D61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.44Å | Aromatic |
| C4 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | N16 | sing | 1.46Å | 1.49Å | |
| N16 | C17 | sing | 1.35Å | 1.34Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.46Å | |
| C19 | C36 | sing | 1.53Å | 1.55Å | |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.36Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.42Å | 1.44Å | Aromatic |
| C29 | C35 | sing | 1.41Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.41Å | 1.38Å | Aromatic |
| C30 | C32 | sing | 1.41Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.39Å | Aromatic |
| C36 | O37 | sing | 1.43Å | 1.47Å | |
| C36 | C42 | sing | 1.51Å | 1.54Å | |
| O37 | C38 | sing | 1.43Å | 1.47Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C39 | O40 | doub | 1.21Å | 1.27Å | |
| C39 | O41 | sing | 1.34Å | 1.27Å | |
| C42 | O43 | doub | 1.21Å | 1.26Å | |
| C42 | O44 | sing | 1.34Å | 1.27Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å | |
| O44 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 121.0° |
| C1 | C2 | C3 | 121.7° | 121.0° |
| C2 | C1 | H1 | 120.2° | 119.5° |
| C1 | C2 | H2 | 119.2° | 119.5° |
| C1 | C6 | C5 | 120.0° | 119.7° |
| C6 | C1 | H1 | 120.2° | 119.5° |
| C1 | C6 | H6 | 120.0° | 120.2° |
| C2 | C3 | C4 | 119.6° | 119.6° |
| C3 | C2 | H2 | 119.1° | 119.5° |
| C2 | C3 | H3 | 120.2° | 120.2° |
| C3 | C4 | C5 | 118.6° | 119.4° |
| C3 | C4 | C10 | 122.2° | 121.3° |
| C4 | C3 | H3 | 120.2° | 120.2° |
| C5 | C4 | C10 | 119.2° | 119.4° |
| C4 | C5 | C6 | 120.6° | 119.4° |
| C4 | C5 | C7 | 119.9° | 119.4° |
| C4 | C10 | C9 | 119.3° | 119.7° |
| C4 | C10 | H10 | 120.4° | 120.2° |
| C6 | C5 | C7 | 119.5° | 121.3° |
| C5 | C6 | H6 | 120.0° | 120.2° |
| C5 | C7 | C8 | 120.4° | 119.6° |
| C5 | C7 | H7 | 119.8° | 120.2° |
| C7 | C8 | C9 | 120.4° | 121.0° |
| C8 | C7 | H7 | 119.8° | 120.2° |
| C7 | C8 | H8 | 119.8° | 119.5° |
| C8 | C9 | C10 | 120.8° | 121.0° |
| C8 | C9 | C11 | 117.1° | 119.5° |
| C9 | C8 | H8 | 119.8° | 119.5° |
| C10 | C9 | C11 | 122.1° | 119.5° |
| C9 | C10 | H10 | 120.4° | 120.2° |
| C9 | C11 | C12 | 108.6° | 109.5° |
| C9 | C11 | H11 | 109.8° | 109.5° |
| C9 | C11 | H11A | 109.8° | 109.5° |
| C11 | C12 | C13 | 110.3° | 109.5° |
| C12 | C11 | H11 | 109.7° | 109.5° |
| C12 | C11 | H11A | 109.8° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C11 | C12 | H12A | 109.2° | 109.5° |
| C12 | C13 | C14 | 112.4° | 109.5° |
| C13 | C12 | H12 | 109.2° | 109.5° |
| C13 | C12 | H12A | 109.2° | 109.5° |
| C12 | C13 | H13 | 108.5° | 109.5° |
| C12 | C13 | H13A | 108.5° | 109.5° |
| C13 | C14 | C15 | 112.5° | 109.5° |
| C14 | C13 | H13 | 108.5° | 109.5° |
| C14 | C13 | H13A | 108.5° | 109.4° |
| C13 | C14 | H14 | 108.5° | 109.5° |
| C13 | C14 | H14A | 108.5° | 109.4° |
| C14 | C15 | N16 | 110.0° | 109.5° |
| C15 | C14 | H14 | 108.5° | 109.5° |
| C15 | C14 | H14A | 108.5° | 109.5° |
| C14 | C15 | H15 | 109.3° | 109.5° |
| C14 | C15 | H15A | 109.3° | 109.4° |
| C15 | N16 | C17 | 121.4° | 120.0° |
| N16 | C15 | H15 | 109.3° | 109.5° |
| N16 | C15 | H15A | 109.3° | 109.5° |
| C15 | N16 | HN16 | 119.3° | 120.0° |
| N16 | C17 | O18 | 123.5° | 120.0° |
| N16 | C17 | C19 | 118.7° | 120.0° |
| C17 | N16 | HN16 | 119.3° | 120.0° |
| O18 | C17 | C19 | 117.8° | 120.0° |
| C17 | C19 | O20 | 108.9° | 109.4° |
| C17 | C19 | C36 | 109.1° | 109.5° |
| C17 | C19 | H19 | 109.2° | 109.5° |
| O20 | C19 | C36 | 106.7° | 109.5° |
| C19 | O20 | C21 | 120.3° | 114.0° |
| O20 | C19 | H19 | 111.5° | 109.4° |
| C19 | C36 | O37 | 107.9° | 109.4° |
| C19 | C36 | C42 | 107.4° | 109.5° |
| C36 | C19 | H19 | 111.4° | 109.5° |
| C19 | C36 | H36 | 113.5° | 109.5° |
| O20 | C21 | C22 | 113.9° | 109.5° |
| O20 | C21 | H21 | 108.0° | 109.4° |
| O20 | C21 | H21A | 108.0° | 109.5° |
| C21 | C22 | C23 | 116.8° | 109.5° |
| C22 | C21 | H21 | 108.1° | 109.5° |
| C22 | C21 | H21A | 108.0° | 109.5° |
| C21 | C22 | H22 | 107.1° | 109.5° |
| C21 | C22 | H22A | 107.1° | 109.5° |
| C22 | C23 | C24 | 112.4° | 109.5° |
| C23 | C22 | H22 | 107.1° | 109.5° |
| C23 | C22 | H22A | 107.1° | 109.5° |
| C22 | C23 | H23 | 108.5° | 109.5° |
| C22 | C23 | H23A | 108.5° | 109.5° |
| C23 | C24 | C25 | 111.8° | 109.5° |
| C24 | C23 | H23 | 108.5° | 109.5° |
| C24 | C23 | H23A | 108.5° | 109.4° |
| C23 | C24 | H24 | 108.7° | 109.5° |
| C23 | C24 | H24A | 108.7° | 109.5° |
| C24 | C25 | C26 | 118.0° | 109.5° |
| C25 | C24 | H24 | 108.7° | 109.5° |
| C25 | C24 | H24A | 108.7° | 109.4° |
| C24 | C25 | H25 | 106.7° | 109.5° |
| C24 | C25 | H25A | 106.7° | 109.4° |
| C25 | C26 | C27 | 121.2° | 119.5° |
| C25 | C26 | C31 | 118.0° | 119.5° |
| C26 | C25 | H25 | 106.7° | 109.5° |
| C26 | C25 | H25A | 106.7° | 109.5° |
| C27 | C26 | C31 | 120.8° | 121.0° |
| C26 | C27 | C28 | 120.6° | 120.9° |
| C26 | C27 | H27 | 119.7° | 119.5° |
| C26 | C31 | C30 | 119.6° | 119.6° |
| C26 | C31 | H31 | 120.2° | 120.2° |
| C27 | C28 | C29 | 118.9° | 119.7° |
| C28 | C27 | H27 | 119.7° | 119.6° |
| C27 | C28 | H28 | 120.6° | 120.1° |
| C28 | C29 | C30 | 120.4° | 119.3° |
| C28 | C29 | C35 | 120.8° | 121.3° |
| C29 | C28 | H28 | 120.6° | 120.1° |
| C30 | C29 | C35 | 118.7° | 119.4° |
| C29 | C30 | C31 | 119.6° | 119.3° |
| C29 | C30 | C32 | 120.4° | 119.3° |
| C29 | C35 | C34 | 119.8° | 119.6° |
| C29 | C35 | H35 | 120.1° | 120.2° |
| C31 | C30 | C32 | 120.0° | 121.3° |
| C30 | C31 | H31 | 120.2° | 120.2° |
| C30 | C32 | C33 | 119.6° | 119.7° |
| C30 | C32 | H32 | 120.2° | 120.1° |
| C32 | C33 | C34 | 119.7° | 121.0° |
| C33 | C32 | H32 | 120.2° | 120.2° |
| C32 | C33 | H33 | 120.1° | 119.5° |
| C33 | C34 | C35 | 121.7° | 121.0° |
| C34 | C33 | H33 | 120.1° | 119.5° |
| C33 | C34 | H34 | 119.1° | 119.5° |
| C35 | C34 | H34 | 119.1° | 119.5° |
| C34 | C35 | H35 | 120.1° | 120.2° |
| O37 | C36 | C42 | 113.9° | 109.4° |
| C36 | O37 | C38 | 121.8° | 114.0° |
| O37 | C36 | H36 | 106.9° | 109.5° |
| C36 | C42 | O43 | 119.7° | 120.0° |
| C36 | C42 | O44 | 116.9° | 120.0° |
| C42 | C36 | H36 | 107.4° | 109.5° |
| O37 | C38 | C39 | 113.8° | 109.4° |
| O37 | C38 | H38 | 108.1° | 109.5° |
| O37 | C38 | H38A | 108.1° | 109.5° |
| C38 | C39 | O40 | 117.5° | 120.1° |
| C38 | C39 | O41 | 118.2° | 120.0° |
| C39 | C38 | H38 | 108.1° | 109.5° |
| C39 | C38 | H38A | 108.0° | 109.5° |
| O40 | C39 | O41 | 124.2° | 119.9° |
| C39 | O41 | H41 | 109.5° | 117.0° |
| O43 | C42 | O44 | 123.3° | 120.0° |
| C42 | O44 | H44 | 109.5° | 117.0° |
| H11 | C11 | H11A | 109.2° | 109.5° |
| H12 | C12 | H12A | 109.8° | 109.4° |
| H13 | C13 | H13A | 110.4° | 109.5° |
| H14 | C14 | H14A | 110.5° | 109.5° |
| H15 | C15 | H15A | 109.6° | 109.5° |
| H21 | C21 | H21A | 110.8° | 109.5° |
| H22 | C22 | H22A | 111.7° | 109.4° |
| H23 | C23 | H23A | 110.5° | 109.5° |
| H24 | C24 | H24A | 110.2° | 109.5° |
| H25 | C25 | H25A | 112.1° | 109.5° |
| H38 | C38 | H38A | 110.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| C2 | C1 | C6 | H6 | 179.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.1° | 179.9° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | C10 | 179.5° | 180.0° |
| C3 | C2 | C1 | H1 | 179.4° | 179.8° |
| C3 | C4 | C5 | C10 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | C7 | 179.2° | 180.0° |
| C3 | C4 | C10 | C9 | 179.2° | 180.0° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C3 | C4 | C10 | H10 | 0.7° | 0.0° |
| C4 | C5 | C6 | C7 | 179.9° | 179.9° |
| C4 | C5 | C7 | C8 | 0.4° | 0.1° |
| C5 | C4 | C10 | C9 | 0.3° | 0.1° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| C4 | C5 | C7 | H7 | 179.6° | 180.0° |
| C5 | C4 | C10 | H10 | 179.6° | 179.9° |
| C10 | C4 | C5 | C6 | 179.6° | 180.0° |
| C10 | C4 | C5 | C7 | 0.2° | 0.1° |
| C4 | C10 | C9 | C8 | 0.2° | 0.0° |
| C4 | C10 | C9 | H10 | 180.0° | 180.0° |
| C4 | C10 | C9 | C11 | 178.2° | 180.0° |
| C10 | C4 | C3 | H3 | 0.5° | 0.1° |
| C6 | C5 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C1 | H1 | 179.3° | 179.7° |
| C6 | C5 | C7 | H7 | 0.3° | 0.1° |
| C5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C5 | C7 | C8 | C9 | 1.0° | 0.0° |
| C7 | C5 | C6 | H6 | 0.9° | 0.0° |
| C5 | C7 | C8 | H8 | 179.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.0° |
| C7 | C8 | C9 | C11 | 179.0° | 180.0° |
| C8 | C9 | C10 | C11 | 178.0° | 180.0° |
| C8 | C9 | C11 | C12 | 78.7° | 90.0° |
| C9 | C8 | C7 | H7 | 179.1° | 180.0° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C8 | C9 | C11 | H11 | 161.3° | 150.0° |
| C8 | C9 | C11 | H11A | 41.3° | 30.0° |
| C10 | C9 | C11 | C12 | 99.3° | 90.0° |
| C10 | C9 | C8 | H8 | 179.1° | 180.0° |
| C10 | C9 | C11 | H11 | 20.6° | 30.0° |
| C10 | C9 | C11 | H11A | 140.6° | 150.0° |
| C9 | C11 | C12 | H11 | 120.0° | 120.0° |
| C9 | C11 | C12 | H11A | 120.0° | 120.0° |
| C9 | C11 | C12 | C13 | 169.9° | 180.0° |
| C11 | C9 | C8 | H8 | 1.0° | 0.0° |
| C11 | C9 | C10 | H10 | 1.8° | 0.0° |
| C9 | C11 | H11 | H11A | 120.4° | 120.0° |
| C9 | C11 | C12 | H12 | 70.0° | 60.0° |
| C9 | C11 | C12 | H12A | 49.9° | 59.9° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 138.1° | 180.0° |
| C12 | C11 | H11 | H11A | 120.4° | 120.0° |
| C11 | C12 | H12 | H12A | 119.6° | 120.0° |
| C11 | C12 | C13 | H13 | 18.1° | 60.0° |
| C11 | C12 | C13 | H13A | 101.9° | 60.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 170.6° | 180.0° |
| C13 | C12 | C11 | H11 | 49.9° | 60.0° |
| C13 | C12 | C11 | H11A | 70.0° | 60.0° |
| C13 | C12 | H12 | H12A | 119.7° | 120.0° |
| C12 | C13 | H13 | H13A | 118.8° | 120.0° |
| C12 | C13 | C14 | H14 | 69.4° | 60.0° |
| C12 | C13 | C14 | H14A | 50.6° | 60.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | N16 | 42.0° | 180.0° |
| C14 | C13 | C12 | H12 | 101.9° | 60.0° |
| C14 | C13 | C12 | H12A | 18.1° | 60.0° |
| C14 | C13 | H13 | H13A | 118.8° | 119.9° |
| C13 | C14 | H14 | H14A | 118.8° | 119.9° |
| C13 | C14 | C15 | H15 | 162.0° | 60.0° |
| C13 | C14 | C15 | H15A | 78.0° | 60.0° |
| C14 | C15 | N16 | H15 | 120.0° | 120.0° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | N16 | C17 | 118.7° | 180.0° |
| C15 | C14 | C13 | H13 | 50.6° | 60.0° |
| C15 | C14 | C13 | H13A | 69.4° | 60.0° |
| C15 | C14 | H14 | H14A | 118.7° | 120.0° |
| C14 | C15 | H15 | H15A | 119.8° | 120.0° |
| C14 | C15 | N16 | HN16 | 61.3° | 0.0° |
| C15 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C15 | N16 | C17 | O18 | 5.1° | 5.0° |
| C15 | N16 | C17 | C19 | 172.5° | 175.0° |
| N16 | C15 | C14 | H14 | 78.0° | 60.0° |
| N16 | C15 | C14 | H14A | 162.0° | 60.0° |
| N16 | C15 | H15 | H15A | 119.8° | 120.0° |
| N16 | C17 | O18 | C19 | 177.6° | 180.0° |
| N16 | C17 | C19 | O20 | 150.1° | 172.1° |
| N16 | C17 | C19 | C36 | 93.8° | 67.9° |
| C17 | N16 | C15 | H15 | 121.3° | 60.0° |
| C17 | N16 | C15 | H15A | 1.3° | 60.1° |
| N16 | C17 | C19 | H19 | 28.1° | 52.2° |
| O18 | C17 | C19 | O20 | 32.2° | 7.9° |
| O18 | C17 | C19 | C36 | 84.0° | 112.1° |
| O18 | C17 | N16 | HN16 | 174.9° | 174.9° |
| O18 | C17 | C19 | H19 | 154.1° | 127.8° |
| C17 | C19 | O20 | C36 | 117.6° | 120.0° |
| C17 | C19 | O20 | H19 | 120.6° | 120.0° |
| C17 | C19 | C36 | H19 | 120.6° | 120.1° |
| C17 | C19 | O20 | C21 | 109.5° | 154.3° |
| C17 | C19 | C36 | O37 | 58.8° | 58.9° |
| C17 | C19 | C36 | C42 | 178.0° | 61.0° |
| C19 | C17 | N16 | HN16 | 7.5° | 5.1° |
| C17 | C19 | C36 | H36 | 59.4° | 178.9° |
| O20 | C19 | C36 | H19 | 121.9° | 120.0° |
| C19 | O20 | C21 | C22 | 164.2° | 175.0° |
| O20 | C19 | C36 | O37 | 58.7° | 178.9° |
| O20 | C19 | C36 | C42 | 64.4° | 58.9° |
| C19 | O20 | C21 | H21 | 44.2° | 55.0° |
| C19 | O20 | C21 | H21A | 75.8° | 65.0° |
| O20 | C19 | C36 | H36 | 177.0° | 61.1° |
| C36 | C19 | O20 | C21 | 132.9° | 85.7° |
| C19 | C36 | O37 | C42 | 119.1° | 120.0° |
| C19 | C36 | O37 | H36 | 122.4° | 120.0° |
| C19 | C36 | C42 | H36 | 122.4° | 120.1° |
| C19 | C36 | O37 | C38 | 115.1° | 85.9° |
| C19 | C36 | C42 | O43 | 118.4° | 113.3° |
| C19 | C36 | C42 | O44 | 59.5° | 66.7° |
| O20 | C21 | C22 | H21 | 120.0° | 120.0° |
| O20 | C21 | C22 | H21A | 120.0° | 120.0° |
| O20 | C21 | C22 | C23 | 31.2° | 180.0° |
| C21 | O20 | C19 | H19 | 11.1° | 34.4° |
| O20 | C21 | H21 | H21A | 118.2° | 120.0° |
| O20 | C21 | C22 | H22 | 151.2° | 60.0° |
| O20 | C21 | C22 | H22A | 88.8° | 60.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.1° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 79.6° | 180.0° |
| C22 | C21 | H21 | H21A | 118.2° | 120.0° |
| C21 | C22 | H22 | H22A | 117.0° | 120.0° |
| C21 | C22 | C23 | H23 | 160.4° | 60.0° |
| C21 | C22 | C23 | H23A | 40.4° | 60.1° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 177.6° | 180.0° |
| C23 | C22 | C21 | H21 | 88.8° | 60.0° |
| C23 | C22 | C21 | H21A | 151.2° | 60.0° |
| C23 | C22 | H22 | H22A | 117.0° | 120.0° |
| C22 | C23 | H23 | H23A | 118.8° | 120.1° |
| C22 | C23 | C24 | H24 | 57.6° | 60.0° |
| C22 | C23 | C24 | H24A | 62.4° | 60.1° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 172.5° | 180.0° |
| C24 | C23 | C22 | H22 | 40.4° | 59.9° |
| C24 | C23 | C22 | H22A | 160.4° | 60.0° |
| C24 | C23 | H23 | H23A | 118.8° | 119.9° |
| C23 | C24 | H24 | H24A | 119.0° | 120.0° |
| C23 | C24 | C25 | H25 | 67.5° | 60.0° |
| C23 | C24 | C25 | H25A | 52.5° | 60.1° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 80.4° | 90.0° |
| C24 | C25 | C26 | C31 | 101.5° | 90.2° |
| C25 | C24 | C23 | H23 | 62.4° | 60.0° |
| C25 | C24 | C23 | H23A | 57.6° | 60.0° |
| C25 | C24 | H24 | H24A | 119.1° | 120.0° |
| C24 | C25 | H25 | H25A | 116.5° | 120.0° |
| C25 | C26 | C27 | C31 | 178.0° | 179.8° |
| C25 | C26 | C27 | C28 | 178.5° | 180.0° |
| C25 | C26 | C31 | C30 | 177.8° | 179.8° |
| C26 | C25 | C24 | H24 | 52.5° | 60.0° |
| C26 | C25 | C24 | H24A | 67.5° | 60.0° |
| C26 | C25 | H25 | H25A | 116.5° | 120.0° |
| C25 | C26 | C27 | H27 | 1.6° | 0.0° |
| C25 | C26 | C31 | H31 | 2.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.3° | 0.0° |
| C27 | C26 | C31 | C30 | 0.2° | 0.4° |
| C27 | C26 | C25 | H25 | 159.6° | 30.0° |
| C27 | C26 | C25 | H25A | 39.6° | 150.0° |
| C26 | C27 | C28 | H28 | 178.7° | 180.0° |
| C27 | C26 | C31 | H31 | 179.7° | 179.7° |
| C31 | C26 | C27 | C28 | 0.5° | 0.2° |
| C26 | C31 | C30 | C29 | 0.1° | 0.4° |
| C26 | C31 | C30 | H31 | 180.0° | 179.8° |
| C26 | C31 | C30 | C32 | 179.7° | 179.8° |
| C31 | C26 | C25 | H25 | 18.5° | 149.8° |
| C31 | C26 | C25 | H25A | 138.5° | 29.7° |
| C31 | C26 | C27 | H27 | 179.5° | 179.8° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.5° | 0.0° |
| C27 | C28 | C29 | C35 | 179.0° | 180.0° |
| C28 | C29 | C30 | C35 | 179.5° | 180.0° |
| C28 | C29 | C30 | C31 | 0.8° | 0.2° |
| C28 | C29 | C30 | C32 | 179.4° | 180.0° |
| C28 | C29 | C35 | C34 | 179.7° | 180.0° |
| C29 | C28 | C27 | H27 | 178.7° | 180.0° |
| C28 | C29 | C35 | H35 | 0.3° | 0.0° |
| C29 | C30 | C31 | C32 | 179.8° | 179.8° |
| C29 | C30 | C32 | C33 | 0.1° | 0.0° |
| C30 | C29 | C35 | C34 | 0.1° | 0.0° |
| C30 | C29 | C28 | H28 | 178.5° | 180.0° |
| C29 | C30 | C31 | H31 | 179.9° | 179.8° |
| C29 | C30 | C32 | H32 | 179.9° | 180.0° |
| C30 | C29 | C35 | H35 | 179.8° | 180.0° |
| C35 | C29 | C30 | C31 | 179.7° | 179.8° |
| C35 | C29 | C30 | C32 | 0.1° | 0.0° |
| C29 | C35 | C34 | C33 | 0.5° | 0.0° |
| C29 | C35 | C34 | H35 | 180.0° | 180.0° |
| C35 | C29 | C28 | H28 | 1.0° | 0.0° |
| C29 | C35 | C34 | H34 | 179.5° | 180.0° |
| C31 | C30 | C32 | C33 | 179.7° | 179.8° |
| C31 | C30 | C32 | H32 | 0.3° | 0.2° |
| C30 | C32 | C33 | H32 | 180.0° | 180.0° |
| C30 | C32 | C33 | C34 | 0.3° | 0.0° |
| C32 | C30 | C31 | H31 | 0.3° | 0.1° |
| C30 | C32 | C33 | H33 | 179.7° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.6° | 0.0° |
| C32 | C33 | C34 | H34 | 179.4° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C34 | C33 | C32 | H32 | 179.7° | 180.0° |
| C33 | C34 | C35 | H35 | 179.5° | 180.0° |
| C35 | C34 | C33 | H33 | 179.4° | 180.0° |
| O37 | C36 | C42 | H36 | 118.3° | 120.0° |
| C36 | O37 | C38 | C39 | 155.8° | 175.0° |
| O37 | C36 | C42 | O43 | 0.9° | 6.7° |
| O37 | C36 | C42 | O44 | 178.8° | 173.4° |
| O37 | C36 | C19 | H19 | 179.4° | 61.1° |
| C36 | O37 | C38 | H38 | 35.8° | 55.0° |
| C36 | O37 | C38 | H38A | 84.2° | 65.0° |
| C42 | C36 | O37 | C38 | 125.9° | 154.1° |
| C36 | C42 | O43 | O44 | 177.7° | 180.0° |
| C42 | C36 | C19 | H19 | 57.4° | 178.9° |
| C36 | C42 | O44 | H44 | 177.8° | 180.0° |
| O37 | C38 | C39 | H38 | 120.0° | 120.0° |
| O37 | C38 | C39 | H38A | 120.0° | 120.0° |
| O37 | C38 | C39 | O40 | 158.7° | 0.0° |
| O37 | C38 | C39 | O41 | 20.6° | 180.0° |
| C38 | O37 | C36 | H36 | 7.3° | 34.1° |
| O37 | C38 | H38 | H38A | 118.2° | 120.0° |
| C38 | C39 | O40 | O41 | 179.2° | 180.0° |
| C39 | C38 | H38 | H38A | 118.2° | 120.0° |
| C38 | C39 | O41 | H41 | 179.2° | 180.0° |
| O40 | C39 | C38 | H38 | 81.3° | 120.0° |
| O40 | C39 | C38 | H38A | 38.7° | 120.0° |
| O40 | C39 | O41 | H41 | 0.0° | 0.0° |
| O41 | C39 | C38 | H38 | 99.5° | 60.0° |
| O41 | C39 | C38 | H38A | 140.5° | 60.0° |
| O43 | C42 | C36 | H36 | 119.2° | 126.7° |
| O43 | C42 | O44 | H44 | 0.0° | 0.0° |
| O44 | C42 | C36 | H36 | 62.9° | 53.4° |
| H1 | C1 | C2 | H2 | 0.6° | 0.3° |
| H1 | C1 | C6 | H6 | 0.6° | 0.3° |
| H2 | C2 | C3 | H3 | 0.5° | 0.0° |
| H7 | C7 | C8 | H8 | 0.9° | 0.1° |
| H11 | C11 | C12 | H12 | 170.0° | 180.0° |
| H11 | C11 | C12 | H12A | 70.0° | 60.1° |
| H11A | C11 | C12 | H12 | 50.0° | 60.0° |
| H11A | C11 | C12 | H12A | 170.0° | 179.9° |
| H12 | C12 | C13 | H13 | 138.1° | 180.0° |
| H12 | C12 | C13 | H13A | 18.1° | 60.0° |
| H12A | C12 | C13 | H13 | 101.9° | 60.0° |
| H12A | C12 | C13 | H13A | 138.1° | 180.0° |
| H13 | C13 | C14 | H14 | 170.6° | 180.0° |
| H13 | C13 | C14 | H14A | 69.4° | 60.0° |
| H13A | C13 | C14 | H14 | 50.6° | 60.0° |
| H13A | C13 | C14 | H14A | 170.6° | 180.0° |
| H14 | C14 | C15 | H15 | 42.0° | NaN° |
| H14 | C14 | C15 | H15A | 162.0° | 60.0° |
| H14A | C14 | C15 | H15 | 78.0° | 60.0° |
| H14A | C14 | C15 | H15A | 42.0° | 180.0° |
| H15 | C15 | N16 | HN16 | 58.7° | 120.0° |
| H15A | C15 | N16 | HN16 | 178.7° | 120.0° |
| H19 | C19 | C36 | H36 | 61.2° | 58.9° |
| H21 | C21 | C22 | H22 | 31.2° | 180.0° |
| H21 | C21 | C22 | H22A | 151.2° | 60.0° |
| H21A | C21 | C22 | H22 | 88.8° | 60.0° |
| H21A | C21 | C22 | H22A | 31.2° | 179.9° |
| H22 | C22 | C23 | H23 | 79.6° | 179.9° |
| H22 | C22 | C23 | H23A | 160.4° | 60.0° |
| H22A | C22 | C23 | H23 | 40.4° | 60.0° |
| H22A | C22 | C23 | H23A | 79.6° | 179.9° |
| H23 | C23 | C24 | H24 | 177.6° | NaN° |
| H23 | C23 | C24 | H24A | 57.6° | 60.0° |
| H23A | C23 | C24 | H24 | 62.4° | 60.0° |
| H23A | C23 | C24 | H24A | 177.6° | 180.0° |
| H24 | C24 | C25 | H25 | 172.5° | 180.0° |
| H24 | C24 | C25 | H25A | 67.5° | 60.0° |
| H24A | C24 | C25 | H25 | 52.5° | 60.0° |
| H24A | C24 | C25 | H25A | 172.5° | 180.0° |
| H27 | C27 | C28 | H28 | 1.3° | 0.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.0° |
| H33 | C33 | C34 | H34 | 0.6° | 0.0° |
| H34 | C34 | C35 | H35 | 0.5° | 0.0° |
