EMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C26 | sing | 1.46Å | 1.47Å | |
| N1 | C27 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C22 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.40Å | 1.42Å | |
| N8 | C9 | sing | 1.47Å | 1.49Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | C16 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | O15 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | O15 | sing | 1.43Å | 1.45Å | |
| C14 | C26 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | F23 | sing | 1.40Å | 1.40Å | |
| C22 | F24 | sing | 1.40Å | 1.40Å | |
| C22 | F25 | sing | 1.40Å | 1.40Å | |
| C27 | N28 | sing | 1.35Å | 1.36Å | |
| C27 | O29 | doub | 1.22Å | 1.25Å | |
| N28 | C30 | sing | 1.46Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | N32 | sing | 1.47Å | 1.49Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| N32 | C34 | sing | 1.47Å | 1.48Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | 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 | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N1 | C27 | 122.3° | 120.0° |
| N1 | C26 | C14 | 110.7° | 109.5° |
| C26 | N1 | HN1 | 118.9° | 120.0° |
| N1 | C26 | H26 | 109.1° | 109.5° |
| N1 | C26 | H26A | 109.0° | 109.5° |
| N1 | C27 | N28 | 117.8° | 120.0° |
| N1 | C27 | O29 | 120.6° | 120.0° |
| C27 | N1 | HN1 | 118.8° | 120.0° |
| C3 | C2 | C5 | 119.6° | 120.1° |
| C3 | C2 | C22 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.8° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C5 | C2 | C22 | 120.8° | 119.9° |
| C2 | C5 | C6 | 120.0° | 120.3° |
| C2 | C5 | H5 | 120.0° | 119.9° |
| C2 | C22 | F23 | 109.3° | 109.5° |
| C2 | C22 | F24 | 110.9° | 109.5° |
| C2 | C22 | F25 | 108.8° | 109.5° |
| C3 | C4 | C7 | 119.7° | 120.1° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C4 | C7 | C6 | 119.8° | 119.9° |
| C4 | C7 | N8 | 119.4° | 119.1° |
| C7 | C4 | H4 | 120.2° | 120.0° |
| C5 | C6 | C7 | 120.3° | 119.7° |
| C5 | C6 | C10 | 118.8° | 118.9° |
| C6 | C5 | H5 | 120.0° | 119.8° |
| C7 | C6 | C10 | 120.9° | 121.4° |
| C6 | C7 | N8 | 120.8° | 121.1° |
| C6 | C10 | C11 | 110.5° | 109.9° |
| C6 | C10 | O15 | 109.5° | 108.6° |
| C6 | C10 | H10 | 108.9° | 109.4° |
| C7 | N8 | C9 | 120.9° | 119.0° |
| C7 | N8 | HN8 | 105.8° | 120.5° |
| N8 | C9 | C11 | 109.9° | 107.7° |
| N8 | C9 | C16 | 109.8° | 109.8° |
| C9 | N8 | HN8 | 105.8° | 120.6° |
| N8 | C9 | H9 | 109.1° | 109.8° |
| C11 | C9 | C16 | 109.9° | 109.8° |
| C9 | C11 | C10 | 110.2° | 109.2° |
| C9 | C11 | C12 | 112.5° | 110.2° |
| C11 | C9 | H9 | 109.0° | 109.8° |
| C9 | C11 | H11 | 107.0° | 109.2° |
| C9 | C16 | C17 | 118.4° | 120.0° |
| C9 | C16 | C21 | 122.0° | 120.0° |
| C16 | C9 | H9 | 109.1° | 109.9° |
| C11 | C10 | O15 | 109.7° | 109.9° |
| C10 | C11 | C12 | 109.7° | 110.5° |
| C11 | C10 | H10 | 108.6° | 109.4° |
| C10 | C11 | H11 | 109.9° | 109.2° |
| C10 | O15 | C14 | 108.8° | 114.5° |
| O15 | C10 | H10 | 109.7° | 109.5° |
| C11 | C12 | C13 | 113.1° | 109.6° |
| C12 | C11 | H11 | 107.4° | 108.5° |
| C11 | C12 | H12 | 108.3° | 109.4° |
| C11 | C12 | H12A | 108.3° | 109.5° |
| C12 | C13 | C14 | 110.0° | 108.7° |
| C13 | C12 | H12 | 108.3° | 109.4° |
| C13 | C12 | H12A | 108.3° | 109.5° |
| C12 | C13 | H13 | 109.3° | 109.6° |
| C12 | C13 | H13A | 109.3° | 109.6° |
| C13 | C14 | O15 | 109.6° | 109.1° |
| C13 | C14 | C26 | 111.3° | 109.5° |
| C14 | C13 | H13 | 109.3° | 109.6° |
| C14 | C13 | H13A | 109.3° | 109.6° |
| C13 | C14 | H14 | 108.1° | 109.5° |
| O15 | C14 | C26 | 109.3° | 109.5° |
| O15 | C14 | H14 | 110.1° | 109.5° |
| C26 | C14 | H14 | 108.4° | 109.6° |
| C14 | C26 | H26 | 109.1° | 109.4° |
| C14 | C26 | H26A | 109.1° | 109.4° |
| C17 | C16 | C21 | 119.6° | 120.0° |
| C16 | C17 | C18 | 120.7° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C16 | C21 | C20 | 119.5° | 120.0° |
| C16 | C21 | H21 | 120.3° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | H17 | 119.6° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C20 | C19 | H19 | 120.3° | 120.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C20 | C21 | H21 | 120.3° | 120.0° |
| F23 | C22 | F24 | 110.1° | 109.4° |
| F23 | C22 | F25 | 109.2° | 109.5° |
| F24 | C22 | F25 | 108.6° | 109.5° |
| N28 | C27 | O29 | 121.5° | 120.0° |
| C27 | N28 | C30 | 121.4° | 120.0° |
| C27 | N28 | HN28 | 119.3° | 119.9° |
| N28 | C30 | C31 | 111.1° | 109.5° |
| C30 | N28 | HN28 | 119.3° | 120.0° |
| N28 | C30 | H30 | 108.9° | 109.4° |
| N28 | C30 | H30A | 108.9° | 109.4° |
| C30 | C31 | N32 | 111.0° | 109.5° |
| C31 | C30 | H30 | 108.9° | 109.5° |
| C31 | C30 | H30A | 108.9° | 109.5° |
| C30 | C31 | H31 | 109.0° | 109.5° |
| C30 | C31 | H31A | 109.0° | 109.4° |
| C31 | N32 | C33 | 108.0° | 111.0° |
| C31 | N32 | C34 | 107.4° | 111.0° |
| N32 | C31 | H31 | 109.0° | 109.5° |
| N32 | C31 | H31A | 108.9° | 109.5° |
| C33 | N32 | C34 | 105.6° | 111.0° |
| N32 | C33 | H33 | 109.5° | 109.5° |
| N32 | C33 | H33A | 109.4° | 109.4° |
| N32 | C33 | H33B | 109.5° | 109.5° |
| N32 | C34 | H34 | 109.5° | 109.5° |
| N32 | C34 | H34A | 109.5° | 109.5° |
| N32 | C34 | H34B | 109.5° | 109.5° |
| H12 | C12 | H12A | 110.6° | 109.4° |
| H13 | C13 | H13A | 109.7° | 109.7° |
| H26 | C26 | H26A | 109.9° | 109.5° |
| H30 | C30 | H30A | 110.0° | 109.5° |
| H31 | C31 | H31A | 110.0° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.4° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.4° | 109.5° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N1 | C27 | HN1 | 180.0° | 179.7° |
| N1 | C26 | C14 | C13 | 21.1° | 180.0° |
| N1 | C26 | C14 | O15 | 100.1° | 60.3° |
| N1 | C26 | C14 | H26 | 120.0° | 120.1° |
| N1 | C26 | C14 | H26A | 120.0° | 120.0° |
| C26 | N1 | C27 | N28 | 177.3° | 180.0° |
| C26 | N1 | C27 | O29 | 1.0° | 0.0° |
| N1 | C26 | C14 | H14 | 139.9° | 59.8° |
| N1 | C26 | H26 | H26A | 119.5° | 120.0° |
| C27 | N1 | C26 | C14 | 103.2° | 180.0° |
| N1 | C27 | N28 | O29 | 178.3° | 180.0° |
| N1 | C27 | N28 | C30 | 177.6° | 180.0° |
| C27 | N1 | C26 | H26 | 136.8° | 60.0° |
| C27 | N1 | C26 | H26A | 16.8° | 60.0° |
| N1 | C27 | N28 | HN28 | 2.4° | 0.0° |
| C3 | C2 | C5 | C22 | 179.3° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 0.0° | 0.1° |
| C3 | C2 | C5 | C6 | 0.2° | 0.1° |
| C3 | C2 | C22 | F23 | 31.2° | 0.0° |
| C3 | C2 | C22 | F24 | 152.7° | 120.0° |
| C3 | C2 | C22 | F25 | 87.9° | 120.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C5 | H5 | 179.8° | 180.0° |
| C5 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | C5 | C6 | H5 | 180.0° | 179.9° |
| C2 | C5 | C6 | C7 | 0.1° | 0.2° |
| C2 | C5 | C6 | C10 | 179.6° | 179.5° |
| C5 | C2 | C22 | F23 | 149.5° | 179.8° |
| C5 | C2 | C22 | F24 | 28.0° | 60.2° |
| C5 | C2 | C22 | F25 | 91.4° | 59.8° |
| C5 | C2 | C3 | H3 | 179.9° | 179.9° |
| C22 | C2 | C3 | C4 | 179.2° | 179.6° |
| C22 | C2 | C5 | C6 | 179.2° | 179.7° |
| C2 | C22 | F23 | F24 | 122.0° | 120.0° |
| C2 | C22 | F23 | F25 | 118.9° | 120.0° |
| C2 | C22 | F24 | F25 | 119.5° | 120.0° |
| C22 | C2 | C3 | H3 | 0.8° | 0.3° |
| C22 | C2 | C5 | H5 | 0.9° | 0.2° |
| C3 | C4 | C7 | H4 | 180.0° | 179.9° |
| C3 | C4 | C7 | C6 | 0.1° | 0.1° |
| C3 | C4 | C7 | N8 | 179.6° | 179.5° |
| C4 | C7 | C6 | C5 | 0.0° | 0.2° |
| C4 | C7 | C6 | N8 | 179.6° | 179.6° |
| C4 | C7 | C6 | C10 | 179.7° | 179.5° |
| C4 | C7 | N8 | C9 | 177.8° | 167.6° |
| C7 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C7 | N8 | HN8 | 57.8° | 12.4° |
| C5 | C6 | C7 | C10 | 179.6° | 179.7° |
| C5 | C6 | C7 | N8 | 179.6° | 179.4° |
| C5 | C6 | C10 | C11 | 153.2° | 158.5° |
| C5 | C6 | C10 | O15 | 86.0° | 81.1° |
| C5 | C6 | C10 | H10 | 33.9° | 38.3° |
| C6 | C7 | N8 | C9 | 2.6° | 12.8° |
| C7 | C6 | C10 | C11 | 26.5° | 21.8° |
| C7 | C6 | C10 | O15 | 94.4° | 98.6° |
| C6 | C7 | C4 | H4 | 179.9° | 179.9° |
| C7 | C6 | C5 | H5 | 179.9° | 179.8° |
| C6 | C7 | N8 | HN8 | 122.6° | 167.2° |
| C7 | C6 | C10 | H10 | 145.7° | 142.0° |
| C10 | C6 | C7 | N8 | 0.0° | 0.9° |
| C6 | C10 | C11 | C9 | 54.0° | 52.4° |
| C6 | C10 | C11 | O15 | 120.8° | 119.5° |
| C6 | C10 | C11 | H10 | 119.4° | 120.2° |
| C6 | C10 | O15 | H10 | 119.4° | 119.4° |
| C6 | C10 | C11 | C12 | 178.4° | 173.9° |
| C6 | C10 | O15 | C14 | 168.7° | 179.6° |
| C10 | C6 | C5 | H5 | 0.5° | 0.5° |
| C6 | C10 | C11 | H11 | 63.6° | 66.9° |
| C7 | N8 | C9 | HN8 | 120.0° | 180.0° |
| C7 | N8 | C9 | C11 | 30.9° | 43.6° |
| C7 | N8 | C9 | C16 | 152.0° | 163.2° |
| N8 | C7 | C4 | H4 | 0.5° | 0.5° |
| C7 | N8 | C9 | H9 | 88.6° | 75.8° |
| N8 | C9 | C11 | C16 | 121.0° | 119.5° |
| N8 | C9 | C11 | H9 | 119.5° | 119.5° |
| N8 | C9 | C16 | H9 | 119.5° | 120.9° |
| N8 | C9 | C11 | C10 | 56.3° | 63.4° |
| N8 | C9 | C11 | C12 | 179.1° | 175.0° |
| N8 | C9 | C16 | C17 | 114.4° | 140.0° |
| N8 | C9 | C16 | C21 | 66.0° | 39.7° |
| N8 | C9 | C11 | H11 | 63.2° | 56.0° |
| C11 | C9 | C16 | H9 | 119.4° | 120.9° |
| C9 | C11 | C10 | C12 | 124.4° | 121.4° |
| C9 | C11 | C10 | H11 | 117.7° | 119.3° |
| C9 | C11 | C10 | O15 | 66.7° | 67.1° |
| C9 | C11 | C12 | H11 | 117.5° | 119.5° |
| C9 | C11 | C12 | C13 | 76.7° | 66.0° |
| C11 | C9 | C16 | C17 | 124.5° | 101.8° |
| C11 | C9 | C16 | C21 | 55.1° | 78.5° |
| C11 | C9 | N8 | HN8 | 150.9° | 136.4° |
| C9 | C11 | C10 | H10 | 173.4° | 172.6° |
| C9 | C11 | C12 | H12 | 43.3° | 54.0° |
| C9 | C11 | C12 | H12A | 163.3° | 173.9° |
| C16 | C9 | C11 | C10 | 177.3° | 177.1° |
| C16 | C9 | C11 | C12 | 59.9° | 55.5° |
| C9 | C16 | C17 | C21 | 179.6° | 179.7° |
| C9 | C16 | C17 | C18 | 179.7° | 180.0° |
| C9 | C16 | C21 | C20 | 179.6° | 179.8° |
| C16 | C9 | N8 | HN8 | 88.0° | 16.8° |
| C16 | C9 | C11 | H11 | 57.9° | 63.6° |
| C9 | C16 | C17 | H17 | 0.3° | 0.0° |
| C9 | C16 | C21 | H21 | 0.3° | 0.0° |
| C11 | C10 | O15 | H10 | 119.2° | 120.3° |
| C10 | C11 | C12 | H11 | 119.5° | 119.7° |
| C10 | C11 | C12 | C13 | 46.3° | 54.8° |
| C11 | C10 | O15 | C14 | 70.0° | 59.2° |
| C10 | C11 | C9 | H9 | 63.2° | 56.1° |
| C10 | C11 | C12 | H12 | 166.3° | 174.8° |
| C10 | C11 | C12 | H12A | 73.7° | 65.3° |
| O15 | C10 | C11 | C12 | 57.7° | 54.3° |
| C10 | O15 | C14 | C13 | 68.3° | 61.8° |
| C10 | O15 | C14 | C26 | 169.4° | 178.3° |
| O15 | C10 | C11 | H11 | 175.6° | 173.6° |
| C10 | O15 | C14 | H14 | 50.4° | 58.1° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.1° |
| C11 | C12 | C13 | C14 | 45.2° | 56.7° |
| C12 | C11 | C9 | H9 | 59.6° | 65.5° |
| C12 | C11 | C10 | H10 | 62.2° | 66.0° |
| C11 | C12 | H12 | H12A | 118.5° | 120.0° |
| C11 | C12 | C13 | H13 | 74.8° | 63.1° |
| C11 | C12 | C13 | H13A | 165.2° | 176.5° |
| C12 | C13 | C14 | H13 | 120.0° | 119.8° |
| C12 | C13 | C14 | H13A | 120.0° | 119.8° |
| C12 | C13 | C14 | O15 | 55.1° | 58.8° |
| C12 | C13 | C14 | C26 | 176.2° | 178.7° |
| C13 | C12 | C11 | H11 | 165.8° | 174.5° |
| C13 | C12 | H12 | H12A | 118.5° | 119.9° |
| C12 | C13 | H13 | H13A | 119.8° | 120.4° |
| C12 | C13 | C14 | H14 | 64.9° | 61.1° |
| C13 | C14 | O15 | C26 | 122.3° | 119.9° |
| C13 | C14 | O15 | H14 | 118.8° | 119.9° |
| C13 | C14 | C26 | H14 | 118.7° | 120.2° |
| C14 | C13 | C12 | H12 | 165.2° | 176.7° |
| C14 | C13 | C12 | H12A | 74.8° | 63.4° |
| C14 | C13 | H13 | H13A | 119.8° | 120.4° |
| C13 | C14 | C26 | H26 | 141.1° | 60.0° |
| C13 | C14 | C26 | H26A | 98.9° | 60.0° |
| O15 | C14 | C26 | H14 | 120.0° | 120.2° |
| C14 | O15 | C10 | H10 | 49.3° | 61.0° |
| O15 | C14 | C13 | H13 | 64.9° | 61.0° |
| O15 | C14 | C13 | H13A | 175.1° | 178.6° |
| O15 | C14 | C26 | H26 | 19.9° | 179.6° |
| O15 | C14 | C26 | H26A | 139.9° | 59.7° |
| C14 | C26 | N1 | HN1 | 76.8° | 0.3° |
| C26 | C14 | C13 | H13 | 56.2° | 58.9° |
| C26 | C14 | C13 | H13A | 63.8° | 61.5° |
| C14 | C26 | H26 | H26A | 119.5° | 119.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.5° |
| C17 | C16 | C9 | H9 | 5.0° | 19.1° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C16 | C21 | H21 | 180.0° | 179.7° |
| C21 | C16 | C17 | C18 | 0.1° | 0.3° |
| C16 | C21 | C20 | C19 | 0.0° | 0.4° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C21 | C16 | C9 | H9 | 174.6° | 160.6° |
| C21 | C16 | C17 | H17 | 179.9° | 179.8° |
| C16 | C21 | C20 | H20 | 180.0° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.2° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C20 | C21 | H21 | 180.0° | 179.8° |
| C21 | C20 | C19 | H19 | 180.0° | 179.8° |
| F23 | C22 | F24 | F25 | 119.5° | 120.0° |
| C27 | N28 | C30 | HN28 | 180.0° | 180.0° |
| C27 | N28 | C30 | C31 | 122.0° | 180.0° |
| N28 | C27 | N1 | HN1 | 2.7° | 0.3° |
| C27 | N28 | C30 | H30 | 118.0° | 60.0° |
| C27 | N28 | C30 | H30A | 2.0° | 60.0° |
| O29 | C27 | N28 | C30 | 0.7° | 0.0° |
| O29 | C27 | N1 | HN1 | 179.0° | 179.7° |
| O29 | C27 | N28 | HN28 | 179.3° | 180.0° |
| N28 | C30 | C31 | H30 | 120.0° | 120.0° |
| N28 | C30 | C31 | H30A | 120.0° | 120.0° |
| N28 | C30 | C31 | N32 | 151.6° | 180.0° |
| N28 | C30 | H30 | H30A | 119.3° | 119.9° |
| N28 | C30 | C31 | H31 | 88.4° | 60.0° |
| N28 | C30 | C31 | H31A | 31.6° | 60.0° |
| C30 | C31 | N32 | H31 | 120.0° | 120.0° |
| C30 | C31 | N32 | H31A | 120.0° | 119.9° |
| C30 | C31 | N32 | C33 | 63.0° | 170.0° |
| C30 | C31 | N32 | C34 | 176.4° | 66.0° |
| C31 | C30 | N28 | HN28 | 58.0° | 0.0° |
| C31 | C30 | H30 | H30A | 119.3° | 120.0° |
| C30 | C31 | H31 | H31A | 119.4° | 119.9° |
| C31 | N32 | C33 | C34 | 114.6° | 123.9° |
| N32 | C31 | C30 | H30 | 31.6° | 60.0° |
| N32 | C31 | C30 | H30A | 88.4° | 60.0° |
| N32 | C31 | H31 | H31A | 119.4° | 120.1° |
| C31 | N32 | C33 | H33 | 180.0° | 60.0° |
| C31 | N32 | C33 | H33A | 60.0° | 180.0° |
| C31 | N32 | C33 | H33B | 60.0° | 60.0° |
| C31 | N32 | C34 | H34 | 180.0° | 60.0° |
| C31 | N32 | C34 | H34A | 60.0° | 179.9° |
| C31 | N32 | C34 | H34B | 60.0° | 60.0° |
| C33 | N32 | C31 | H31 | 57.0° | 50.0° |
| C33 | N32 | C31 | H31A | 177.0° | 70.1° |
| N32 | C33 | H33 | H33A | 120.0° | 120.0° |
| N32 | C33 | H33 | H33B | 120.0° | 120.1° |
| N32 | C33 | H33A | H33B | 120.0° | 120.0° |
| C33 | N32 | C34 | H34 | 65.0° | 176.1° |
| C33 | N32 | C34 | H34A | 55.0° | 56.0° |
| C33 | N32 | C34 | H34B | 175.0° | 63.9° |
| C34 | N32 | C31 | H31 | 56.4° | 173.9° |
| C34 | N32 | C31 | H31A | 63.6° | 53.9° |
| C34 | N32 | C33 | H33 | 65.4° | 63.9° |
| C34 | N32 | C33 | H33A | 174.6° | 56.0° |
| C34 | N32 | C33 | H33B | 54.6° | 176.0° |
| N32 | C34 | H34 | H34A | 120.0° | 120.0° |
| N32 | C34 | H34 | H34B | 120.0° | 120.0° |
| N32 | C34 | H34A | H34B | 120.0° | 120.0° |
| HN1 | N1 | C26 | H26 | 43.2° | 119.7° |
| HN1 | N1 | C26 | H26A | 163.2° | 120.3° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| HN8 | N8 | C9 | H9 | 31.4° | 104.2° |
| H9 | C9 | C11 | H11 | 177.3° | 175.4° |
| H10 | C10 | C11 | H11 | 55.8° | 53.3° |
| H11 | C11 | C12 | H12 | 74.2° | 65.6° |
| H11 | C11 | C12 | H12A | 45.8° | 54.4° |
| H12 | C12 | C13 | H13 | 45.2° | 56.9° |
| H12 | C12 | C13 | H13A | 74.8° | 63.5° |
| H12A | C12 | C13 | H13 | 165.2° | 176.8° |
| H12A | C12 | C13 | H13A | 45.2° | 56.4° |
| H13 | C13 | C14 | H14 | 175.1° | 179.1° |
| H13A | C13 | C14 | H14 | 55.1° | 58.7° |
| H14 | C14 | C26 | H26 | 100.2° | 60.2° |
| H14 | C14 | C26 | H26A | 19.9° | 179.8° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.1° |
| H20 | C20 | C21 | H21 | 0.0° | 0.1° |
| HN28 | N28 | C30 | H30 | 62.0° | 120.1° |
| HN28 | N28 | C30 | H30A | 178.0° | 120.0° |
| H30 | C30 | C31 | H31 | 151.6° | 180.0° |
| H30 | C30 | C31 | H31A | 88.4° | 60.0° |
| H30A | C30 | C31 | H31 | 31.6° | 60.0° |
| H30A | C30 | C31 | H31A | 151.6° | 180.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 119.9° | 120.0° |
