IQO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.40Å | 1.34Å | Aromatic |
| C4 | N5 | sing | 1.39Å | 1.39Å | |
| C4 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.44Å | Aromatic |
| C6 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | N5 | sing | 1.46Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | N42 | sing | 1.47Å | 1.50Å | |
| C17 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.48Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | N23 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | C25 | sing | 1.46Å | 1.50Å | Aromatic |
| C24 | C36 | sing | 1.48Å | 1.50Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | N2 | sing | 1.35Å | 1.39Å | |
| C1 | N5 | sing | 1.35Å | 1.40Å | |
| C1 | O10 | doub | 1.22Å | 1.24Å | |
| N2 | C3 | sing | 1.39Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | N42 | sing | 1.47Å | 1.50Å | |
| C16 | N42 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| N23 | C32 | sing | 1.34Å | 1.36Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.35Å | Aromatic |
| N26 | C27 | sing | 1.34Å | 1.36Å | Aromatic |
| C27 | C32 | sing | 1.47Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.35Å | Aromatic |
| C29 | N34 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | N35 | sing | 1.36Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C33 | N34 | sing | 1.36Å | 1.34Å | Aromatic |
| C33 | N35 | doub | 1.30Å | 1.34Å | Aromatic |
| C36 | C37 | doub | 1.39Å | 1.45Å | Aromatic |
| C36 | C41 | sing | 1.39Å | 1.44Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.43Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.45Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | 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 | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | N5 | 109.2° | 106.8° |
| C3 | C4 | C9 | 121.4° | 119.9° |
| C4 | C3 | C6 | 121.2° | 119.9° |
| C4 | C3 | N2 | 109.2° | 106.8° |
| N5 | C4 | C9 | 129.4° | 133.3° |
| C4 | N5 | C13 | 124.1° | 125.8° |
| C4 | N5 | C1 | 107.1° | 108.4° |
| C4 | C9 | C8 | 119.5° | 119.9° |
| C4 | C9 | H9 | 120.3° | 120.1° |
| C7 | C6 | C3 | 119.3° | 119.9° |
| C6 | C7 | C8 | 119.3° | 120.2° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | H7 | 120.4° | 119.9° |
| C6 | C3 | N2 | 129.7° | 133.3° |
| C3 | C6 | H6 | 120.3° | 120.1° |
| C7 | C8 | C9 | 119.4° | 120.3° |
| C8 | C7 | H7 | 120.4° | 119.9° |
| C7 | C8 | H8 | 120.3° | 119.8° |
| C9 | C8 | H8 | 120.3° | 119.9° |
| C8 | C9 | H9 | 120.3° | 120.1° |
| N5 | C13 | C12 | 114.5° | 109.5° |
| N5 | C13 | C14 | 113.3° | 109.5° |
| C13 | N5 | C1 | 128.9° | 125.8° |
| N5 | C13 | H13 | 103.7° | 109.5° |
| C12 | C13 | C14 | 111.9° | 109.1° |
| C13 | C12 | C11 | 111.7° | 109.3° |
| C12 | C13 | H13 | 105.5° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C13 | C14 | C15 | 111.2° | 109.2° |
| C14 | C13 | H13 | 106.9° | 109.6° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H14A | 108.9° | 109.5° |
| C14 | C15 | N42 | 112.5° | 109.5° |
| C14 | C15 | H15 | 108.5° | 109.4° |
| C14 | C15 | H15A | 108.5° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C15 | C14 | H14A | 108.9° | 109.5° |
| C15 | N42 | C11 | 113.7° | 111.2° |
| C15 | N42 | C16 | 111.6° | 111.0° |
| N42 | C15 | H15 | 108.5° | 109.4° |
| N42 | C15 | H15A | 108.5° | 109.5° |
| C22 | C17 | C16 | 119.8° | 119.9° |
| C22 | C17 | C18 | 119.9° | 120.2° |
| C17 | C22 | C21 | 120.6° | 120.2° |
| C17 | C22 | H22 | 119.7° | 119.9° |
| C16 | C17 | C18 | 120.3° | 119.9° |
| C17 | C16 | N42 | 113.6° | 109.4° |
| C17 | C16 | H16 | 108.1° | 109.5° |
| C17 | C16 | H16A | 108.1° | 109.5° |
| C17 | C18 | C19 | 119.7° | 120.2° |
| C17 | C18 | H18 | 120.2° | 119.9° |
| C21 | C20 | C19 | 119.7° | 119.7° |
| C21 | C20 | C25 | 119.8° | 120.2° |
| C20 | C21 | C22 | 120.5° | 119.9° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C19 | C20 | C25 | 120.4° | 120.1° |
| C20 | C19 | C18 | 119.6° | 119.9° |
| C20 | C19 | H19 | 120.2° | 120.1° |
| C20 | C25 | C24 | 121.9° | 119.8° |
| C20 | C25 | N26 | 118.4° | 119.8° |
| C22 | C21 | H21 | 119.7° | 120.1° |
| C21 | C22 | H22 | 119.7° | 119.9° |
| N23 | C24 | C25 | 119.5° | 120.4° |
| N23 | C24 | C36 | 118.3° | 119.8° |
| C24 | N23 | C32 | 118.9° | 119.8° |
| C25 | C24 | C36 | 122.2° | 119.8° |
| C24 | C25 | N26 | 119.7° | 120.4° |
| C24 | C36 | C37 | 119.6° | 120.1° |
| C24 | C36 | C41 | 120.8° | 120.1° |
| C27 | C28 | C29 | 119.3° | 119.8° |
| C28 | C27 | N26 | 119.1° | 120.9° |
| C28 | C27 | C32 | 119.4° | 119.3° |
| C27 | C28 | H28 | 120.4° | 120.1° |
| C28 | C29 | C30 | 121.5° | 121.2° |
| C28 | C29 | N34 | 132.3° | 133.0° |
| C29 | C28 | H28 | 120.3° | 120.1° |
| N2 | C1 | N5 | 107.7° | 109.7° |
| N2 | C1 | O10 | 126.1° | 125.2° |
| C1 | N2 | C3 | 106.8° | 108.4° |
| C1 | N2 | HN2 | 126.6° | 125.8° |
| N5 | C1 | O10 | 126.2° | 125.2° |
| C3 | N2 | HN2 | 126.6° | 125.8° |
| C12 | C11 | N42 | 112.6° | 109.5° |
| C12 | C11 | H11 | 108.4° | 109.4° |
| C12 | C11 | H11A | 108.4° | 109.4° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C11 | C12 | H12A | 108.7° | 109.5° |
| C11 | N42 | C16 | 113.0° | 111.0° |
| N42 | C11 | H11 | 108.4° | 109.5° |
| N42 | C11 | H11A | 108.5° | 109.4° |
| N42 | C16 | H16 | 108.1° | 109.5° |
| N42 | C16 | H16A | 108.1° | 109.5° |
| C19 | C18 | H18 | 120.2° | 119.9° |
| C18 | C19 | H19 | 120.2° | 120.1° |
| N23 | C32 | C27 | 121.5° | 119.8° |
| N23 | C32 | C31 | 119.1° | 120.9° |
| C25 | N26 | C27 | 118.9° | 119.8° |
| N26 | C27 | C32 | 121.5° | 119.8° |
| C27 | C32 | C31 | 119.5° | 119.3° |
| C30 | C29 | N34 | 106.1° | 105.8° |
| C29 | C30 | C31 | 120.8° | 120.7° |
| C29 | C30 | N35 | 112.5° | 106.8° |
| C29 | N34 | C33 | 105.2° | 107.3° |
| C29 | N34 | HN34 | 127.4° | 126.3° |
| C31 | C30 | N35 | 126.7° | 132.5° |
| C30 | C31 | C32 | 119.5° | 119.7° |
| C30 | C31 | H31 | 120.3° | 120.1° |
| C30 | N35 | C33 | 101.1° | 109.7° |
| C32 | C31 | H31 | 120.3° | 120.2° |
| N34 | C33 | N35 | 115.1° | 110.3° |
| N34 | C33 | H33 | 122.5° | 124.8° |
| C33 | N34 | HN34 | 127.4° | 126.3° |
| N35 | C33 | H33 | 122.4° | 124.8° |
| C37 | C36 | C41 | 119.5° | 119.8° |
| C36 | C37 | C38 | 120.2° | 119.8° |
| C36 | C37 | H37 | 119.9° | 120.1° |
| C36 | C41 | C40 | 119.8° | 119.8° |
| C36 | C41 | H41 | 120.1° | 120.1° |
| C37 | C38 | C39 | 120.1° | 120.2° |
| C38 | C37 | H37 | 119.9° | 120.1° |
| C37 | C38 | H38 | 119.9° | 119.9° |
| C38 | C39 | C40 | 120.2° | 120.3° |
| C39 | C38 | H38 | 119.9° | 119.9° |
| C38 | C39 | H39 | 119.9° | 119.8° |
| C39 | C40 | C41 | 120.2° | 120.2° |
| C40 | C39 | H39 | 119.9° | 119.9° |
| C39 | C40 | H40 | 119.9° | 120.0° |
| C41 | C40 | H40 | 119.9° | 119.9° |
| C40 | C41 | H41 | 120.1° | 120.1° |
| H15 | C15 | H15A | 110.5° | 109.5° |
| H11 | C11 | H11A | 110.5° | 109.5° |
| H12 | C12 | H12A | 110.2° | 109.5° |
| H14 | C14 | H14A | 110.0° | 109.6° |
| H16 | C16 | H16A | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | N5 | C9 | 179.8° | 179.7° |
| C4 | C3 | C6 | C7 | 0.0° | 0.0° |
| C4 | C3 | C6 | N2 | 180.0° | 179.9° |
| C3 | C4 | C9 | C8 | 0.1° | 0.0° |
| C3 | C4 | N5 | C13 | 179.8° | 180.0° |
| C4 | C3 | N2 | C1 | 0.1° | 0.0° |
| C3 | C4 | N5 | C1 | 0.1° | 0.0° |
| C4 | C3 | C6 | H6 | 180.0° | 179.6° |
| C4 | C3 | N2 | HN2 | 179.9° | 179.9° |
| C3 | C4 | C9 | H9 | 179.9° | 179.9° |
| N5 | C4 | C3 | C6 | 179.9° | 179.9° |
| N5 | C4 | C9 | C8 | 179.9° | 179.7° |
| C4 | N5 | C13 | C1 | 179.9° | 179.9° |
| C4 | N5 | C13 | C12 | 98.9° | 120.0° |
| C4 | N5 | C13 | C14 | 131.1° | 120.3° |
| C4 | N5 | C1 | N2 | 0.0° | 0.0° |
| C4 | N5 | C1 | O10 | 179.9° | 180.0° |
| N5 | C4 | C3 | N2 | 0.1° | 0.0° |
| C4 | N5 | C13 | H13 | 15.5° | 0.1° |
| N5 | C4 | C9 | H9 | 0.1° | 0.3° |
| C9 | C4 | C3 | C6 | 0.1° | 0.2° |
| C4 | C9 | C8 | C7 | 0.1° | 0.4° |
| C4 | C9 | C8 | H9 | 180.0° | 179.9° |
| C9 | C4 | N5 | C13 | 0.0° | 0.3° |
| C9 | C4 | N5 | C1 | 179.9° | 179.7° |
| C9 | C4 | C3 | N2 | 180.0° | 179.7° |
| C4 | C9 | C8 | H8 | 179.9° | 179.8° |
| C7 | C6 | C3 | H6 | 180.0° | 179.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.6° |
| C6 | C7 | C8 | C9 | 0.1° | 0.6° |
| C7 | C6 | C3 | N2 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C3 | C6 | C7 | C8 | 0.1° | 0.4° |
| C6 | C3 | N2 | C1 | 179.9° | 179.9° |
| C3 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C3 | N2 | HN2 | 0.0° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 179.4° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.7° |
| C9 | C8 | C7 | H7 | 179.9° | 179.8° |
| N5 | C13 | C12 | C14 | 130.7° | 119.9° |
| N5 | C13 | C12 | H13 | 113.4° | 120.1° |
| N5 | C13 | C14 | H13 | 113.7° | 120.2° |
| N5 | C13 | C14 | C15 | 173.7° | 177.6° |
| C13 | N5 | C1 | N2 | 179.9° | 179.9° |
| C13 | N5 | C1 | O10 | 0.0° | 0.0° |
| N5 | C13 | C12 | C11 | 177.0° | 177.6° |
| N5 | C13 | C12 | H12 | 57.0° | 62.5° |
| N5 | C13 | C12 | H12A | 63.0° | 57.6° |
| N5 | C13 | C14 | H14 | 66.3° | 57.6° |
| N5 | C13 | C14 | H14A | 53.7° | 62.5° |
| C12 | C13 | C14 | H13 | 115.0° | 119.9° |
| C12 | C13 | C14 | C15 | 55.0° | 57.7° |
| C12 | C13 | N5 | C1 | 81.2° | 59.9° |
| C13 | C12 | C11 | H12 | 120.0° | 119.9° |
| C13 | C12 | C11 | H12A | 120.0° | 119.9° |
| C13 | C12 | C11 | N42 | 49.3° | 59.2° |
| C13 | C12 | C11 | H11 | 70.7° | 60.8° |
| C13 | C12 | C11 | H11A | 169.3° | 179.2° |
| C13 | C12 | H12 | H12A | 119.1° | 120.1° |
| C12 | C13 | C14 | H14 | 65.0° | 62.3° |
| C12 | C13 | C14 | H14A | 175.0° | 177.6° |
| C13 | C14 | C15 | H14 | 120.0° | 119.9° |
| C13 | C14 | C15 | H14A | 120.0° | 119.9° |
| C13 | C14 | C15 | N42 | 54.8° | 59.2° |
| C14 | C13 | N5 | C1 | 48.8° | 59.7° |
| C14 | C13 | C12 | C11 | 52.3° | 57.7° |
| C13 | C14 | C15 | H15 | 174.8° | 179.2° |
| C13 | C14 | C15 | H15A | 65.2° | 60.8° |
| C14 | C13 | C12 | H12 | 172.3° | 177.6° |
| C14 | C13 | C12 | H12A | 67.7° | 62.3° |
| C13 | C14 | H14 | H14A | 119.3° | 120.1° |
| C14 | C15 | N42 | H15 | 120.0° | 119.9° |
| C14 | C15 | N42 | H15A | 120.0° | 120.1° |
| C14 | C15 | N42 | C11 | 52.7° | 61.8° |
| C14 | C15 | N42 | C16 | 178.1° | 174.1° |
| C15 | C14 | C13 | H13 | 60.0° | 62.2° |
| C14 | C15 | H15 | H15A | 118.8° | 120.0° |
| C15 | C14 | H14 | H14A | 119.3° | 120.1° |
| C15 | N42 | C16 | C17 | 162.9° | 170.0° |
| C15 | N42 | C11 | C12 | 49.8° | 61.8° |
| C15 | N42 | C11 | C16 | 128.5° | 124.1° |
| N42 | C15 | H15 | H15A | 118.8° | 120.0° |
| C15 | N42 | C11 | H11 | 70.1° | 58.2° |
| C15 | N42 | C11 | H11A | 169.8° | 178.3° |
| N42 | C15 | C14 | H14 | 65.2° | 60.7° |
| N42 | C15 | C14 | H14A | 174.8° | 179.1° |
| C15 | N42 | C16 | H16 | 77.1° | 70.0° |
| C15 | N42 | C16 | H16A | 42.9° | 50.0° |
| C22 | C17 | C16 | C18 | 179.2° | 179.8° |
| C17 | C22 | C21 | C20 | 0.2° | 0.5° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C22 | C17 | C16 | N42 | 120.6° | 90.0° |
| C22 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C22 | C21 | H21 | 179.8° | 180.0° |
| C22 | C17 | C16 | H16 | 0.5° | 150.0° |
| C22 | C17 | C16 | H16A | 119.5° | 30.0° |
| C22 | C17 | C18 | H18 | 179.9° | 179.9° |
| C16 | C17 | C22 | C21 | 179.2° | 180.0° |
| C17 | C16 | N42 | C11 | 67.6° | 65.8° |
| C17 | C16 | N42 | H16 | 120.0° | 120.0° |
| C17 | C16 | N42 | H16A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 179.1° | 179.8° |
| C16 | C17 | C22 | H22 | 0.8° | 0.0° |
| C17 | C16 | H16 | H16A | 118.3° | 120.0° |
| C16 | C17 | C18 | H18 | 0.9° | 0.3° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C22 | C21 | 0.0° | 0.2° |
| C18 | C17 | C16 | N42 | 60.3° | 89.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C22 | H22 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 179.7° | 30.2° |
| C18 | C17 | C16 | H16A | 59.7° | 150.3° |
| C17 | C18 | C19 | H19 | 180.0° | 179.7° |
| C21 | C20 | C19 | C25 | 179.6° | 179.5° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| C21 | C20 | C25 | C24 | 59.7° | 45.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.3° |
| C21 | C20 | C25 | N26 | 119.3° | 135.0° |
| C20 | C21 | C22 | H22 | 179.9° | 179.5° |
| C21 | C20 | C19 | H19 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.5° |
| C19 | C20 | C25 | C24 | 120.6° | 135.5° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C19 | C20 | C25 | N26 | 60.4° | 44.5° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C25 | C20 | C21 | C22 | 179.9° | 180.0° |
| C20 | C25 | C24 | N23 | 179.0° | 179.9° |
| C20 | C25 | C24 | N26 | 179.0° | 180.0° |
| C20 | C25 | C24 | C36 | 0.4° | 0.3° |
| C25 | C20 | C19 | C18 | 179.8° | 179.8° |
| C20 | C25 | N26 | C27 | 179.0° | 179.9° |
| C25 | C20 | C21 | H21 | 0.1° | 0.5° |
| C25 | C20 | C19 | H19 | 0.2° | 0.5° |
| N23 | C24 | C25 | C36 | 179.4° | 179.6° |
| N23 | C24 | C25 | N26 | 0.1° | 0.1° |
| C24 | N23 | C32 | C27 | 0.2° | 0.1° |
| C24 | N23 | C32 | C31 | 179.7° | 180.0° |
| N23 | C24 | C36 | C37 | 50.2° | 44.7° |
| N23 | C24 | C36 | C41 | 129.6° | 135.1° |
| C25 | C24 | N23 | C32 | 0.2° | 0.1° |
| C24 | C25 | N26 | C27 | 0.1° | 0.1° |
| C25 | C24 | C36 | C37 | 129.2° | 135.0° |
| C25 | C24 | C36 | C41 | 50.9° | 45.2° |
| C36 | C24 | N23 | C32 | 179.3° | 179.7° |
| C36 | C24 | C25 | N26 | 179.4° | 179.7° |
| C24 | C36 | C37 | C41 | 179.8° | 179.8° |
| C24 | C36 | C37 | C38 | 179.9° | 180.0° |
| C24 | C36 | C41 | C40 | 179.9° | 179.8° |
| C24 | C36 | C37 | H37 | 0.1° | 0.0° |
| C24 | C36 | C41 | H41 | 0.1° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C32 | N23 | 179.9° | 180.0° |
| C28 | C27 | N26 | C25 | 179.7° | 180.0° |
| C28 | C27 | N26 | C32 | 179.8° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | N34 | 179.8° | 179.9° |
| C28 | C27 | C32 | C31 | 0.0° | 0.1° |
| C29 | C28 | C27 | N26 | 179.6° | 179.9° |
| C29 | C28 | C27 | C32 | 0.2° | 0.1° |
| C28 | C29 | C30 | N34 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C28 | C29 | C30 | N35 | 180.0° | 180.0° |
| C28 | C29 | N34 | C33 | 180.0° | 179.9° |
| C28 | C29 | N34 | HN34 | 0.0° | 0.0° |
| N2 | C1 | N5 | O10 | 179.9° | 180.0° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| N5 | C1 | N2 | C3 | 0.0° | 0.0° |
| C1 | N5 | C13 | H13 | 164.4° | 179.9° |
| N5 | C1 | N2 | HN2 | 180.0° | 179.9° |
| O10 | C1 | N2 | C3 | 179.9° | 180.0° |
| O10 | C1 | N2 | HN2 | 0.1° | 0.1° |
| N2 | C3 | C6 | H6 | 0.0° | 0.5° |
| C12 | C11 | N42 | H11 | 120.0° | 120.0° |
| C12 | C11 | N42 | H11A | 120.0° | 119.9° |
| C12 | C11 | N42 | C16 | 178.3° | 174.2° |
| C11 | C12 | C13 | H13 | 63.6° | 62.3° |
| C12 | C11 | H11 | H11A | 118.7° | 119.9° |
| C11 | C12 | H12 | H12A | 119.1° | 120.1° |
| C11 | N42 | C15 | H15 | 172.7° | 178.2° |
| C11 | N42 | C15 | H15A | 67.2° | 58.3° |
| N42 | C11 | H11 | H11A | 118.8° | 120.0° |
| N42 | C11 | C12 | H12 | 169.3° | 179.1° |
| N42 | C11 | C12 | H12A | 70.7° | 60.7° |
| C11 | N42 | C16 | H16 | 52.4° | 54.2° |
| C11 | N42 | C16 | H16A | 172.4° | 174.2° |
| C16 | N42 | C15 | H15 | 58.1° | 54.2° |
| C16 | N42 | C15 | H15A | 62.0° | 65.8° |
| C16 | N42 | C11 | H11 | 58.4° | 65.8° |
| C16 | N42 | C11 | H11A | 61.7° | 54.2° |
| N42 | C16 | H16 | H16A | 118.3° | 120.0° |
| N23 | C32 | C27 | N26 | 0.1° | 0.1° |
| N23 | C32 | C27 | C31 | 179.9° | 179.9° |
| N23 | C32 | C31 | C30 | 179.8° | 180.0° |
| N23 | C32 | C31 | H31 | 0.2° | 0.0° |
| C25 | N26 | C27 | C32 | 0.1° | 0.1° |
| N26 | C27 | C32 | C31 | 179.8° | 180.0° |
| N26 | C27 | C28 | H28 | 0.4° | 0.1° |
| C27 | C32 | C31 | C30 | 0.1° | 0.2° |
| C32 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C32 | C31 | H31 | 179.9° | 179.9° |
| C29 | C30 | C31 | N35 | 179.8° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C30 | C29 | N34 | C33 | 0.0° | 0.0° |
| C29 | C30 | N35 | C33 | 0.1° | 0.0° |
| C30 | C29 | C28 | H28 | 179.8° | 180.0° |
| C29 | C30 | C31 | H31 | 180.0° | 180.0° |
| C30 | C29 | N34 | HN34 | 180.0° | 179.9° |
| N34 | C29 | C30 | C31 | 179.9° | 179.9° |
| N34 | C29 | C30 | N35 | 0.1° | 0.0° |
| C29 | N34 | C33 | HN34 | 180.0° | 180.0° |
| C29 | N34 | C33 | N35 | 0.0° | 0.0° |
| N34 | C29 | C28 | H28 | 0.2° | 0.1° |
| C29 | N34 | C33 | H33 | 180.0° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C31 | C30 | N35 | C33 | 179.9° | 179.9° |
| N35 | C30 | C31 | C32 | 179.8° | 180.0° |
| C30 | N35 | C33 | N34 | 0.1° | 0.0° |
| N35 | C30 | C31 | H31 | 0.2° | 0.0° |
| C30 | N35 | C33 | H33 | 179.9° | 180.0° |
| N34 | C33 | N35 | H33 | 180.0° | 180.0° |
| N35 | C33 | N34 | HN34 | 180.0° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C37 | C36 | C41 | C40 | 0.1° | 0.4° |
| C36 | C37 | C38 | H38 | 180.0° | 179.9° |
| C37 | C36 | C41 | H41 | 179.9° | 179.7° |
| C41 | C36 | C37 | C38 | 0.1° | 0.2° |
| C36 | C41 | C40 | C39 | 0.1° | 0.5° |
| C36 | C41 | C40 | H41 | 180.0° | 179.9° |
| C41 | C36 | C37 | H37 | 179.9° | 179.8° |
| C36 | C41 | C40 | H40 | 179.9° | 179.7° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.2° |
| C39 | C38 | C37 | H37 | 180.0° | 179.9° |
| C38 | C39 | C40 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | H40 | 180.0° | 179.8° |
| C40 | C39 | C38 | H38 | 180.0° | 179.9° |
| C39 | C40 | C41 | H41 | 179.9° | 179.7° |
| C41 | C40 | C39 | H39 | 180.0° | 179.7° |
| H6 | C6 | C7 | H7 | 0.1° | 0.4° |
| H7 | C7 | C8 | H8 | 0.1° | 0.4° |
| H8 | C8 | C9 | H9 | 0.1° | 0.3° |
| H13 | C13 | C12 | H12 | 56.5° | 57.6° |
| H13 | C13 | C12 | H12A | 176.4° | 177.8° |
| H13 | C13 | C14 | H14 | 179.9° | 177.8° |
| H13 | C13 | C14 | H14A | 59.9° | 57.6° |
| H15 | C15 | C14 | H14 | 54.8° | 59.2° |
| H15 | C15 | C14 | H14A | 65.2° | 60.9° |
| H15A | C15 | C14 | H14 | 174.8° | 179.3° |
| H15A | C15 | C14 | H14A | 54.8° | 59.1° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| H11 | C11 | C12 | H12 | 49.3° | 59.1° |
| H11 | C11 | C12 | H12A | 169.3° | 179.2° |
| H11A | C11 | C12 | H12 | 70.7° | 60.9° |
| H11A | C11 | C12 | H12A | 49.3° | 59.2° |
| H18 | C18 | C19 | H19 | 0.0° | 0.3° |
| H33 | C33 | N34 | HN34 | 0.0° | 0.1° |
| H37 | C37 | C38 | H38 | 0.0° | 0.0° |
| H38 | C38 | C39 | H39 | 0.0° | 0.1° |
| H39 | C39 | C40 | H40 | 0.0° | 0.1° |
| H40 | C40 | C41 | H41 | 0.1° | 0.2° |
