438
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | C7 | sing | 1.51Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C9 | sing | 1.48Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.39Å | 1.44Å | Aromatic |
| C11 | O15 | sing | 1.36Å | 1.39Å | |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O15 | C17 | sing | 1.36Å | 1.38Å | |
| N16 | C17 | doub | 1.32Å | 1.37Å | Aromatic |
| N16 | C21 | sing | 1.32Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | F22 | sing | 1.35Å | 1.35Å | |
| C19 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | N23 | sing | 1.40Å | 1.38Å | |
| C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | F24 | sing | 1.35Å | 1.35Å | |
| C21 | O25 | sing | 1.36Å | 1.40Å | |
| N23 | C38 | sing | 1.47Å | 1.50Å | |
| N23 | C41 | sing | 1.48Å | 1.49Å | |
| O25 | C26 | sing | 1.36Å | 1.39Å | |
| C26 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | C32 | sing | 1.41Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.44Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | N29 | sing | 1.39Å | 1.39Å | |
| C28 | C30 | doub | 1.39Å | 1.44Å | Aromatic |
| N29 | C36 | sing | 1.46Å | 1.49Å | |
| N29 | C37 | sing | 1.47Å | 1.49Å | |
| C30 | C31 | sing | 1.36Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.40Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.47Å | 1.56Å | |
| C33 | O34 | sing | 1.35Å | 1.43Å | |
| C33 | O35 | doub | 1.22Å | 1.25Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.54Å | 1.54Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.55Å | 1.53Å | |
| C39 | N42 | sing | 1.47Å | 1.52Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.55Å | 1.52Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| N42 | C43 | sing | 1.47Å | 1.48Å | |
| N42 | C44 | sing | 1.47Å | 1.49Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| O34 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | C7 | 109.7° | 109.5° |
| N1 | C2 | H2 | 109.4° | 109.5° |
| N1 | C2 | H2A | 109.4° | 109.4° |
| HN1 | N1 | HN1A | 109.4° | 111.1° |
| C7 | C2 | H2 | 109.4° | 109.4° |
| C7 | C2 | H2A | 109.4° | 109.5° |
| C2 | C7 | C6 | 119.8° | 120.0° |
| C2 | C7 | C8 | 120.3° | 119.9° |
| H2 | C2 | H2A | 109.6° | 109.5° |
| C4 | C3 | C8 | 118.3° | 119.7° |
| C4 | C3 | C9 | 121.1° | 120.2° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C8 | C3 | C9 | 120.6° | 120.1° |
| C3 | C8 | C7 | 120.8° | 119.8° |
| C3 | C8 | H8 | 119.6° | 120.1° |
| C3 | C9 | C10 | 119.8° | 120.1° |
| C3 | C9 | C14 | 121.8° | 120.1° |
| C5 | C4 | H4 | 119.7° | 120.1° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | C7 | 120.1° | 120.2° |
| C5 | C6 | H6 | 119.9° | 119.9° |
| C7 | C6 | H6 | 120.0° | 119.8° |
| C6 | C7 | C8 | 119.9° | 120.1° |
| C7 | C8 | H8 | 119.6° | 120.1° |
| C10 | C9 | C14 | 118.4° | 119.8° |
| C9 | C10 | C11 | 121.7° | 119.8° |
| C9 | C10 | H10 | 119.1° | 120.1° |
| C9 | C14 | C13 | 120.5° | 120.0° |
| C9 | C14 | H14 | 119.8° | 120.0° |
| C11 | C10 | H10 | 119.1° | 120.1° |
| C10 | C11 | C12 | 119.2° | 120.0° |
| C10 | C11 | O15 | 116.9° | 120.0° |
| C12 | C11 | O15 | 123.6° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C11 | O15 | C17 | 120.6° | 118.0° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | C14 | 120.2° | 120.2° |
| C12 | C13 | H13 | 119.9° | 119.9° |
| C14 | C13 | H13 | 119.9° | 119.9° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| O15 | C17 | N16 | 121.8° | 119.6° |
| O15 | C17 | C18 | 118.1° | 119.6° |
| C17 | N16 | C21 | 122.3° | 121.7° |
| N16 | C17 | C18 | 120.1° | 120.8° |
| N16 | C21 | C20 | 119.6° | 120.8° |
| N16 | C21 | O25 | 121.3° | 119.6° |
| C17 | C18 | C19 | 119.8° | 119.1° |
| C17 | C18 | F22 | 119.3° | 120.4° |
| C19 | C18 | F22 | 120.9° | 120.4° |
| C18 | C19 | C20 | 118.4° | 118.4° |
| C18 | C19 | N23 | 120.7° | 120.8° |
| C20 | C19 | N23 | 120.8° | 120.8° |
| C19 | C20 | C21 | 119.8° | 119.1° |
| C19 | C20 | F24 | 120.5° | 120.4° |
| C19 | N23 | C38 | 125.7° | 111.0° |
| C19 | N23 | C41 | 125.3° | 111.0° |
| C21 | C20 | F24 | 119.6° | 120.4° |
| C20 | C21 | O25 | 119.1° | 119.6° |
| C21 | O25 | C26 | 116.6° | 118.0° |
| C38 | N23 | C41 | 109.0° | 108.6° |
| N23 | C38 | C39 | 102.6° | 107.2° |
| N23 | C38 | H38 | 111.8° | 109.9° |
| N23 | C38 | H38A | 111.8° | 109.9° |
| N23 | C41 | C40 | 102.0° | 104.8° |
| N23 | C41 | H41 | 112.1° | 110.4° |
| N23 | C41 | H41A | 112.1° | 110.4° |
| O25 | C26 | C27 | 118.5° | 120.2° |
| O25 | C26 | C32 | 122.0° | 120.2° |
| C27 | C26 | C32 | 119.5° | 119.6° |
| C26 | C27 | C28 | 121.7° | 119.9° |
| C26 | C27 | H27 | 119.1° | 120.0° |
| C26 | C32 | C31 | 119.1° | 119.8° |
| C26 | C32 | C33 | 121.8° | 120.1° |
| C28 | C27 | H27 | 119.1° | 120.1° |
| C27 | C28 | N29 | 121.0° | 119.8° |
| C27 | C28 | C30 | 117.8° | 120.3° |
| N29 | C28 | C30 | 121.2° | 119.9° |
| C28 | N29 | C36 | 121.7° | 120.0° |
| C28 | N29 | C37 | 121.7° | 120.0° |
| C28 | C30 | C31 | 121.0° | 120.4° |
| C28 | C30 | H30 | 119.5° | 119.8° |
| C36 | N29 | C37 | 116.7° | 120.0° |
| N29 | C36 | H36 | 109.5° | 109.5° |
| N29 | C36 | H36A | 109.5° | 109.5° |
| N29 | C36 | H36B | 109.5° | 109.5° |
| N29 | C37 | H37 | 109.5° | 109.5° |
| N29 | C37 | H37A | 109.5° | 109.5° |
| N29 | C37 | H37B | 109.4° | 109.5° |
| C31 | C30 | H30 | 119.5° | 119.8° |
| C30 | C31 | C32 | 120.9° | 120.1° |
| C30 | C31 | H31 | 119.6° | 120.0° |
| C32 | C31 | H31 | 119.5° | 119.9° |
| C31 | C32 | C33 | 119.1° | 120.1° |
| C32 | C33 | O34 | 118.1° | 120.0° |
| C32 | C33 | O35 | 118.5° | 120.0° |
| O34 | C33 | O35 | 123.4° | 120.0° |
| C33 | O34 | H35 | 109.5° | 117.0° |
| H36 | C36 | H36A | 109.4° | 109.4° |
| H36 | C36 | H36B | 109.5° | 109.4° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.4° |
| C39 | C38 | H38 | 111.8° | 109.9° |
| C39 | C38 | H38A | 111.8° | 109.9° |
| C38 | C39 | C40 | 101.1° | 103.0° |
| C38 | C39 | N42 | 112.4° | 110.7° |
| C38 | C39 | H39 | 115.3° | 110.7° |
| H38 | C38 | H38A | 107.0° | 110.0° |
| C40 | C39 | N42 | 115.4° | 110.7° |
| C40 | C39 | H39 | 112.3° | 110.7° |
| C39 | C40 | C41 | 99.3° | 101.6° |
| C39 | C40 | H40 | 113.0° | 111.0° |
| C39 | C40 | H40A | 113.0° | 111.0° |
| N42 | C39 | H39 | 101.0° | 110.7° |
| C39 | N42 | C43 | 110.3° | 111.0° |
| C39 | N42 | C44 | 115.8° | 111.0° |
| C41 | C40 | H40 | 113.0° | 111.0° |
| C41 | C40 | H40A | 113.0° | 111.0° |
| C40 | C41 | H41 | 112.0° | 110.4° |
| C40 | C41 | H41A | 112.0° | 110.3° |
| H40 | C40 | H40A | 105.7° | 110.9° |
| H41 | C41 | H41A | 106.8° | 110.4° |
| C43 | N42 | C44 | 108.9° | 111.0° |
| N42 | C43 | H43 | 109.5° | 109.5° |
| N42 | C43 | H43A | 109.5° | 109.5° |
| N42 | C43 | H43B | 109.5° | 109.5° |
| N42 | C44 | H44 | 109.5° | 109.5° |
| N42 | C44 | H44A | 109.4° | 109.4° |
| N42 | C44 | H44B | 109.5° | 109.4° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| H43 | C43 | H43B | 109.4° | 109.4° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.5° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C2 | C7 | H2 | 120.0° | 120.0° |
| N1 | C2 | C7 | H2A | 120.0° | 120.0° |
| N1 | C2 | H2 | H2A | 119.9° | 120.0° |
| N1 | C2 | C7 | C6 | 124.6° | 90.0° |
| N1 | C2 | C7 | C8 | 55.8° | 90.0° |
| HN1 | N1 | C2 | C7 | 180.0° | 56.0° |
| HN1 | N1 | C2 | H2 | 60.0° | 176.0° |
| HN1 | N1 | C2 | H2A | 60.0° | 64.0° |
| HN1A | N1 | C2 | C7 | 60.0° | 179.9° |
| HN1A | N1 | C2 | H2 | 60.0° | 60.0° |
| HN1A | N1 | C2 | H2A | 180.0° | 60.0° |
| C7 | C2 | H2 | H2A | 119.9° | 120.0° |
| C2 | C7 | C8 | C3 | 179.4° | 180.0° |
| C2 | C7 | C6 | C5 | 179.6° | 180.0° |
| C2 | C7 | C6 | C8 | 179.6° | 180.0° |
| C2 | C7 | C6 | H6 | 0.4° | 0.0° |
| C2 | C7 | C8 | H8 | 0.5° | 0.0° |
| H2 | C2 | C7 | C6 | 4.6° | 30.0° |
| H2 | C2 | C7 | C8 | 175.8° | 150.0° |
| H2A | C2 | C7 | C6 | 115.4° | 150.0° |
| H2A | C2 | C7 | C8 | 64.2° | 30.0° |
| C4 | C3 | C8 | C9 | 179.4° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.0° |
| C4 | C3 | C8 | H8 | 179.8° | 180.0° |
| C4 | C3 | C9 | C10 | 148.9° | 0.0° |
| C4 | C3 | C9 | C14 | 30.9° | 179.7° |
| C8 | C3 | C4 | C5 | 0.2° | 0.1° |
| C8 | C3 | C4 | H4 | 179.8° | 179.9° |
| C3 | C8 | C7 | C6 | 0.2° | 0.0° |
| C3 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C3 | C9 | C10 | 30.4° | 179.7° |
| C8 | C3 | C9 | C14 | 149.7° | 0.6° |
| C9 | C3 | C4 | C5 | 179.2° | 179.8° |
| C9 | C3 | C4 | H4 | 0.8° | 0.3° |
| C9 | C3 | C8 | C7 | 179.1° | 179.7° |
| C9 | C3 | C8 | H8 | 0.9° | 0.3° |
| C3 | C9 | C10 | C14 | 179.9° | 179.7° |
| C3 | C9 | C10 | C11 | 179.5° | 180.0° |
| C3 | C9 | C10 | H10 | 0.5° | 0.1° |
| C3 | C9 | C14 | C13 | 180.0° | 179.7° |
| C3 | C9 | C14 | H14 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| H5 | C5 | C6 | C7 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C9 | C10 | C11 | O15 | 174.4° | 180.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.6° |
| C10 | C9 | C14 | H14 | 179.9° | 179.7° |
| C14 | C9 | C10 | C11 | 0.4° | 0.3° |
| C14 | C9 | C10 | H10 | 179.6° | 179.8° |
| C9 | C14 | C13 | C12 | 0.2° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C9 | C14 | C13 | H13 | 179.8° | 179.7° |
| C10 | C11 | C12 | O15 | 174.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| C10 | C11 | O15 | C17 | 148.0° | 153.6° |
| H10 | C10 | C11 | C12 | 179.3° | 180.0° |
| H10 | C10 | C11 | O15 | 5.6° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | C11 | O15 | C17 | 37.1° | 26.4° |
| O15 | C11 | C12 | C13 | 174.2° | 180.0° |
| O15 | C11 | C12 | H12 | 5.8° | 0.0° |
| C11 | O15 | C17 | N16 | 35.6° | 5.0° |
| C11 | O15 | C17 | C18 | 147.4° | 175.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | H14 | 179.8° | 179.8° |
| H12 | C12 | C13 | C14 | 179.9° | 179.7° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| O15 | C17 | N16 | C18 | 176.9° | 180.0° |
| O15 | C17 | N16 | C21 | 176.2° | 180.0° |
| O15 | C17 | C18 | C19 | 176.2° | 180.0° |
| O15 | C17 | C18 | F22 | 4.9° | 0.0° |
| N16 | C17 | C18 | C19 | 0.8° | 0.0° |
| N16 | C17 | C18 | F22 | 178.1° | 180.0° |
| C17 | N16 | C21 | C20 | 0.2° | 0.0° |
| C17 | N16 | C21 | O25 | 179.0° | 180.0° |
| C21 | N16 | C17 | C18 | 0.8° | 0.0° |
| N16 | C21 | C20 | C19 | 1.1° | 0.0° |
| N16 | C21 | C20 | O25 | 179.2° | 179.9° |
| N16 | C21 | C20 | F24 | 177.6° | 180.0° |
| N16 | C21 | O25 | C26 | 12.1° | 7.1° |
| C17 | C18 | C19 | F22 | 178.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | N23 | 175.1° | 180.0° |
| C18 | C19 | C20 | N23 | 175.2° | 180.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.0° |
| C18 | C19 | C20 | F24 | 177.7° | 180.0° |
| C18 | C19 | N23 | C38 | 53.0° | 60.0° |
| C18 | C19 | N23 | C41 | 128.3° | 60.9° |
| F22 | C18 | C19 | C20 | 178.9° | 180.0° |
| F22 | C18 | C19 | N23 | 3.8° | 0.0° |
| C19 | C20 | C21 | F24 | 178.7° | 180.0° |
| C19 | C20 | C21 | O25 | 178.1° | 180.0° |
| C20 | C19 | N23 | C38 | 132.0° | 120.0° |
| C20 | C19 | N23 | C41 | 46.7° | 119.2° |
| N23 | C19 | C20 | C21 | 174.2° | 179.9° |
| N23 | C19 | C20 | F24 | 7.1° | 0.0° |
| C19 | N23 | C38 | C41 | 178.9° | 122.3° |
| C19 | N23 | C38 | C39 | 170.9° | 123.3° |
| C19 | N23 | C38 | H38 | 69.1° | 117.4° |
| C19 | N23 | C38 | H38A | 50.9° | 3.9° |
| C19 | N23 | C41 | C40 | 157.9° | 146.4° |
| C19 | N23 | C41 | H41 | 82.1° | 27.5° |
| C19 | N23 | C41 | H41A | 37.9° | 94.8° |
| C20 | C21 | O25 | C26 | 168.7° | 173.0° |
| F24 | C20 | C21 | O25 | 3.2° | 0.1° |
| C21 | O25 | C26 | C27 | 89.3° | 38.7° |
| C21 | O25 | C26 | C32 | 93.1° | 141.5° |
| N23 | C38 | C39 | H38 | 120.0° | 119.4° |
| N23 | C38 | C39 | H38A | 120.0° | 119.4° |
| N23 | C38 | H38 | H38A | 122.8° | 121.2° |
| N23 | C38 | C39 | C40 | 35.7° | 22.3° |
| N23 | C38 | C39 | N42 | 159.3° | 140.7° |
| N23 | C38 | C39 | H39 | 85.6° | 96.1° |
| C38 | N23 | C41 | C40 | 23.2° | 24.1° |
| C38 | N23 | C41 | H41 | 96.8° | 94.8° |
| C38 | N23 | C41 | H41A | 143.2° | 142.9° |
| C41 | N23 | C38 | C39 | 8.0° | 1.0° |
| C41 | N23 | C38 | H38 | 112.0° | 120.4° |
| C41 | N23 | C38 | H38A | 128.0° | 118.4° |
| N23 | C41 | C40 | C39 | 44.7° | 37.1° |
| N23 | C41 | C40 | H41 | 120.0° | 118.9° |
| N23 | C41 | C40 | H41A | 120.0° | 118.8° |
| N23 | C41 | C40 | H40 | 75.4° | 81.0° |
| N23 | C41 | C40 | H40A | 164.7° | 155.2° |
| N23 | C41 | H41 | H41A | 123.1° | 122.4° |
| O25 | C26 | C27 | C32 | 177.6° | 179.8° |
| O25 | C26 | C27 | C28 | 177.5° | 180.0° |
| O25 | C26 | C27 | H27 | 2.5° | 0.1° |
| O25 | C26 | C32 | C31 | 177.4° | 179.7° |
| O25 | C26 | C32 | C33 | 1.9° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | N29 | 180.0° | 180.0° |
| C26 | C27 | C28 | C30 | 0.0° | 0.0° |
| C27 | C26 | C32 | C31 | 0.1° | 0.5° |
| C27 | C26 | C32 | C33 | 179.4° | 179.8° |
| C32 | C26 | C27 | C28 | 0.1° | 0.2° |
| C32 | C26 | C27 | H27 | 179.9° | 179.7° |
| C26 | C32 | C31 | C30 | 0.0° | 0.6° |
| C26 | C32 | C31 | C33 | 179.3° | 179.7° |
| C26 | C32 | C31 | H31 | 179.9° | 179.7° |
| C26 | C32 | C33 | O34 | 174.8° | 180.0° |
| C26 | C32 | C33 | O35 | 5.5° | 0.0° |
| C27 | C28 | N29 | C30 | 180.0° | 180.0° |
| C27 | C28 | N29 | C36 | 179.8° | 3.7° |
| C27 | C28 | N29 | C37 | 0.5° | 176.3° |
| C27 | C28 | C30 | C31 | 0.1° | 0.0° |
| C27 | C28 | C30 | H30 | 179.9° | 179.9° |
| H27 | C27 | C28 | N29 | 0.0° | 0.0° |
| H27 | C27 | C28 | C30 | 180.0° | 180.0° |
| C28 | N29 | C36 | C37 | 179.7° | 180.0° |
| N29 | C28 | C30 | C31 | 179.8° | 180.0° |
| N29 | C28 | C30 | H30 | 0.2° | 0.1° |
| C28 | N29 | C36 | H36 | 180.0° | 91.0° |
| C28 | N29 | C36 | H36A | 60.0° | 149.0° |
| C28 | N29 | C36 | H36B | 60.0° | 29.0° |
| C28 | N29 | C37 | H37 | 180.0° | 90.1° |
| C28 | N29 | C37 | H37A | 60.0° | 149.8° |
| C28 | N29 | C37 | H37B | 60.0° | 29.9° |
| C30 | C28 | N29 | C36 | 0.2° | 176.3° |
| C30 | C28 | N29 | C37 | 179.4° | 3.7° |
| C28 | C30 | C31 | H30 | 180.0° | 179.9° |
| C28 | C30 | C31 | C32 | 0.1° | 0.4° |
| C28 | C30 | C31 | H31 | 179.9° | 179.9° |
| N29 | C36 | H36 | H36A | 120.0° | 120.0° |
| N29 | C36 | H36 | H36B | 120.0° | 120.0° |
| N29 | C36 | H36A | H36B | 120.0° | 120.0° |
| C36 | N29 | C37 | H37 | 0.3° | 89.9° |
| C36 | N29 | C37 | H37A | 119.7° | 30.2° |
| C36 | N29 | C37 | H37B | 120.4° | 150.1° |
| C37 | N29 | C36 | H36 | 0.3° | 89.0° |
| C37 | N29 | C36 | H36A | 120.3° | 31.0° |
| C37 | N29 | C36 | H36B | 119.7° | 151.0° |
| N29 | C37 | H37 | H37A | 120.0° | 120.1° |
| N29 | C37 | H37 | H37B | 120.0° | 120.0° |
| N29 | C37 | H37A | H37B | 120.0° | 120.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 179.4° | 179.7° |
| H30 | C30 | C31 | C32 | 179.9° | 179.7° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
| C31 | C32 | C33 | O34 | 5.9° | 0.3° |
| C31 | C32 | C33 | O35 | 173.8° | 179.7° |
| H31 | C31 | C32 | C33 | 0.6° | 0.0° |
| C32 | C33 | O34 | O35 | 179.6° | 180.0° |
| C32 | C33 | O34 | H35 | 179.6° | 180.0° |
| O35 | C33 | O34 | H35 | 0.0° | 0.0° |
| H36 | C36 | H36A | H36B | 120.0° | 119.9° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| C39 | C38 | H38 | H38A | 122.8° | 121.1° |
| C38 | C39 | C40 | N42 | 121.5° | 118.4° |
| C38 | C39 | C40 | H39 | 123.5° | 118.4° |
| C38 | C39 | N42 | H39 | 123.5° | 123.2° |
| C38 | C39 | C40 | C41 | 50.0° | 35.7° |
| C38 | C39 | C40 | H40 | 70.0° | 82.4° |
| C38 | C39 | C40 | H40A | 170.0° | 153.8° |
| C38 | C39 | N42 | C43 | 163.5° | 64.4° |
| C38 | C39 | N42 | C44 | 72.3° | 171.7° |
| H38 | C38 | C39 | C40 | 84.3° | 97.1° |
| H38 | C38 | C39 | N42 | 39.3° | 21.3° |
| H38 | C38 | C39 | H39 | 154.4° | 144.4° |
| H38A | C38 | C39 | C40 | 155.7° | 141.7° |
| H38A | C38 | C39 | N42 | 80.7° | 99.9° |
| H38A | C38 | C39 | H39 | 34.4° | 23.3° |
| C40 | C39 | N42 | H39 | 121.3° | 123.2° |
| C39 | C40 | C41 | H40 | 120.0° | 118.1° |
| C39 | C40 | C41 | H40A | 120.0° | 118.1° |
| C39 | C40 | H40 | H40A | 124.1° | 123.9° |
| C39 | C40 | C41 | H41 | 75.3° | 81.8° |
| C39 | C40 | C41 | H41A | 164.7° | 155.9° |
| C40 | C39 | N42 | C43 | 81.4° | 178.0° |
| C40 | C39 | N42 | C44 | 42.9° | 58.0° |
| N42 | C39 | C40 | C41 | 171.5° | 154.0° |
| N42 | C39 | C40 | H40 | 51.5° | 36.0° |
| N42 | C39 | C40 | H40A | 68.5° | 87.9° |
| C39 | N42 | C43 | C44 | 128.1° | 123.9° |
| C39 | N42 | C43 | H43 | 180.0° | 60.0° |
| C39 | N42 | C43 | H43A | 60.0° | 180.0° |
| C39 | N42 | C43 | H43B | 60.0° | 60.0° |
| C39 | N42 | C44 | H44 | 180.0° | 65.4° |
| C39 | N42 | C44 | H44A | 60.0° | 174.6° |
| C39 | N42 | C44 | H44B | 60.0° | 54.7° |
| H39 | C39 | C40 | C41 | 73.4° | 82.8° |
| H39 | C39 | C40 | H40 | 166.5° | 159.2° |
| H39 | C39 | C40 | H40A | 46.6° | 35.3° |
| H39 | C39 | N42 | C43 | 40.0° | 58.8° |
| H39 | C39 | N42 | C44 | 164.3° | 65.2° |
| C41 | C40 | H40 | H40A | 124.1° | 123.8° |
| C40 | C41 | H41 | H41A | 123.0° | 122.3° |
| H40 | C40 | C41 | H41 | 164.6° | 160.1° |
| H40 | C40 | C41 | H41A | 44.6° | 37.8° |
| H40A | C40 | C41 | H41 | 44.7° | 36.3° |
| H40A | C40 | C41 | H41A | 75.3° | 86.0° |
| N42 | C43 | H43 | H43A | 120.0° | 120.0° |
| N42 | C43 | H43 | H43B | 120.0° | 120.0° |
| N42 | C43 | H43A | H43B | 120.0° | 120.1° |
| C43 | N42 | C44 | H44 | 55.0° | 170.7° |
| C43 | N42 | C44 | H44A | 65.1° | 50.6° |
| C43 | N42 | C44 | H44B | 175.0° | 69.3° |
| C44 | N42 | C43 | H43 | 51.8° | 64.0° |
| C44 | N42 | C43 | H43A | 171.9° | 56.0° |
| C44 | N42 | C43 | H43B | 68.1° | 176.0° |
| N42 | C44 | H44 | H44A | 120.0° | 120.0° |
| N42 | C44 | H44 | H44B | 120.0° | 120.0° |
| N42 | C44 | H44A | H44B | 120.0° | 119.9° |
| H43 | C43 | H43A | H43B | 120.0° | 119.9° |
| H44 | C44 | H44A | H44B | 120.0° | 120.1° |
