YMX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.32Å | Aromatic |
| C1 | C41 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.28Å | Aromatic |
| C2 | C29 | sing | 1.41Å | 1.32Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.30Å | Aromatic |
| N4 | C5 | doub | 1.31Å | 1.28Å | Aromatic |
| C5 | N6 | sing | 1.40Å | 1.34Å | |
| C5 | C29 | sing | 1.46Å | 1.35Å | Aromatic |
| N6 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | O8 | doub | 1.22Å | 1.20Å | |
| C7 | C9 | sing | 1.47Å | 1.41Å | |
| C9 | C10 | doub | 1.40Å | 1.36Å | Aromatic |
| C9 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.35Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | N13 | sing | 1.39Å | 1.30Å | |
| C12 | C20 | sing | 1.39Å | 1.35Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.43Å | |
| N13 | C19 | sing | 1.47Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C15 | N16 | sing | 1.47Å | 1.42Å | |
| N16 | C17 | sing | 1.47Å | 1.42Å | |
| N16 | C18 | sing | 1.47Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.47Å | |
| C20 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | N22 | sing | 1.39Å | 1.30Å | |
| N22 | C23 | sing | 1.46Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.44Å | |
| C23 | C28 | sing | 1.53Å | 1.44Å | |
| C24 | C25 | sing | 1.53Å | 1.47Å | |
| C25 | O26 | sing | 1.43Å | 1.31Å | |
| O26 | C27 | sing | 1.43Å | 1.39Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | doub | 1.40Å | 1.32Å | Aromatic |
| C30 | C31 | sing | 1.37Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.38Å | |
| C31 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.41Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | F36 | sing | 1.35Å | 1.05Å | |
| C35 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | F39 | sing | 1.35Å | 1.03Å | |
| C38 | C40 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | 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 | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C41 | 121.0° | 119.8° |
| C1 | C2 | N3 | 131.6° | 133.8° |
| C1 | C2 | C29 | 122.0° | 119.4° |
| C2 | C1 | H1 | 119.5° | 120.1° |
| C1 | C41 | C31 | 117.7° | 120.8° |
| C41 | C1 | H1 | 119.5° | 120.1° |
| C1 | C41 | H41 | 121.1° | 119.6° |
| N3 | C2 | C29 | 106.4° | 106.8° |
| C2 | N3 | N4 | 110.5° | 109.2° |
| C2 | N3 | H3 | 124.7° | 125.4° |
| C2 | C29 | C5 | 107.7° | 106.3° |
| C2 | C29 | C30 | 118.7° | 119.7° |
| N3 | N4 | C5 | 108.6° | 110.0° |
| N4 | N3 | H3 | 124.8° | 125.4° |
| N4 | C5 | N6 | 117.4° | 126.1° |
| N4 | C5 | C29 | 106.7° | 107.7° |
| N6 | C5 | C29 | 135.7° | 126.2° |
| C5 | N6 | C7 | 125.5° | 120.0° |
| C5 | N6 | H6 | 117.2° | 120.0° |
| C5 | C29 | C30 | 133.6° | 134.0° |
| N6 | C7 | O8 | 123.5° | 120.0° |
| N6 | C7 | C9 | 115.5° | 120.0° |
| C7 | N6 | H6 | 117.2° | 120.0° |
| O8 | C7 | C9 | 120.8° | 120.0° |
| C7 | C9 | C10 | 120.6° | 120.2° |
| C7 | C9 | C21 | 125.7° | 120.2° |
| C10 | C9 | C21 | 113.7° | 119.7° |
| C9 | C10 | C11 | 124.8° | 120.1° |
| C9 | C10 | H10 | 117.6° | 119.9° |
| C9 | C21 | C20 | 122.7° | 119.6° |
| C9 | C21 | N22 | 117.9° | 120.1° |
| C10 | C11 | C12 | 119.9° | 120.4° |
| C11 | C10 | H10 | 117.5° | 119.9° |
| C10 | C11 | H11 | 120.0° | 119.8° |
| C11 | C12 | N13 | 118.5° | 119.9° |
| C11 | C12 | C20 | 118.6° | 120.2° |
| C12 | C11 | H11 | 120.1° | 119.8° |
| N13 | C12 | C20 | 122.8° | 119.9° |
| C12 | N13 | C14 | 113.8° | 111.0° |
| C12 | N13 | C19 | 113.9° | 111.0° |
| C12 | C20 | C21 | 120.2° | 119.9° |
| C12 | C20 | H20 | 119.9° | 120.0° |
| C14 | N13 | C19 | 105.1° | 110.9° |
| N13 | C14 | C15 | 111.4° | 109.4° |
| N13 | C14 | H14 | 109.0° | 109.5° |
| N13 | C14 | H14A | 109.0° | 109.5° |
| N13 | C19 | C18 | 105.7° | 109.4° |
| N13 | C19 | H19 | 110.4° | 109.5° |
| N13 | C19 | H19A | 110.4° | 109.5° |
| C14 | C15 | N16 | 109.8° | 109.4° |
| C15 | C14 | H14 | 109.0° | 109.5° |
| C15 | C14 | H14A | 109.0° | 109.5° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.5° |
| C15 | N16 | C17 | 113.6° | 111.1° |
| C15 | N16 | C18 | 104.0° | 110.8° |
| N16 | C15 | H15 | 109.4° | 109.5° |
| N16 | C15 | H15A | 109.4° | 109.5° |
| C17 | N16 | C18 | 104.6° | 111.0° |
| N16 | C17 | H17 | 109.5° | 109.5° |
| N16 | C17 | H17A | 109.5° | 109.5° |
| N16 | C17 | H17B | 109.4° | 109.5° |
| N16 | C18 | C19 | 107.9° | 109.4° |
| N16 | C18 | H18 | 109.8° | 109.5° |
| N16 | C18 | H18A | 109.9° | 109.5° |
| C19 | C18 | H18 | 109.9° | 109.5° |
| C19 | C18 | H18A | 109.9° | 109.5° |
| C18 | C19 | H19 | 110.4° | 109.5° |
| C18 | C19 | H19A | 110.4° | 109.5° |
| C20 | C21 | N22 | 119.4° | 120.2° |
| C21 | C20 | H20 | 119.9° | 120.1° |
| C21 | N22 | C23 | 123.6° | 120.0° |
| C21 | N22 | HN22 | 105.8° | 120.0° |
| N22 | C23 | C24 | 107.0° | 109.6° |
| N22 | C23 | C28 | 107.9° | 109.6° |
| C23 | N22 | HN22 | 105.8° | 120.0° |
| N22 | C23 | H23 | 112.4° | 109.5° |
| C24 | C23 | C28 | 104.9° | 109.1° |
| C23 | C24 | C25 | 108.2° | 109.2° |
| C24 | C23 | H23 | 112.1° | 109.5° |
| C23 | C24 | H24 | 109.8° | 109.5° |
| C23 | C24 | H24A | 109.8° | 109.5° |
| C23 | C28 | C27 | 109.6° | 109.2° |
| C28 | C23 | H23 | 112.0° | 109.6° |
| C23 | C28 | H28 | 109.4° | 109.5° |
| C23 | C28 | H28A | 109.4° | 109.6° |
| C24 | C25 | O26 | 108.5° | 109.4° |
| C25 | C24 | H24 | 109.8° | 109.5° |
| C25 | C24 | H24A | 109.8° | 109.5° |
| C24 | C25 | H25 | 109.7° | 109.5° |
| C24 | C25 | H25A | 109.7° | 109.4° |
| C25 | O26 | C27 | 104.5° | 114.1° |
| O26 | C25 | H25 | 109.7° | 109.5° |
| O26 | C25 | H25A | 109.7° | 109.5° |
| O26 | C27 | C28 | 112.9° | 109.4° |
| O26 | C27 | H27 | 108.6° | 109.5° |
| O26 | C27 | H27A | 108.6° | 109.5° |
| C28 | C27 | H27 | 108.6° | 109.5° |
| C28 | C27 | H27A | 108.6° | 109.5° |
| C27 | C28 | H28 | 109.4° | 109.5° |
| C27 | C28 | H28A | 109.4° | 109.5° |
| C29 | C30 | C31 | 122.7° | 119.7° |
| C29 | C30 | H30 | 118.6° | 120.2° |
| C30 | C31 | C32 | 121.9° | 119.7° |
| C30 | C31 | C41 | 117.9° | 120.6° |
| C31 | C30 | H30 | 118.7° | 120.2° |
| C32 | C31 | C41 | 120.3° | 119.7° |
| C31 | C32 | C33 | 110.8° | 109.5° |
| C31 | C32 | H32 | 109.1° | 109.5° |
| C31 | C32 | H32A | 109.1° | 109.5° |
| C31 | C41 | H41 | 121.2° | 119.6° |
| C32 | C33 | C34 | 120.8° | 120.0° |
| C32 | C33 | C40 | 122.0° | 119.9° |
| C33 | C32 | H32 | 109.1° | 109.5° |
| C33 | C32 | H32A | 109.1° | 109.5° |
| C34 | C33 | C40 | 117.2° | 120.1° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C33 | C34 | H34 | 119.9° | 119.9° |
| C33 | C40 | C38 | 124.6° | 120.0° |
| C33 | C40 | H40 | 117.7° | 120.0° |
| C34 | C35 | F36 | 118.5° | 120.0° |
| C34 | C35 | C37 | 120.2° | 120.0° |
| C35 | C34 | H34 | 120.0° | 120.0° |
| F36 | C35 | C37 | 121.3° | 120.0° |
| C35 | C37 | C38 | 121.5° | 119.9° |
| C35 | C37 | H37 | 119.2° | 120.0° |
| C37 | C38 | F39 | 122.6° | 120.0° |
| C37 | C38 | C40 | 116.3° | 120.0° |
| C38 | C37 | H37 | 119.2° | 120.1° |
| F39 | C38 | C40 | 121.0° | 120.0° |
| C38 | C40 | H40 | 117.7° | 120.0° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C41 | H1 | 180.0° | 179.8° |
| C1 | C2 | N3 | C29 | 178.8° | 180.0° |
| C1 | C2 | N3 | N4 | 179.6° | 180.0° |
| C1 | C2 | C29 | C5 | 178.1° | 180.0° |
| C1 | C2 | C29 | C30 | 0.6° | 0.1° |
| C2 | C1 | C41 | C31 | 1.5° | 0.0° |
| C2 | C1 | C41 | H41 | 178.6° | 180.0° |
| C1 | C2 | N3 | H3 | 0.4° | 0.0° |
| C41 | C1 | C2 | N3 | 179.8° | 180.0° |
| C41 | C1 | C2 | C29 | 1.6° | 0.0° |
| C1 | C41 | C31 | C30 | 0.4° | 0.0° |
| C1 | C41 | C31 | C32 | 178.8° | 180.0° |
| C1 | C41 | C31 | H41 | 180.0° | 180.0° |
| C2 | N3 | N4 | H3 | 180.0° | 179.9° |
| C2 | N3 | N4 | C5 | 2.2° | 0.0° |
| N3 | C2 | C29 | C5 | 0.8° | 0.0° |
| N3 | C2 | C29 | C30 | 179.5° | 179.9° |
| N3 | C2 | C1 | H1 | 0.2° | 0.3° |
| C29 | C2 | N3 | N4 | 0.9° | 0.0° |
| C2 | C29 | C5 | N4 | 2.1° | 0.0° |
| C2 | C29 | C5 | N6 | 176.3° | 180.0° |
| C2 | C29 | C5 | C30 | 178.5° | 179.9° |
| C2 | C29 | C30 | C31 | 0.5° | 0.1° |
| C29 | C2 | C1 | H1 | 178.4° | 179.8° |
| C2 | C29 | C30 | H30 | 179.5° | 180.0° |
| C29 | C2 | N3 | H3 | 179.1° | 180.0° |
| N3 | N4 | C5 | N6 | 178.1° | 180.0° |
| N3 | N4 | C5 | C29 | 2.6° | 0.0° |
| N4 | C5 | N6 | C29 | 173.8° | 180.0° |
| N4 | C5 | N6 | C7 | 151.7° | 0.1° |
| N4 | C5 | C29 | C30 | 179.4° | 179.9° |
| N4 | C5 | N6 | H6 | 28.3° | 180.0° |
| C5 | N4 | N3 | H3 | 177.8° | 180.0° |
| C5 | N6 | C7 | H6 | 180.0° | 180.0° |
| C5 | N6 | C7 | O8 | 11.7° | 0.0° |
| C5 | N6 | C7 | C9 | 173.8° | 180.0° |
| N6 | C5 | C29 | C30 | 5.2° | 0.1° |
| C29 | C5 | N6 | C7 | 34.5° | 180.0° |
| C5 | C29 | C30 | C31 | 178.8° | 180.0° |
| C5 | C29 | C30 | H30 | 1.2° | 0.1° |
| C29 | C5 | N6 | H6 | 145.4° | 0.0° |
| N6 | C7 | O8 | C9 | 174.2° | 179.9° |
| N6 | C7 | C9 | C10 | 30.3° | 6.0° |
| N6 | C7 | C9 | C21 | 151.3° | 173.8° |
| O8 | C7 | C9 | C10 | 144.3° | 174.1° |
| O8 | C7 | C9 | C21 | 34.1° | 6.1° |
| O8 | C7 | N6 | H6 | 168.3° | 180.0° |
| C7 | C9 | C10 | C21 | 178.6° | 179.8° |
| C7 | C9 | C10 | C11 | 179.9° | 180.0° |
| C7 | C9 | C21 | C20 | 179.2° | 179.7° |
| C7 | C9 | C21 | N22 | 0.1° | 0.0° |
| C7 | C9 | C10 | H10 | 0.1° | 0.1° |
| C9 | C7 | N6 | H6 | 6.2° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | C9 | C21 | C20 | 0.6° | 0.5° |
| C10 | C9 | C21 | N22 | 178.6° | 179.8° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C21 | C9 | C10 | C11 | 1.5° | 0.2° |
| C9 | C21 | C20 | C12 | 1.3° | 0.5° |
| C9 | C21 | C20 | N22 | 179.3° | 179.7° |
| C9 | C21 | N22 | C23 | 170.7° | 174.5° |
| C21 | C9 | C10 | H10 | 178.5° | 179.7° |
| C9 | C21 | C20 | H20 | 178.7° | 179.7° |
| C9 | C21 | N22 | HN22 | 48.8° | 5.5° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 178.0° | 180.0° |
| C10 | C11 | C12 | C20 | 1.6° | 0.0° |
| C11 | C12 | N13 | C20 | 176.2° | 179.9° |
| C11 | C12 | N13 | C14 | 170.8° | 0.1° |
| C11 | C12 | N13 | C19 | 68.8° | 123.8° |
| C11 | C12 | C20 | C21 | 2.4° | 0.3° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| C11 | C12 | C20 | H20 | 177.6° | 180.0° |
| C12 | N13 | C14 | C19 | 125.2° | 123.9° |
| C12 | N13 | C14 | C15 | 175.5° | 176.8° |
| C12 | N13 | C19 | C18 | 169.1° | 176.8° |
| N13 | C12 | C20 | C21 | 178.6° | 179.8° |
| N13 | C12 | C11 | H11 | 2.0° | 0.1° |
| C12 | N13 | C14 | H14 | 64.2° | 63.3° |
| C12 | N13 | C14 | H14A | 55.2° | 56.8° |
| C12 | N13 | C19 | H19 | 49.7° | 56.8° |
| C12 | N13 | C19 | H19A | 71.5° | 63.2° |
| N13 | C12 | C20 | H20 | 1.4° | 0.0° |
| C20 | C12 | N13 | C14 | 5.4° | 180.0° |
| C20 | C12 | N13 | C19 | 115.0° | 56.2° |
| C12 | C20 | C21 | H20 | 180.0° | 179.7° |
| C12 | C20 | C21 | N22 | 179.5° | 179.8° |
| C20 | C12 | C11 | H11 | 178.4° | 180.0° |
| N13 | C14 | C15 | H14 | 120.3° | 119.9° |
| N13 | C14 | C15 | H14A | 120.3° | 120.0° |
| N13 | C14 | C15 | N16 | 58.0° | 58.4° |
| C14 | N13 | C19 | C18 | 65.7° | 59.3° |
| N13 | C14 | H14 | H14A | 119.1° | 120.1° |
| N13 | C14 | C15 | H15 | 178.0° | 178.4° |
| N13 | C14 | C15 | H15A | 62.0° | 61.6° |
| C14 | N13 | C19 | H19 | 174.9° | 179.3° |
| C14 | N13 | C19 | H19A | 53.7° | 60.7° |
| C19 | N13 | C14 | C15 | 59.3° | 59.3° |
| N13 | C19 | C18 | N16 | 74.7° | 58.4° |
| N13 | C19 | C18 | H19 | 119.4° | 120.0° |
| N13 | C19 | C18 | H19A | 119.4° | 120.0° |
| C19 | N13 | C14 | H14 | 61.0° | 60.7° |
| C19 | N13 | C14 | H14A | 179.6° | 179.3° |
| N13 | C19 | C18 | H18 | 165.5° | 178.4° |
| N13 | C19 | C18 | H18A | 45.0° | 61.6° |
| N13 | C19 | H19 | H19A | 121.8° | 120.0° |
| C14 | C15 | N16 | H15 | 120.1° | 120.0° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | N16 | C17 | 173.1° | 176.8° |
| C14 | C15 | N16 | C18 | 60.0° | 59.3° |
| C15 | C14 | H14 | H14A | 119.1° | 120.1° |
| C14 | C15 | H15 | H15A | 119.9° | 120.1° |
| C15 | N16 | C17 | C18 | 112.7° | 123.8° |
| C15 | N16 | C18 | C19 | 69.3° | 59.3° |
| N16 | C15 | C14 | H14 | 62.3° | 61.5° |
| N16 | C15 | C14 | H14A | 178.3° | 178.4° |
| N16 | C15 | H15 | H15A | 119.8° | 120.0° |
| C15 | N16 | C17 | H17 | 180.0° | 60.0° |
| C15 | N16 | C17 | H17A | 60.0° | 179.9° |
| C15 | N16 | C17 | H17B | 60.0° | 60.0° |
| C15 | N16 | C18 | H18 | 171.0° | 179.3° |
| C15 | N16 | C18 | H18A | 50.5° | 60.7° |
| C17 | N16 | C18 | C19 | 171.3° | 176.8° |
| C17 | N16 | C15 | H15 | 66.9° | 56.8° |
| C17 | N16 | C15 | H15A | 53.0° | 63.2° |
| N16 | C17 | H17 | H17A | 120.0° | 120.1° |
| N16 | C17 | H17 | H17B | 120.0° | 120.0° |
| N16 | C17 | H17A | H17B | 120.0° | 120.1° |
| C17 | N16 | C18 | H18 | 51.6° | 56.8° |
| C17 | N16 | C18 | H18A | 68.9° | 63.2° |
| N16 | C18 | C19 | H18 | 119.7° | 120.0° |
| N16 | C18 | C19 | H18A | 119.8° | 119.9° |
| C18 | N16 | C15 | H15 | 180.0° | 179.4° |
| C18 | N16 | C15 | H15A | 60.1° | 60.7° |
| C18 | N16 | C17 | H17 | 67.3° | 63.8° |
| C18 | N16 | C17 | H17A | 172.7° | 56.1° |
| C18 | N16 | C17 | H17B | 52.7° | 176.2° |
| N16 | C18 | H18 | H18A | 120.7° | 120.0° |
| N16 | C18 | C19 | H19 | 165.8° | 178.4° |
| N16 | C18 | C19 | H19A | 44.7° | 61.6° |
| C19 | C18 | H18 | H18A | 120.7° | 120.1° |
| C18 | C19 | H19 | H19A | 121.8° | 120.1° |
| C20 | C21 | N22 | C23 | 10.0° | 5.8° |
| C20 | C21 | N22 | HN22 | 131.9° | 174.2° |
| C21 | N22 | C23 | HN22 | 121.9° | 180.0° |
| C21 | N22 | C23 | C24 | 117.6° | 155.0° |
| C21 | N22 | C23 | C28 | 130.0° | 85.4° |
| N22 | C21 | C20 | H20 | 0.6° | 0.0° |
| C21 | N22 | C23 | H23 | 6.0° | 34.8° |
| N22 | C23 | C24 | C28 | 114.4° | 119.9° |
| N22 | C23 | C24 | H23 | 123.8° | 120.1° |
| N22 | C23 | C28 | H23 | 124.3° | 120.2° |
| N22 | C23 | C24 | C25 | 176.6° | 176.9° |
| N22 | C23 | C28 | C27 | 166.6° | 176.9° |
| N22 | C23 | C24 | H24 | 63.6° | 63.2° |
| N22 | C23 | C24 | H24A | 56.8° | 56.9° |
| N22 | C23 | C28 | H28 | 46.6° | 57.0° |
| N22 | C23 | C28 | H28A | 73.4° | 63.2° |
| C24 | C23 | C28 | H23 | 121.9° | 119.9° |
| C23 | C24 | C25 | H24 | 119.8° | 119.9° |
| C23 | C24 | C25 | H24A | 119.8° | 119.9° |
| C23 | C24 | C25 | O26 | 74.9° | 57.6° |
| C24 | C23 | C28 | C27 | 52.7° | 56.9° |
| C24 | C23 | N22 | HN22 | 4.4° | 25.0° |
| C23 | C24 | H24 | H24A | 120.6° | 120.1° |
| C23 | C24 | C25 | H25 | 44.9° | 62.4° |
| C23 | C24 | C25 | H25A | 165.2° | 177.6° |
| C24 | C23 | C28 | H28 | 67.3° | 63.0° |
| C24 | C23 | C28 | H28A | 172.8° | 176.9° |
| C28 | C23 | C24 | C25 | 62.2° | 56.9° |
| C23 | C28 | C27 | O26 | 54.8° | 57.6° |
| C23 | C28 | C27 | H28 | 120.0° | 119.9° |
| C23 | C28 | C27 | H28A | 120.0° | 120.0° |
| C28 | C23 | N22 | HN22 | 108.0° | 94.6° |
| C28 | C23 | C24 | H24 | 178.0° | 176.9° |
| C28 | C23 | C24 | H24A | 57.6° | 63.0° |
| C23 | C28 | C27 | H27 | 65.7° | 62.4° |
| C23 | C28 | C27 | H27A | 175.3° | 177.6° |
| C23 | C28 | H28 | H28A | 119.9° | 120.2° |
| C24 | C25 | O26 | H25 | 119.8° | 120.0° |
| C24 | C25 | O26 | H25A | 119.8° | 120.0° |
| C24 | C25 | O26 | C27 | 69.8° | 61.2° |
| C25 | C24 | C23 | H23 | 59.6° | 63.0° |
| C25 | C24 | H24 | H24A | 120.6° | 120.2° |
| C24 | C25 | H25 | H25A | 120.4° | 120.0° |
| C25 | O26 | C27 | C28 | 61.3° | 61.1° |
| O26 | C25 | C24 | H24 | 165.2° | 177.5° |
| O26 | C25 | C24 | H24A | 44.9° | 62.3° |
| O26 | C25 | H25 | H25A | 120.5° | 120.1° |
| C25 | O26 | C27 | H27 | 59.3° | 58.8° |
| C25 | O26 | C27 | H27A | 178.3° | 178.9° |
| O26 | C27 | C28 | H27 | 120.5° | 119.9° |
| O26 | C27 | C28 | H27A | 120.5° | 120.0° |
| C27 | O26 | C25 | H25 | 50.1° | 58.8° |
| C27 | O26 | C25 | H25A | 170.4° | 178.9° |
| O26 | C27 | H27 | H27A | 118.5° | 120.1° |
| O26 | C27 | C28 | H28 | 65.2° | 62.3° |
| O26 | C27 | C28 | H28A | 174.8° | 177.5° |
| C27 | C28 | C23 | H23 | 69.2° | 63.0° |
| C28 | C27 | H27 | H27A | 118.4° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 120.2° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 177.8° | 180.0° |
| C29 | C30 | C31 | C41 | 0.6° | 0.0° |
| C30 | C31 | C32 | C41 | 178.3° | 180.0° |
| C30 | C31 | C32 | C33 | 66.0° | 90.0° |
| C30 | C31 | C32 | H32 | 173.8° | 150.0° |
| C30 | C31 | C32 | H32A | 54.2° | 30.0° |
| C30 | C31 | C41 | H41 | 179.6° | 180.0° |
| C31 | C32 | C33 | H32 | 120.2° | 120.0° |
| C31 | C32 | C33 | H32A | 120.2° | 120.0° |
| C31 | C32 | C33 | C34 | 107.6° | 90.0° |
| C31 | C32 | C33 | C40 | 71.9° | 90.3° |
| C32 | C31 | C30 | H30 | 2.2° | 0.0° |
| C31 | C32 | H32 | H32A | 119.4° | 120.0° |
| C32 | C31 | C41 | H41 | 1.2° | 0.0° |
| C41 | C31 | C32 | C33 | 112.3° | 90.0° |
| C31 | C41 | C1 | H1 | 178.5° | 179.8° |
| C41 | C31 | C30 | H30 | 179.5° | 180.0° |
| C41 | C31 | C32 | H32 | 7.9° | 30.0° |
| C41 | C31 | C32 | H32A | 127.5° | 150.0° |
| C32 | C33 | C34 | C40 | 179.5° | 179.7° |
| C32 | C33 | C34 | C35 | 179.9° | 180.0° |
| C32 | C33 | C40 | C38 | 179.3° | 179.8° |
| C33 | C32 | H32 | H32A | 119.4° | 120.0° |
| C32 | C33 | C34 | H34 | 0.1° | 0.0° |
| C32 | C33 | C40 | H40 | 0.7° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | F36 | 179.6° | 180.0° |
| C33 | C34 | C35 | C37 | 0.1° | 0.0° |
| C34 | C33 | C40 | C38 | 1.2° | 0.5° |
| C34 | C33 | C32 | H32 | 132.2° | 30.0° |
| C34 | C33 | C32 | H32A | 12.6° | 150.0° |
| C34 | C33 | C40 | H40 | 178.9° | 179.7° |
| C40 | C33 | C34 | C35 | 0.4° | 0.3° |
| C33 | C40 | C38 | C37 | 1.4° | 0.5° |
| C33 | C40 | C38 | F39 | 179.1° | 179.8° |
| C33 | C40 | C38 | H40 | 180.0° | 179.8° |
| C40 | C33 | C32 | H32 | 48.3° | 149.8° |
| C40 | C33 | C32 | H32A | 167.9° | 29.8° |
| C40 | C33 | C34 | H34 | 179.6° | 179.8° |
| C34 | C35 | F36 | C37 | 179.7° | 180.0° |
| C34 | C35 | C37 | C38 | 0.2° | 0.1° |
| C34 | C35 | C37 | H37 | 179.8° | 180.0° |
| F36 | C35 | C37 | C38 | 179.9° | 180.0° |
| F36 | C35 | C34 | H34 | 0.4° | 0.1° |
| F36 | C35 | C37 | H37 | 0.1° | 0.1° |
| C35 | C37 | C38 | H37 | 180.0° | 179.9° |
| C35 | C37 | C38 | F39 | 179.6° | 180.0° |
| C35 | C37 | C38 | C40 | 0.9° | 0.3° |
| C37 | C35 | C34 | H34 | 179.9° | 180.0° |
| C37 | C38 | F39 | C40 | 179.5° | 179.7° |
| C37 | C38 | C40 | H40 | 178.6° | 179.7° |
| F39 | C38 | C37 | H37 | 0.4° | 0.1° |
| F39 | C38 | C40 | H40 | 0.9° | 0.0° |
| C40 | C38 | C37 | H37 | 179.1° | 179.8° |
| H1 | C1 | C41 | H41 | 1.4° | 0.2° |
| H10 | C10 | C11 | H11 | 0.5° | 0.0° |
| H14 | C14 | C15 | H15 | 57.7° | 58.5° |
| H14 | C14 | C15 | H15A | 177.7° | 178.5° |
| H14A | C14 | C15 | H15 | 61.7° | 61.6° |
| H14A | C14 | C15 | H15A | 58.3° | 58.4° |
| H17 | C17 | H17A | H17B | 120.0° | 119.9° |
| H18 | C18 | C19 | H19 | 46.1° | 61.6° |
| H18 | C18 | C19 | H19A | 75.1° | 58.4° |
| H18A | C18 | C19 | H19 | 74.4° | 58.5° |
| H18A | C18 | C19 | H19A | 164.4° | 178.5° |
| HN22 | N22 | C23 | H23 | 127.9° | 145.2° |
| H23 | C23 | C24 | H24 | 60.2° | 57.0° |
| H23 | C23 | C24 | H24A | 179.4° | 177.1° |
| H23 | C23 | C28 | H28 | 170.8° | 177.2° |
| H23 | C23 | C28 | H28A | 50.9° | 57.0° |
| H24 | C24 | C25 | H25 | 74.9° | 57.5° |
| H24 | C24 | C25 | H25A | 45.4° | 62.5° |
| H24A | C24 | C25 | H25 | 164.7° | 177.7° |
| H24A | C24 | C25 | H25A | 75.0° | 57.7° |
| H27 | C27 | C28 | H28 | 174.3° | 177.8° |
| H27 | C27 | C28 | H28A | 54.3° | 57.6° |
| H27A | C27 | C28 | H28 | 55.3° | 57.7° |
| H27A | C27 | C28 | H28A | 64.7° | 62.4° |
