1T0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C10 | sing | 1.35Å | 1.32Å | |
| C9 | C10 | doub | 1.39Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | sing | 1.47Å | 1.45Å | |
| C8 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.32Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C6 | O | doub | 1.21Å | 1.21Å | |
| C12 | C14 | sing | 1.48Å | 1.46Å | |
| N | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C17 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.37Å | Aromatic |
| C3 | N4 | sing | 1.40Å | 1.42Å | |
| C18 | N4 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.55Å | 1.51Å | |
| C17 | N3 | sing | 1.35Å | 1.33Å | Aromatic |
| N4 | C22 | sing | 1.34Å | 1.35Å | |
| C15 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| N3 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
| N3 | C16 | sing | 1.47Å | 1.45Å | |
| C22 | C20 | sing | 1.51Å | 1.38Å | |
| C22 | O1 | doub | 1.21Å | 1.20Å | |
| C20 | C21 | sing | 1.47Å | 1.45Å | |
| C20 | C23 | sing | 1.53Å | 1.31Å | |
| C21 | N5 | trip | 1.14Å | 1.13Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C26 | sing | 1.53Å | 1.39Å | |
| C23 | C25 | sing | 1.53Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C10 | C9 | 118.3° | 120.0° |
| F | C10 | C11 | 117.7° | 119.9° |
| C10 | C9 | C8 | 118.7° | 120.2° |
| C9 | C10 | C11 | 123.9° | 120.1° |
| C10 | C9 | H27 | 120.6° | 119.9° |
| C9 | C8 | C7 | 120.6° | 119.9° |
| C9 | C8 | C13 | 119.0° | 120.2° |
| C8 | C9 | H27 | 120.7° | 119.9° |
| C10 | C11 | C12 | 118.2° | 119.8° |
| C10 | C11 | H9 | 120.9° | 120.1° |
| C8 | C7 | N1 | 112.9° | 109.5° |
| C7 | C8 | C13 | 120.2° | 119.9° |
| C8 | C7 | H4 | 108.6° | 109.5° |
| C8 | C7 | H5 | 108.6° | 109.5° |
| C7 | N1 | C6 | 119.9° | 120.0° |
| C7 | N1 | H1 | 120.0° | 119.9° |
| N1 | C7 | H4 | 108.6° | 109.4° |
| N1 | C7 | H5 | 108.6° | 109.5° |
| C8 | C13 | C12 | 120.5° | 119.9° |
| C8 | C13 | H10 | 119.8° | 120.0° |
| N1 | C6 | C5 | 116.2° | 120.0° |
| N1 | C6 | O | 122.7° | 120.0° |
| C6 | N1 | H1 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.6° | 119.8° |
| C11 | C12 | C14 | 119.8° | 120.1° |
| C12 | C11 | H9 | 120.9° | 120.1° |
| C13 | C12 | C14 | 120.5° | 120.1° |
| C12 | C13 | H10 | 119.8° | 120.0° |
| C5 | C6 | O | 121.1° | 120.0° |
| C6 | C5 | N | 117.9° | 119.7° |
| C6 | C5 | C4 | 118.6° | 119.7° |
| C12 | C14 | C17 | 126.4° | 126.2° |
| C12 | C14 | C15 | 128.3° | 126.2° |
| C5 | N | C1 | 118.0° | 121.8° |
| N | C5 | C4 | 123.5° | 120.6° |
| N | C1 | C | 116.5° | 119.4° |
| N | C1 | C2 | 122.0° | 121.0° |
| C | C1 | C2 | 121.6° | 119.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C5 | C4 | C3 | 118.6° | 119.0° |
| C5 | C4 | H3 | 120.7° | 120.5° |
| C1 | C2 | C3 | 119.4° | 119.3° |
| C1 | C2 | H2 | 120.3° | 120.4° |
| C4 | C3 | C2 | 118.6° | 118.3° |
| C4 | C3 | N4 | 120.4° | 120.9° |
| C3 | C4 | H3 | 120.7° | 120.5° |
| C2 | C3 | N4 | 120.8° | 120.8° |
| C3 | C2 | H2 | 120.3° | 120.4° |
| C17 | C14 | C15 | 105.3° | 107.6° |
| C14 | C17 | N3 | 106.4° | 107.6° |
| C14 | C17 | H15 | 126.8° | 126.2° |
| C14 | C15 | N2 | 111.7° | 108.1° |
| C14 | C15 | H11 | 124.1° | 126.0° |
| C3 | N4 | C18 | 122.9° | 124.3° |
| C3 | N4 | C22 | 112.5° | 124.4° |
| N4 | C18 | C19 | 103.2° | 105.5° |
| C18 | N4 | C22 | 112.9° | 111.3° |
| N4 | C18 | H16 | 111.0° | 110.2° |
| N4 | C18 | H17 | 111.0° | 110.2° |
| C18 | C19 | C20 | 103.4° | 101.8° |
| C19 | C18 | H16 | 111.0° | 110.2° |
| C19 | C18 | H17 | 111.0° | 110.2° |
| C18 | C19 | H18 | 111.0° | 111.0° |
| C18 | C19 | H19 | 111.0° | 111.0° |
| C17 | N3 | N2 | 112.3° | 108.3° |
| C17 | N3 | C16 | 127.7° | 125.8° |
| N3 | C17 | H15 | 126.8° | 126.2° |
| N4 | C22 | C20 | 108.6° | 110.2° |
| N4 | C22 | O1 | 124.9° | 124.8° |
| C15 | N2 | N3 | 104.3° | 108.5° |
| N2 | C15 | H11 | 124.2° | 125.9° |
| C19 | C20 | C22 | 106.1° | 104.2° |
| C19 | C20 | C21 | 111.2° | 110.5° |
| C19 | C20 | C23 | 116.9° | 110.5° |
| C20 | C19 | H18 | 111.0° | 110.9° |
| C20 | C19 | H19 | 111.0° | 111.0° |
| N2 | N3 | C16 | 120.0° | 125.9° |
| N3 | C16 | H12 | 109.5° | 109.5° |
| N3 | C16 | H13 | 109.5° | 109.5° |
| N3 | C16 | H14 | 109.5° | 109.5° |
| C20 | C22 | O1 | 126.4° | 125.0° |
| C22 | C20 | C21 | 105.1° | 110.5° |
| C22 | C20 | C23 | 105.4° | 110.6° |
| C21 | C20 | C23 | 111.1° | 110.5° |
| C20 | C21 | N5 | 173.2° | 180.0° |
| C20 | C23 | C24 | 108.0° | 115.6° |
| C20 | C23 | C26 | 122.8° | 117.5° |
| C20 | C23 | C25 | 114.7° | 117.5° |
| C24 | C23 | C26 | 123.3° | 117.5° |
| C24 | C23 | C25 | 118.5° | 117.5° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | C24 | H22 | 109.4° | 109.5° |
| C26 | C23 | C25 | 62.2° | 60.0° |
| C23 | C26 | C25 | 60.3° | 60.0° |
| C23 | C26 | H25 | 120.0° | 117.5° |
| C23 | C26 | H26 | 119.9° | 117.5° |
| C23 | C25 | C26 | 57.6° | 60.0° |
| C23 | C25 | H23 | 120.4° | 117.5° |
| C23 | C25 | H24 | 120.4° | 117.5° |
| C26 | C25 | H23 | 120.4° | 117.5° |
| C26 | C25 | H24 | 120.4° | 117.5° |
| C25 | C26 | H25 | 120.0° | 117.5° |
| C25 | C26 | H26 | 119.9° | 117.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.4° | 109.5° |
| H16 | C18 | H17 | 109.4° | 110.3° |
| H18 | C19 | H19 | 109.5° | 110.9° |
| H20 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 115.5° |
| H25 | C26 | H26 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C10 | C9 | C11 | 176.4° | 179.7° |
| F | C10 | C9 | C8 | 174.1° | 179.7° |
| F | C10 | C11 | C12 | 177.5° | 180.0° |
| F | C10 | C11 | H9 | 2.5° | 0.4° |
| F | C10 | C9 | H27 | 5.9° | 0.3° |
| C10 | C9 | C8 | H27 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 171.9° | 180.0° |
| C10 | C9 | C8 | C13 | 3.6° | 0.2° |
| C9 | C10 | C11 | C12 | 1.0° | 0.3° |
| C9 | C10 | C11 | H9 | 178.9° | 180.0° |
| C8 | C9 | C10 | C11 | 2.3° | 0.0° |
| C9 | C8 | C7 | C13 | 175.4° | 179.7° |
| C9 | C8 | C7 | N1 | 102.9° | 90.3° |
| C9 | C8 | C13 | C12 | 1.8° | 0.3° |
| C9 | C8 | C7 | H4 | 136.6° | 149.7° |
| C9 | C8 | C7 | H5 | 17.6° | 29.7° |
| C9 | C8 | C13 | H10 | 178.2° | 179.7° |
| C10 | C11 | C12 | H9 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 2.9° | 0.3° |
| C10 | C11 | C12 | C14 | 172.1° | 179.9° |
| C11 | C10 | C9 | H27 | 177.7° | 180.0° |
| C8 | C7 | N1 | H4 | 120.5° | 120.0° |
| C8 | C7 | N1 | H5 | 120.5° | 120.0° |
| C8 | C7 | N1 | C6 | 104.6° | 180.0° |
| C7 | C8 | C13 | C12 | 173.8° | 180.0° |
| C8 | C7 | N1 | H1 | 75.5° | 0.3° |
| C8 | C7 | H4 | H5 | 118.4° | 120.0° |
| C7 | C8 | C13 | H10 | 6.2° | 0.0° |
| C7 | C8 | C9 | H27 | 8.1° | 0.0° |
| N1 | C7 | C8 | C13 | 72.6° | 90.0° |
| C7 | N1 | C6 | H1 | 180.0° | 179.7° |
| C7 | N1 | C6 | C5 | 166.6° | 179.7° |
| C7 | N1 | C6 | O | 11.1° | 0.3° |
| N1 | C7 | H4 | H5 | 118.4° | 120.0° |
| C8 | C13 | C12 | C11 | 1.5° | 0.0° |
| C8 | C13 | C12 | H10 | 180.0° | 180.0° |
| C8 | C13 | C12 | C14 | 173.4° | 179.8° |
| C13 | C8 | C7 | H4 | 48.0° | 30.0° |
| C13 | C8 | C7 | H5 | 166.9° | 150.0° |
| C13 | C8 | C9 | H27 | 176.4° | 179.8° |
| N1 | C6 | C5 | O | 177.8° | 180.0° |
| N1 | C6 | C5 | N | 33.1° | 0.6° |
| N1 | C6 | C5 | C4 | 147.4° | 180.0° |
| C6 | N1 | C7 | H4 | 16.0° | 60.0° |
| C6 | N1 | C7 | H5 | 134.9° | 60.0° |
| C11 | C12 | C13 | C14 | 175.0° | 179.8° |
| C11 | C12 | C14 | C17 | 5.6° | 0.0° |
| C11 | C12 | C14 | C15 | 173.6° | 179.5° |
| C11 | C12 | C13 | H10 | 178.5° | 180.0° |
| C13 | C12 | C14 | C17 | 179.5° | 179.8° |
| C13 | C12 | C14 | C15 | 1.3° | 0.7° |
| C13 | C12 | C11 | H9 | 177.1° | 180.0° |
| C6 | C5 | N | C4 | 179.5° | 179.4° |
| C6 | C5 | N | C1 | 179.3° | 179.7° |
| C6 | C5 | C4 | C3 | 179.6° | 180.0° |
| C5 | C6 | N1 | H1 | 13.3° | 0.0° |
| C6 | C5 | C4 | H3 | 0.4° | 0.5° |
| O | C6 | C5 | N | 149.1° | 179.4° |
| O | C6 | C5 | C4 | 30.4° | 0.0° |
| O | C6 | N1 | H1 | 168.9° | 180.0° |
| C12 | C14 | C17 | C15 | 179.3° | 179.6° |
| C12 | C14 | C17 | N3 | 179.7° | 180.0° |
| C12 | C14 | C15 | N2 | 179.7° | 179.8° |
| C14 | C12 | C11 | H9 | 7.9° | 0.3° |
| C14 | C12 | C13 | H10 | 6.6° | 0.2° |
| C12 | C14 | C15 | H11 | 0.3° | 0.4° |
| C12 | C14 | C17 | H15 | 0.3° | 0.4° |
| C5 | N | C1 | C | 179.3° | 180.0° |
| C5 | N | C1 | C2 | 0.5° | 0.0° |
| N | C5 | C4 | C3 | 0.1° | 0.6° |
| N | C5 | C4 | H3 | 179.9° | 180.0° |
| N | C1 | C | C2 | 179.8° | 179.9° |
| C1 | N | C5 | C4 | 0.2° | 0.3° |
| N | C1 | C2 | C3 | 0.4° | 0.1° |
| N | C1 | C2 | H2 | 179.6° | 179.7° |
| N | C1 | C | H6 | 0.0° | 90.0° |
| N | C1 | C | H7 | 120.0° | 30.1° |
| N | C1 | C | H8 | 120.0° | 150.0° |
| C | C1 | C2 | C3 | 179.4° | 180.0° |
| C | C1 | C2 | H2 | 0.6° | 0.2° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H8 | 120.0° | 119.9° |
| C1 | C | H7 | H8 | 120.0° | 119.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.5° |
| C5 | C4 | C3 | C2 | 0.2° | 0.5° |
| C5 | C4 | C3 | N4 | 174.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | N4 | 173.8° | 179.7° |
| C2 | C1 | C | H6 | 179.8° | 90.0° |
| C2 | C1 | C | H7 | 59.8° | 150.0° |
| C2 | C1 | C | H8 | 60.2° | 30.0° |
| C4 | C3 | C2 | N4 | 173.9° | 179.9° |
| C4 | C3 | N4 | C18 | 85.7° | 0.2° |
| C4 | C3 | N4 | C22 | 134.1° | 179.9° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C2 | C3 | N4 | C18 | 100.5° | 179.7° |
| C2 | C3 | N4 | C22 | 39.7° | 0.0° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C14 | C17 | N3 | H15 | 180.0° | 179.6° |
| C17 | C14 | C15 | N2 | 0.4° | 0.2° |
| C14 | C17 | N3 | N2 | 0.3° | 0.4° |
| C14 | C17 | N3 | C16 | 179.9° | 179.9° |
| C17 | C14 | C15 | H11 | 179.6° | 180.0° |
| C15 | C14 | C17 | N3 | 0.4° | 0.4° |
| C14 | C15 | N2 | H11 | 180.0° | 179.8° |
| C14 | C15 | N2 | N3 | 0.2° | 0.0° |
| C15 | C14 | C17 | H15 | 179.6° | 180.0° |
| C3 | N4 | C18 | C22 | 140.1° | 179.8° |
| C3 | N4 | C18 | C19 | 141.6° | 163.2° |
| C3 | N4 | C22 | C20 | 161.1° | 179.8° |
| C3 | N4 | C22 | O1 | 22.3° | 0.2° |
| N4 | C3 | C2 | H2 | 6.2° | 0.1° |
| N4 | C3 | C4 | H3 | 6.0° | 0.1° |
| C3 | N4 | C18 | H16 | 99.4° | 44.3° |
| C3 | N4 | C18 | H17 | 22.6° | 77.8° |
| N4 | C18 | C19 | H16 | 119.0° | 119.0° |
| N4 | C18 | C19 | H17 | 119.0° | 119.0° |
| N4 | C18 | C19 | C20 | 12.5° | 25.4° |
| C18 | N4 | C22 | C20 | 16.8° | 0.4° |
| C18 | N4 | C22 | O1 | 166.6° | 179.5° |
| N4 | C18 | H16 | H17 | 122.9° | 122.0° |
| N4 | C18 | C19 | H18 | 131.5° | 92.7° |
| N4 | C18 | C19 | H19 | 106.5° | 143.5° |
| C19 | C18 | N4 | C22 | 1.5° | 17.0° |
| C18 | C19 | C20 | H18 | 119.0° | 118.1° |
| C18 | C19 | C20 | H19 | 119.0° | 118.1° |
| C18 | C19 | C20 | C22 | 22.5° | 24.8° |
| C18 | C19 | C20 | C21 | 136.2° | 93.9° |
| C18 | C19 | C20 | C23 | 94.7° | 143.6° |
| C19 | C18 | H16 | H17 | 122.9° | 122.0° |
| C18 | C19 | H18 | H19 | 122.8° | 123.8° |
| C17 | N3 | N2 | C15 | 0.1° | 0.2° |
| C17 | N3 | N2 | C16 | 179.6° | 179.7° |
| C17 | N3 | C16 | H12 | 179.6° | 89.8° |
| C17 | N3 | C16 | H13 | 60.4° | 30.3° |
| C17 | N3 | C16 | H14 | 59.6° | 150.3° |
| N4 | C22 | C20 | C19 | 24.3° | 16.3° |
| N4 | C22 | C20 | O1 | 176.5° | 179.9° |
| N4 | C22 | C20 | C21 | 142.2° | 102.4° |
| N4 | C22 | C20 | C23 | 100.4° | 135.0° |
| C22 | N4 | C18 | H16 | 120.5° | 136.0° |
| C22 | N4 | C18 | H17 | 117.5° | 102.0° |
| C15 | N2 | N3 | C16 | 179.7° | 180.0° |
| C19 | C20 | C22 | C21 | 117.9° | 118.7° |
| C19 | C20 | C22 | C23 | 124.7° | 118.7° |
| C19 | C20 | C22 | O1 | 159.2° | 163.8° |
| C19 | C20 | C21 | C23 | 132.1° | 122.5° |
| C19 | C20 | C21 | N5 | 135.5° | 102.1° |
| C19 | C20 | C23 | C24 | 50.8° | 34.4° |
| C19 | C20 | C23 | C26 | 102.9° | 180.0° |
| C19 | C20 | C23 | C25 | 174.6° | 111.4° |
| C20 | C19 | C18 | H16 | 106.5° | 144.4° |
| C20 | C19 | C18 | H17 | 131.5° | 93.6° |
| C20 | C19 | H18 | H19 | 122.8° | 123.8° |
| N3 | N2 | C15 | H11 | 179.8° | 179.8° |
| N2 | N3 | C16 | H12 | 0.0° | 89.9° |
| N2 | N3 | C16 | H13 | 120.0° | 150.0° |
| N2 | N3 | C16 | H14 | 120.0° | 30.0° |
| N2 | N3 | C17 | H15 | 179.7° | 180.0° |
| N3 | C16 | H12 | H13 | 120.0° | 120.1° |
| N3 | C16 | H12 | H14 | 120.0° | 119.9° |
| N3 | C16 | H13 | H14 | 120.0° | 120.0° |
| C16 | N3 | C17 | H15 | 0.1° | 0.3° |
| C22 | C20 | C21 | C23 | 113.5° | 122.7° |
| C22 | C20 | C21 | N5 | 21.2° | 12.6° |
| C22 | C20 | C23 | C24 | 66.8° | 149.2° |
| C22 | C20 | C23 | C26 | 139.5° | 65.2° |
| C22 | C20 | C23 | C25 | 67.9° | 3.4° |
| C22 | C20 | C19 | H18 | 141.6° | 93.3° |
| C22 | C20 | C19 | H19 | 96.5° | 142.9° |
| O1 | C22 | C20 | C21 | 41.3° | 77.6° |
| O1 | C22 | C20 | C23 | 76.2° | 45.1° |
| C21 | C20 | C23 | C24 | 179.9° | 88.2° |
| C21 | C20 | C23 | C26 | 26.2° | 57.5° |
| C21 | C20 | C23 | C25 | 45.4° | 126.1° |
| C21 | C20 | C19 | H18 | 104.7° | 148.0° |
| C21 | C20 | C19 | H19 | 17.2° | 24.2° |
| C23 | C20 | C21 | N5 | 92.4° | 135.3° |
| C20 | C23 | C24 | C26 | 153.5° | 145.6° |
| C20 | C23 | C24 | C25 | 132.7° | 145.8° |
| C20 | C23 | C26 | C25 | 102.9° | 107.5° |
| C23 | C20 | C19 | H18 | 24.3° | 25.5° |
| C23 | C20 | C19 | H19 | 146.3° | 98.3° |
| C20 | C23 | C24 | H20 | 180.0° | 60.0° |
| C20 | C23 | C24 | H21 | 60.0° | 180.0° |
| C20 | C23 | C24 | H22 | 60.0° | 60.1° |
| C20 | C23 | C25 | H23 | 6.7° | 0.0° |
| C20 | C23 | C25 | H24 | 135.7° | 145.0° |
| C20 | C23 | C26 | H25 | 147.6° | 145.0° |
| C20 | C23 | C26 | H26 | 6.6° | 0.0° |
| C24 | C23 | C26 | C25 | 107.4° | 107.5° |
| C23 | C24 | H20 | H21 | 120.0° | 120.0° |
| C23 | C24 | H20 | H22 | 120.0° | 120.0° |
| C23 | C24 | H21 | H22 | 120.0° | 120.0° |
| C24 | C23 | C25 | H23 | 136.4° | 145.0° |
| C24 | C23 | C25 | H24 | 6.0° | 0.0° |
| C24 | C23 | C26 | H25 | 2.2° | 0.0° |
| C24 | C23 | C26 | H26 | 143.1° | 145.0° |
| C23 | C26 | C25 | H25 | 109.6° | 107.5° |
| C23 | C26 | C25 | H26 | 109.5° | 107.5° |
| C26 | C23 | C24 | H20 | 26.5° | 85.7° |
| C26 | C23 | C24 | H21 | 146.5° | 34.3° |
| C26 | C23 | C24 | H22 | 93.5° | 154.3° |
| C26 | C23 | C25 | H23 | 108.8° | 107.5° |
| C26 | C23 | C25 | H24 | 108.8° | 107.5° |
| C23 | C26 | H25 | H26 | 144.6° | 145.6° |
| C25 | C23 | C24 | H20 | 47.3° | 154.3° |
| C25 | C23 | C24 | H21 | 72.7° | 34.3° |
| C25 | C23 | C24 | H22 | 167.3° | 85.7° |
| C23 | C25 | H23 | H24 | 146.1° | 145.7° |
| C26 | C25 | H23 | H24 | 146.1° | 145.7° |
| C25 | C26 | H25 | H26 | 144.6° | 145.7° |
| H1 | N1 | C7 | H4 | 164.0° | 120.3° |
| H1 | N1 | C7 | H5 | 45.1° | 119.7° |
| H6 | C | H7 | H8 | 120.0° | 120.1° |
| H12 | C16 | H13 | H14 | 120.0° | 119.9° |
| H16 | C18 | C19 | H18 | 12.5° | 26.3° |
| H16 | C18 | C19 | H19 | 134.5° | 97.5° |
| H17 | C18 | C19 | H18 | 109.5° | 148.4° |
| H17 | C18 | C19 | H19 | 12.5° | 24.5° |
| H20 | C24 | H21 | H22 | 120.0° | 120.0° |
| H23 | C25 | C26 | H25 | 141.7° | 145.0° |
| H23 | C25 | C26 | H26 | 0.8° | 0.0° |
| H24 | C25 | C26 | H25 | 0.7° | 0.0° |
| H24 | C25 | C26 | H26 | 141.6° | 145.0° |
