QFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| N1 | C29 | sing | 1.47Å | 1.46Å | |
| C6 | N | sing | 1.47Å | 1.47Å | |
| C13 | O | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| N | C5 | sing | 1.39Å | 1.41Å | |
| N | C30 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C14 | sing | 1.36Å | 1.37Å | |
| C5 | C | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C | F | sing | 1.35Å | 1.35Å | |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C31 | sing | 1.43Å | 1.44Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C21 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C31 | N4 | trip | 1.14Å | 1.14Å | |
| C20 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| N2 | C19 | sing | 1.34Å | 1.36Å | |
| N2 | C22 | sing | 1.46Å | 1.45Å | |
| C19 | O1 | doub | 1.22Å | 1.22Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| O3 | C26 | doub | 1.21Å | 1.23Å | |
| C22 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | N3 | sing | 1.34Å | 1.37Å | |
| N3 | C25 | sing | 1.34Å | 1.37Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | O2 | doub | 1.21Å | 1.23Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N1 | 112.8° | 109.4° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | C28 | 121.1° | 120.0° |
| C9 | C8 | H8 | 108.6° | 109.4° |
| C9 | C8 | H9 | 108.6° | 109.5° |
| C8 | N1 | C7 | 111.2° | 111.0° |
| C8 | N1 | C29 | 111.2° | 111.0° |
| N1 | C8 | H8 | 108.6° | 109.5° |
| N1 | C8 | H9 | 108.7° | 109.5° |
| N1 | C7 | C6 | 110.4° | 109.4° |
| C7 | N1 | C29 | 108.8° | 110.9° |
| N1 | C7 | H6 | 109.2° | 109.5° |
| N1 | C7 | H7 | 109.2° | 109.4° |
| C7 | C6 | N | 110.7° | 109.4° |
| C7 | C6 | H4 | 109.2° | 109.5° |
| C7 | C6 | H5 | 109.2° | 109.5° |
| C6 | C7 | H6 | 109.2° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C10 | C9 | C28 | 118.1° | 120.0° |
| C9 | C10 | C11 | 121.0° | 120.0° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| C9 | C28 | C27 | 120.9° | 120.0° |
| C9 | C28 | H20 | 119.6° | 120.1° |
| C10 | C11 | C12 | 120.9° | 120.0° |
| C11 | C10 | H10 | 119.5° | 120.0° |
| C10 | C11 | H22 | 119.5° | 120.0° |
| C28 | C27 | C12 | 121.0° | 120.0° |
| C27 | C28 | H20 | 119.5° | 119.9° |
| C28 | C27 | H26 | 119.5° | 120.0° |
| C11 | C12 | C27 | 118.1° | 120.0° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C12 | C11 | H22 | 119.5° | 120.0° |
| C27 | C12 | C13 | 121.0° | 119.9° |
| C12 | C27 | H26 | 119.5° | 120.1° |
| C12 | C13 | O | 108.4° | 109.4° |
| C12 | C13 | H11 | 109.7° | 109.4° |
| C12 | C13 | H12 | 109.7° | 109.5° |
| N1 | C29 | C30 | 110.3° | 109.4° |
| N1 | C29 | H27 | 109.3° | 109.5° |
| N1 | C29 | H28 | 109.3° | 109.5° |
| C6 | N | C5 | 116.9° | 111.0° |
| C6 | N | C30 | 112.5° | 110.9° |
| N | C6 | H4 | 109.2° | 109.5° |
| N | C6 | H5 | 109.2° | 109.5° |
| C13 | O | C14 | 117.8° | 117.0° |
| O | C13 | H11 | 109.7° | 109.5° |
| O | C13 | H12 | 109.7° | 109.5° |
| C29 | C30 | N | 110.5° | 109.4° |
| C30 | C29 | H27 | 109.2° | 109.5° |
| C30 | C29 | H28 | 109.3° | 109.5° |
| C29 | C30 | H30 | 109.2° | 109.5° |
| C29 | C30 | H31 | 109.2° | 109.5° |
| C5 | N | C30 | 116.3° | 111.0° |
| N | C5 | C4 | 122.0° | 119.9° |
| N | C5 | C | 120.6° | 120.0° |
| N | C30 | H30 | 109.2° | 109.5° |
| N | C30 | H31 | 109.2° | 109.5° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C4 | C5 | C | 117.4° | 120.1° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C4 | C3 | H29 | 119.8° | 120.0° |
| O | C14 | C15 | 124.6° | 120.1° |
| O | C14 | C21 | 115.2° | 120.1° |
| C5 | C | F | 118.5° | 119.9° |
| C5 | C | C1 | 123.0° | 120.1° |
| C14 | C15 | C16 | 119.5° | 120.2° |
| C15 | C14 | C21 | 120.2° | 119.8° |
| C14 | C15 | H13 | 120.2° | 119.9° |
| C15 | C16 | C17 | 120.8° | 120.3° |
| C16 | C15 | H13 | 120.2° | 119.9° |
| C15 | C16 | H23 | 119.6° | 119.8° |
| C3 | C2 | C1 | 120.2° | 119.9° |
| C3 | C2 | C31 | 120.1° | 120.1° |
| C2 | C3 | H29 | 119.8° | 120.0° |
| C14 | C21 | C20 | 130.3° | 133.2° |
| C14 | C21 | C18 | 119.7° | 120.3° |
| F | C | C1 | 118.5° | 120.0° |
| C | C1 | C2 | 118.3° | 119.9° |
| C | C1 | H21 | 120.8° | 120.0° |
| C16 | C17 | C18 | 118.9° | 120.0° |
| C16 | C17 | H14 | 120.5° | 120.0° |
| C17 | C16 | H23 | 119.6° | 119.8° |
| C1 | C2 | C31 | 119.7° | 120.1° |
| C2 | C1 | H21 | 120.8° | 120.1° |
| C2 | C31 | N4 | 178.4° | 179.9° |
| C20 | C21 | C18 | 109.9° | 106.5° |
| C21 | C20 | N2 | 101.8° | 106.3° |
| C21 | C20 | H15 | 111.4° | 110.0° |
| C21 | C20 | H16 | 111.4° | 110.2° |
| C21 | C18 | C17 | 120.9° | 119.4° |
| C21 | C18 | C19 | 108.5° | 108.3° |
| C20 | N2 | C19 | 113.3° | 108.7° |
| C20 | N2 | C22 | 123.9° | 125.7° |
| N2 | C20 | H15 | 111.3° | 110.1° |
| N2 | C20 | H16 | 111.4° | 110.1° |
| C17 | C18 | C19 | 130.6° | 132.3° |
| C18 | C17 | H14 | 120.6° | 120.1° |
| C18 | C19 | N2 | 106.5° | 110.3° |
| C18 | C19 | O1 | 128.6° | 124.9° |
| C19 | N2 | C22 | 122.7° | 125.6° |
| N2 | C19 | O1 | 125.0° | 124.8° |
| N2 | C22 | C23 | 113.9° | 109.6° |
| N2 | C22 | C26 | 110.1° | 109.6° |
| N2 | C22 | H17 | 107.4° | 109.5° |
| C22 | C23 | C24 | 109.6° | 108.4° |
| C23 | C22 | C26 | 111.7° | 109.2° |
| C23 | C22 | H17 | 106.6° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.6° |
| C22 | C23 | H25 | 109.4° | 109.6° |
| C23 | C24 | C25 | 112.5° | 109.0° |
| C23 | C24 | H18 | 108.7° | 109.9° |
| C23 | C24 | H19 | 108.7° | 109.3° |
| C24 | C23 | H24 | 109.4° | 109.6° |
| C24 | C23 | H25 | 109.4° | 109.8° |
| O3 | C26 | C22 | 121.6° | 119.3° |
| O3 | C26 | N3 | 121.2° | 119.4° |
| C22 | C26 | N3 | 117.2° | 121.3° |
| C26 | C22 | H17 | 106.7° | 109.5° |
| C26 | N3 | C25 | 127.0° | 122.6° |
| C26 | N3 | H2 | 116.5° | 118.7° |
| N3 | C25 | C24 | 117.0° | 121.3° |
| N3 | C25 | O2 | 120.4° | 119.3° |
| C25 | N3 | H2 | 116.5° | 118.7° |
| C24 | C25 | O2 | 122.6° | 119.4° |
| C25 | C24 | H18 | 108.7° | 109.5° |
| C25 | C24 | H19 | 108.7° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.4° | 110.0° |
| H18 | C24 | H19 | 109.4° | 109.6° |
| H24 | C23 | H25 | 109.5° | 109.8° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N1 | H8 | 120.5° | 119.9° |
| C9 | C8 | N1 | H9 | 120.5° | 120.0° |
| C9 | C8 | N1 | C7 | 113.2° | 66.2° |
| C8 | C9 | C10 | C28 | 179.0° | 179.4° |
| C8 | C9 | C10 | C11 | 178.6° | 180.0° |
| C8 | C9 | C28 | C27 | 178.6° | 180.0° |
| C9 | C8 | N1 | C29 | 125.4° | 170.0° |
| C9 | C8 | H8 | H9 | 118.5° | 120.0° |
| C8 | C9 | C10 | H10 | 1.4° | 0.3° |
| C8 | C9 | C28 | H20 | 1.4° | 0.3° |
| C8 | N1 | C7 | C29 | 122.9° | 123.9° |
| C8 | N1 | C7 | C6 | 176.3° | 176.8° |
| N1 | C8 | C9 | C10 | 47.8° | 90.0° |
| N1 | C8 | C9 | C28 | 131.2° | 89.5° |
| C8 | N1 | C29 | C30 | 176.0° | 176.8° |
| C8 | N1 | C7 | H6 | 63.6° | 63.2° |
| C8 | N1 | C7 | H7 | 56.1° | 56.9° |
| N1 | C8 | H8 | H9 | 118.5° | 120.0° |
| C8 | N1 | C29 | H27 | 55.9° | 56.8° |
| C8 | N1 | C29 | H28 | 63.9° | 63.3° |
| N1 | C7 | C6 | H6 | 120.1° | 120.0° |
| N1 | C7 | C6 | H7 | 120.1° | 119.9° |
| N1 | C7 | C6 | N | 56.7° | 58.4° |
| C7 | N1 | C29 | C30 | 61.2° | 59.3° |
| N1 | C7 | C6 | H4 | 176.9° | 178.4° |
| N1 | C7 | C6 | H5 | 63.5° | 61.6° |
| N1 | C7 | H6 | H7 | 119.5° | 120.0° |
| C7 | N1 | C8 | H8 | 126.3° | 53.7° |
| C7 | N1 | C8 | H9 | 7.3° | 173.8° |
| C7 | N1 | C29 | H27 | 178.7° | 179.3° |
| C7 | N1 | C29 | H28 | 59.0° | 60.6° |
| C6 | C7 | N1 | C29 | 60.8° | 59.3° |
| C7 | C6 | N | H4 | 120.2° | 119.9° |
| C7 | C6 | N | H5 | 120.2° | 120.0° |
| C7 | C6 | N | C5 | 168.5° | 176.8° |
| C7 | C6 | N | C30 | 53.1° | 59.3° |
| C7 | C6 | H4 | H5 | 119.4° | 120.1° |
| C6 | C7 | H6 | H7 | 119.6° | 120.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C10 | C9 | C28 | C27 | 0.4° | 0.6° |
| C9 | C10 | C11 | C12 | 0.0° | 0.3° |
| C10 | C9 | C8 | H8 | 168.3° | 30.0° |
| C10 | C9 | C8 | H9 | 72.7° | 150.0° |
| C10 | C9 | C28 | H20 | 179.6° | 179.7° |
| C9 | C10 | C11 | H22 | 180.0° | 179.7° |
| C28 | C9 | C10 | C11 | 0.4° | 0.6° |
| C9 | C28 | C27 | H20 | 180.0° | 179.7° |
| C9 | C28 | C27 | C12 | 0.0° | 0.3° |
| C28 | C9 | C8 | H8 | 10.8° | 150.6° |
| C28 | C9 | C8 | H9 | 108.3° | 30.6° |
| C28 | C9 | C10 | H10 | 179.6° | 179.7° |
| C9 | C28 | C27 | H26 | 180.0° | 180.0° |
| C10 | C11 | C12 | H22 | 180.0° | 179.9° |
| C10 | C11 | C12 | C27 | 0.4° | 0.0° |
| C10 | C11 | C12 | C13 | 178.4° | 179.9° |
| C28 | C27 | C12 | C11 | 0.4° | 0.0° |
| C28 | C27 | C12 | H26 | 180.0° | 179.7° |
| C28 | C27 | C12 | C13 | 178.4° | 180.0° |
| C11 | C12 | C27 | C13 | 178.9° | 180.0° |
| C11 | C12 | C13 | O | 109.1° | 90.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H11 | 10.8° | 30.0° |
| C11 | C12 | C13 | H12 | 131.1° | 150.0° |
| C11 | C12 | C27 | H26 | 179.6° | 179.7° |
| C27 | C12 | C13 | O | 69.8° | 90.1° |
| C27 | C12 | C13 | H11 | 170.4° | 150.0° |
| C27 | C12 | C13 | H12 | 50.0° | 29.9° |
| C12 | C27 | C28 | H20 | 180.0° | 180.0° |
| C27 | C12 | C11 | H22 | 179.6° | 180.0° |
| C12 | C13 | O | H11 | 119.8° | 119.9° |
| C12 | C13 | O | H12 | 119.8° | 120.0° |
| C12 | C13 | O | C14 | 105.4° | 180.0° |
| C12 | C13 | H11 | H12 | 120.5° | 120.0° |
| C13 | C12 | C11 | H22 | 1.6° | 0.0° |
| C13 | C12 | C27 | H26 | 1.6° | 0.2° |
| N1 | C29 | C30 | H27 | 120.1° | 120.0° |
| N1 | C29 | C30 | H28 | 120.1° | 119.9° |
| N1 | C29 | C30 | N | 57.4° | 58.4° |
| C29 | N1 | C7 | H6 | 59.3° | 60.7° |
| C29 | N1 | C7 | H7 | 179.0° | 179.3° |
| C29 | N1 | C8 | H8 | 4.9° | 70.1° |
| C29 | N1 | C8 | H9 | 114.2° | 50.0° |
| N1 | C29 | H27 | H28 | 119.6° | 120.0° |
| N1 | C29 | C30 | H30 | 62.8° | 178.3° |
| N1 | C29 | C30 | H31 | 177.6° | 61.6° |
| C6 | N | C30 | C29 | 53.4° | 59.3° |
| C6 | N | C5 | C30 | 136.8° | 123.9° |
| C6 | N | C5 | C4 | 117.2° | 60.0° |
| C6 | N | C5 | C | 62.7° | 119.9° |
| N | C6 | H4 | H5 | 119.4° | 120.1° |
| N | C6 | C7 | H6 | 63.4° | 61.6° |
| N | C6 | C7 | H7 | 176.9° | 178.3° |
| C6 | N | C30 | H30 | 66.8° | 179.3° |
| C6 | N | C30 | H31 | 173.6° | 60.7° |
| C13 | O | C14 | C15 | 18.2° | 0.0° |
| C13 | O | C14 | C21 | 161.4° | 180.0° |
| O | C13 | H11 | H12 | 120.5° | 120.0° |
| C29 | C30 | N | C5 | 167.9° | 176.8° |
| C29 | C30 | N | H30 | 120.2° | 120.0° |
| C29 | C30 | N | H31 | 120.2° | 119.9° |
| C30 | C29 | H27 | H28 | 119.6° | 120.0° |
| C29 | C30 | H30 | H31 | 119.5° | 120.1° |
| N | C5 | C4 | C | 179.9° | 179.9° |
| N | C5 | C4 | C3 | 179.7° | 180.0° |
| N | C5 | C | F | 0.7° | 0.1° |
| N | C5 | C | C1 | 179.7° | 180.0° |
| N | C5 | C4 | H3 | 0.3° | 0.2° |
| C5 | N | C6 | H4 | 48.3° | 56.9° |
| C5 | N | C6 | H5 | 71.3° | 63.2° |
| C5 | N | C30 | H30 | 71.9° | 56.8° |
| C5 | N | C30 | H31 | 47.7° | 63.3° |
| C30 | N | C5 | C4 | 106.0° | 63.9° |
| C30 | N | C5 | C | 74.2° | 116.2° |
| C30 | N | C6 | H4 | 173.3° | 179.2° |
| C30 | N | C6 | H5 | 67.1° | 60.7° |
| N | C30 | C29 | H27 | 177.5° | 178.4° |
| N | C30 | C29 | H28 | 62.7° | 61.6° |
| N | C30 | H30 | H31 | 119.5° | 120.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C | F | 179.5° | 180.0° |
| C4 | C5 | C | C1 | 0.2° | 0.1° |
| C5 | C4 | C3 | H29 | 179.9° | 180.0° |
| C3 | C4 | C5 | C | 0.2° | 0.1° |
| C4 | C3 | C2 | H29 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | C31 | 179.8° | 180.0° |
| O | C14 | C15 | C21 | 179.6° | 179.9° |
| O | C14 | C15 | C16 | 179.5° | 180.0° |
| O | C14 | C21 | C20 | 1.3° | 0.1° |
| O | C14 | C21 | C18 | 179.8° | 180.0° |
| C14 | O | C13 | H11 | 14.4° | 60.1° |
| C14 | O | C13 | H12 | 134.7° | 60.0° |
| O | C14 | C15 | H13 | 0.4° | 0.3° |
| C5 | C | F | C1 | 179.7° | 179.9° |
| C5 | C | C1 | C2 | 0.1° | 0.0° |
| C | C5 | C4 | H3 | 179.8° | 179.7° |
| C5 | C | C1 | H21 | 179.9° | 179.9° |
| C14 | C15 | C16 | H13 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C21 | C20 | 178.4° | 180.0° |
| C15 | C14 | C21 | C18 | 0.1° | 0.0° |
| C14 | C15 | C16 | H23 | 179.8° | 180.0° |
| C16 | C15 | C14 | C21 | 0.1° | 0.0° |
| C15 | C16 | C17 | H23 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.0° | 0.0° |
| C3 | C2 | C1 | C31 | 179.7° | 180.0° |
| C3 | C2 | C31 | N4 | 178.6° | 11.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C3 | C2 | C1 | H21 | 180.0° | 180.0° |
| C14 | C21 | C20 | C18 | 178.6° | 179.9° |
| C14 | C21 | C20 | N2 | 178.0° | 180.0° |
| C14 | C21 | C18 | C17 | 0.3° | 0.1° |
| C14 | C21 | C18 | C19 | 179.4° | 180.0° |
| C21 | C14 | C15 | H13 | 179.9° | 179.8° |
| C14 | C21 | C20 | H15 | 59.2° | 60.8° |
| C14 | C21 | C20 | H16 | 63.3° | 60.7° |
| F | C | C1 | C2 | 179.5° | 179.9° |
| F | C | C1 | H21 | 0.5° | 0.0° |
| C | C1 | C2 | H21 | 180.0° | 179.9° |
| C | C1 | C2 | C31 | 179.7° | 180.0° |
| C16 | C17 | C18 | C21 | 0.2° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.1° | 180.0° |
| C17 | C16 | C15 | H13 | 179.9° | 179.7° |
| C1 | C2 | C31 | N4 | 1.1° | 168.7° |
| C1 | C2 | C3 | H29 | 180.0° | 179.9° |
| C31 | C2 | C1 | H21 | 0.3° | 0.1° |
| C31 | C2 | C3 | H29 | 0.3° | 0.0° |
| C21 | C20 | N2 | H15 | 118.8° | 119.1° |
| C21 | C20 | N2 | H16 | 118.8° | 119.3° |
| C20 | C21 | C18 | C17 | 178.5° | 180.0° |
| C20 | C21 | C18 | C19 | 0.6° | 0.0° |
| C21 | C20 | N2 | C19 | 1.8° | 0.1° |
| C21 | C20 | N2 | C22 | 173.6° | 180.0° |
| C21 | C20 | H15 | H16 | 123.6° | 121.6° |
| C18 | C21 | C20 | N2 | 0.7° | 0.1° |
| C21 | C18 | C17 | C19 | 178.8° | 180.0° |
| C21 | C18 | C19 | N2 | 1.7° | 0.0° |
| C21 | C18 | C19 | O1 | 178.5° | 180.0° |
| C21 | C18 | C17 | H14 | 179.7° | 180.0° |
| C18 | C21 | C20 | H15 | 119.4° | 119.3° |
| C18 | C21 | C20 | H16 | 118.1° | 119.2° |
| C20 | N2 | C19 | C18 | 2.2° | 0.0° |
| C20 | N2 | C19 | C22 | 175.5° | 180.0° |
| C20 | N2 | C19 | O1 | 177.9° | 179.9° |
| C20 | N2 | C22 | C23 | 79.4° | 120.3° |
| C20 | N2 | C22 | C26 | 47.0° | 119.9° |
| N2 | C20 | H15 | H16 | 123.5° | 121.6° |
| C20 | N2 | C22 | H17 | 162.8° | 0.2° |
| C17 | C18 | C19 | N2 | 177.2° | 180.0° |
| C17 | C18 | C19 | O1 | 2.6° | 0.0° |
| C18 | C17 | C16 | H23 | 180.0° | 180.0° |
| C18 | C19 | N2 | O1 | 179.8° | 180.0° |
| C18 | C19 | N2 | C22 | 173.2° | 180.0° |
| C19 | C18 | C17 | H14 | 0.9° | 0.0° |
| C19 | N2 | C22 | C23 | 95.6° | 59.7° |
| C19 | N2 | C22 | C26 | 138.0° | 60.1° |
| C19 | N2 | C20 | H15 | 120.6° | 119.2° |
| C19 | N2 | C20 | H16 | 116.9° | 119.3° |
| C19 | N2 | C22 | H17 | 22.2° | 179.8° |
| C22 | N2 | C19 | O1 | 6.6° | 0.0° |
| N2 | C22 | C23 | C26 | 125.5° | 120.0° |
| N2 | C22 | C23 | H17 | 118.3° | 120.1° |
| N2 | C22 | C23 | C24 | 178.5° | 175.8° |
| N2 | C22 | C26 | O3 | 27.7° | 30.9° |
| N2 | C22 | C26 | H17 | 116.3° | 120.1° |
| N2 | C22 | C26 | N3 | 154.3° | 149.1° |
| C22 | N2 | C20 | H15 | 54.8° | 60.9° |
| C22 | N2 | C20 | H16 | 67.7° | 60.7° |
| N2 | C22 | C23 | H24 | 61.5° | 64.7° |
| N2 | C22 | C23 | H25 | 58.5° | 55.9° |
| C22 | C23 | C24 | H24 | 120.0° | 119.6° |
| C22 | C23 | C24 | H25 | 120.0° | 119.7° |
| C23 | C22 | C26 | O3 | 155.3° | 150.9° |
| C23 | C22 | C26 | H17 | 116.2° | 119.9° |
| C23 | C22 | C26 | N3 | 26.8° | 29.1° |
| C22 | C23 | C24 | C25 | 53.8° | 55.9° |
| C22 | C23 | C24 | H18 | 66.6° | 64.1° |
| C22 | C23 | C24 | H19 | 174.3° | 175.6° |
| C22 | C23 | H24 | H25 | 120.0° | 120.4° |
| C24 | C23 | C22 | C26 | 53.0° | 55.7° |
| C23 | C24 | C25 | N3 | 27.6° | 29.5° |
| C23 | C24 | C25 | H18 | 120.5° | 120.3° |
| C23 | C24 | C25 | H19 | 120.5° | 119.5° |
| C23 | C24 | C25 | O2 | 153.2° | 150.5° |
| C24 | C23 | C22 | H17 | 63.2° | 64.2° |
| C23 | C24 | H18 | H19 | 118.6° | 120.2° |
| C24 | C23 | H24 | H25 | 119.9° | 120.7° |
| O3 | C26 | C22 | N3 | 177.9° | 180.0° |
| O3 | C26 | N3 | C25 | 176.9° | 179.4° |
| O3 | C26 | N3 | H2 | 3.2° | 0.2° |
| O3 | C26 | C22 | H17 | 88.5° | 89.2° |
| C22 | C26 | N3 | C25 | 1.1° | 0.5° |
| C22 | C26 | N3 | H2 | 178.9° | 179.8° |
| C26 | C22 | C23 | H24 | 173.0° | 175.3° |
| C26 | C22 | C23 | H25 | 67.0° | 64.1° |
| C26 | N3 | C25 | H2 | 180.0° | 179.7° |
| C26 | N3 | C25 | C24 | 0.7° | 0.8° |
| C26 | N3 | C25 | O2 | 178.5° | 179.2° |
| N3 | C26 | C22 | H17 | 89.4° | 90.8° |
| N3 | C25 | C24 | O2 | 179.2° | 180.0° |
| N3 | C25 | C24 | H18 | 92.9° | 90.8° |
| N3 | C25 | C24 | H19 | 148.1° | 149.1° |
| C24 | C25 | N3 | H2 | 179.2° | 179.5° |
| C25 | C24 | H18 | H19 | 118.6° | 120.1° |
| C25 | C24 | C23 | H24 | 173.9° | 175.5° |
| C25 | C24 | C23 | H25 | 66.2° | 63.8° |
| O2 | C25 | N3 | H2 | 1.5° | 0.5° |
| O2 | C25 | C24 | H18 | 86.3° | 89.2° |
| O2 | C25 | C24 | H19 | 32.7° | 30.9° |
| H3 | C4 | C3 | H29 | 0.1° | 0.2° |
| H4 | C6 | C7 | H6 | 56.8° | 58.4° |
| H4 | C6 | C7 | H7 | 63.0° | 61.7° |
| H5 | C6 | C7 | H6 | 176.4° | 178.5° |
| H5 | C6 | C7 | H7 | 56.7° | 58.3° |
| H10 | C10 | C11 | H22 | 0.0° | 0.0° |
| H13 | C15 | C16 | H23 | 0.2° | 0.3° |
| H14 | C17 | C16 | H23 | 0.0° | 0.0° |
| H17 | C22 | C23 | H24 | 56.8° | 55.4° |
| H17 | C22 | C23 | H25 | 176.8° | 176.0° |
| H18 | C24 | C23 | H24 | 53.4° | 55.5° |
| H18 | C24 | C23 | H25 | 173.4° | 176.2° |
| H19 | C24 | C23 | H24 | 65.7° | 64.8° |
| H19 | C24 | C23 | H25 | 54.3° | 55.9° |
| H20 | C28 | C27 | H26 | 0.0° | 0.3° |
| H27 | C29 | C30 | H30 | 57.4° | 61.7° |
| H27 | C29 | C30 | H31 | 62.3° | 58.4° |
| H28 | C29 | C30 | H30 | 177.1° | 58.4° |
| H28 | C29 | C30 | H31 | 57.4° | 178.5° |
