O32 | C31 | H31B | 150.9° | 59.9° |
| O32 | C33 | C34 | H34 | 0.6° | 0.3° |
| O32 | C33 | C40 | H40 | 1.0° | 0.2° |
| C18 | C19 | C20 | C24 | 176.1° | 179.9° |
| C18 | C19 | C20 | C21 | 175.9° | 180.0° |
| C18 | C19 | C24 | C23 | 175.9° | 180.0° |
| C19 | C18 | C17 | H17 | 50.2° | 55.0° |
| C18 | C19 | C20 | H20 | 4.2° | 0.3° |
| C18 | C19 | C24 | H24 | 4.1° | 0.0° |
| C19 | C18 | H18A | H18B | 119.1° | 120.0° |
| C33 | C40 | C37 | H40 | 180.0° | 179.9° |
| C40 | C33 | C34 | C35 | 0.3° | 0.0° |
| C33 | C40 | C37 | O38 | 176.6° | 180.0° |
| C33 | C40 | C37 | C36 | 0.2° | 0.0° |
| C40 | C33 | C34 | H34 | 179.7° | 180.0° |
| C34 | C33 | C40 | C37 | 0.1° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.3° | 0.1° |
| C33 | C34 | C35 | H35 | 179.7° | 180.0° |
| C34 | C33 | C40 | H40 | 179.9° | 179.9° |
| C40 | C37 | O38 | C36 | 176.9° | 180.0° |
| C40 | C37 | C36 | C35 | 0.2° | 0.0° |
| C40 | C37 | O38 | C39 | 165.7° | 180.0° |
| C40 | C37 | C36 | H36 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.1° |
| C19 | C20 | C21 | H21 | 179.8° | 179.9° |
| C20 | C19 | C24 | H24 | 179.8° | 179.9° |
| C20 | C19 | C18 | H18A | 50.6° | 30.0° |
| C20 | C19 | C18 | H18B | 170.0° | 150.0° |
| C21 | C20 | C19 | C24 | 0.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.1° | 0.1° |
| C24 | C19 | C20 | H20 | 179.8° | 179.6° |
| C24 | C19 | C18 | H18A | 133.4° | 150.0° |
| C24 | C19 | C18 | H18B | 14.0° | 29.9° |
| C19 | C24 | C23 | H23 | 179.9° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C22 | C21 | C20 | H20 | 179.8° | 179.7° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| O38 | C37 | C36 | C35 | 176.6° | 180.0° |
| O38 | C37 | C36 | H36 | 3.4° | 0.1° |
| C37 | O38 | C39 | H39B | 180.0° | 60.0° |
| C37 | O38 | C39 | H39C | 60.0° | 60.0° |
| C37 | O38 | C39 | H39A | 60.0° | 180.0° |
| O38 | C37 | C40 | H40 | 3.4° | 0.1° |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C36 | C37 | O38 | C39 | 11.1° | 0.0° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C36 | C37 | C40 | H40 | 179.8° | 179.9° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| O38 | C39 | H39B | H39C | 120.0° | 119.9° |
| O38 | C39 | H39B | H39A | 120.0° | 120.0° |
| O38 | C39 | H39C | H39A | 120.0° | 120.0° |
| C23 | C22 | C21 | H21 | 179.9° | 179.9° |
| C22 | C23 | C24 | H24 | 179.9° | 179.9° |
| H10 | C10 | C11 | H11A | 49.1° | 66.1° |
| H10 | C10 | C11 | H11B | 167.1° | 173.9° |
| H10 | C10 | N9 | H9 | 163.6° | 148.6° |
| H13C | C13 | H13A | H13B | 120.0° | 120.0° |
| H13C | C13 | C12 | H12 | 61.1° | 60.0° |
| H13A | C13 | C12 | H12 | 59.0° | 60.0° |
| H13B | C13 | C12 | H12 | 178.9° | 180.0° |
| H17 | C17 | C18 | H18A | 170.4° | 175.0° |
| H17 | C17 | C18 | H18B | 70.1° | 65.0° |
| H17 | C17 | N16 | H16 | 168.9° | 145.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.4° |
| H21 | C21 | C22 | H22 | 0.2° | 0.1° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
| H24 | C24 | C23 | H23 | 0.1° | 0.0° |
| H26A | C26 | C27 | H27B | 59.5° | 60.0° |
| H26A | C26 | C27 | H1 | 60.5° | 179.9° |
| H26A | C26 | C27 | H27A | 179.6° | 59.9° |
| H26B | C26 | C27 | H27B | 59.6° | 60.1° |
| H26B | C26 | C27 | H1 | 179.6° | 59.9° |
| H26B | C26 | C27 | H27A | 60.5° | 180.0° |
| H11A | C11 | C12 | H12 | 175.9° | 173.6° |
| H11B | C11 | C12 | H12 | 58.0° | 66.3° |
| H12 | C12 | C14 | H14B | 61.0° | 175.8° |
| H12 | C12 | C14 | H14C | 179.0° | 55.8° |
| H12 | C12 | C14 | H14A | 59.0° | 64.2° |
| H14B | C14 | H14C | H14A | 120.0° | 120.0° |
| H27B | C27 | H1 | H27A | 120.0° | 120.0° |
| H34 | C34 | C35 | H35 | 0.3° | 0.1° |
| H35 | C35 | C36 | H36 | 0.0° | 0.1° |
| H39B | C39 | H39C | H39A | 120.0° | 120.1° |
