9IW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C13 | doub | 1.21Å | 1.26Å | |
| O2 | C13 | sing | 1.34Å | 1.25Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | N2 | sing | 1.46Å | 1.44Å | |
| N2 | C11 | sing | 1.35Å | 1.33Å | |
| O1 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| N1 | C10 | doub | 1.34Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.31Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| O6 | C2 | sing | 1.36Å | 1.35Å | |
| O6 | C1 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | doub | 1.42Å | 1.44Å | Aromatic |
| C9 | O4 | sing | 1.36Å | 1.35Å | |
| C9 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C29 | C1 | sing | 1.53Å | 1.50Å | |
| C3 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C15 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | O5 | sing | 1.36Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| O5 | C14 | sing | 1.36Å | 1.39Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| O29 | C28 | doub | 1.22Å | 1.22Å | |
| C17 | C28 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C20 | sing | 1.48Å | 1.49Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C26 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | F30 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O30 | sing | 1.36Å | 1.37Å | |
| O30 | C31 | sing | 1.43Å | 1.43Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C13 | O2 | 126.7° | 120.0° |
| O3 | C13 | C12 | 116.4° | 120.0° |
| O2 | C13 | C12 | 116.9° | 120.0° |
| C13 | O2 | H10 | 109.5° | 117.0° |
| C13 | C12 | N2 | 111.0° | 109.5° |
| C13 | C12 | H8 | 109.1° | 109.5° |
| C13 | C12 | H9 | 109.1° | 109.5° |
| C12 | N2 | C11 | 122.2° | 120.0° |
| C12 | N2 | H7 | 118.9° | 120.0° |
| N2 | C12 | H8 | 109.1° | 109.5° |
| N2 | C12 | H9 | 109.1° | 109.5° |
| N2 | C11 | O1 | 125.0° | 120.0° |
| N2 | C11 | C10 | 113.2° | 120.0° |
| C11 | N2 | H7 | 118.9° | 120.0° |
| O1 | C11 | C10 | 121.4° | 120.0° |
| C11 | C10 | N1 | 116.8° | 119.3° |
| C11 | C10 | C9 | 121.3° | 119.4° |
| C10 | N1 | C2 | 120.2° | 122.6° |
| N1 | C10 | C9 | 121.8° | 121.3° |
| N1 | C2 | O6 | 118.3° | 119.8° |
| N1 | C2 | C3 | 122.9° | 120.3° |
| C10 | C9 | O4 | 119.4° | 120.7° |
| C10 | C9 | C8 | 119.3° | 118.5° |
| C2 | O6 | C1 | 119.1° | 117.0° |
| O6 | C2 | C3 | 118.7° | 119.9° |
| O6 | C1 | C29 | 108.0° | 109.4° |
| O6 | C1 | H2 | 109.8° | 109.5° |
| O6 | C1 | H3 | 109.8° | 109.4° |
| C2 | C3 | C8 | 117.6° | 118.9° |
| C2 | C3 | C4 | 123.6° | 121.7° |
| O4 | C9 | C8 | 121.3° | 120.7° |
| C9 | O4 | H11 | 109.5° | 114.0° |
| C9 | C8 | C3 | 118.2° | 118.3° |
| C9 | C8 | C7 | 122.6° | 121.9° |
| C29 | C1 | H2 | 109.9° | 109.5° |
| C29 | C1 | H3 | 109.9° | 109.5° |
| C1 | C29 | H22 | 109.5° | 109.4° |
| C1 | C29 | H23 | 109.4° | 109.5° |
| C1 | C29 | H24 | 109.4° | 109.5° |
| C8 | C3 | C4 | 118.7° | 119.4° |
| C3 | C8 | C7 | 119.2° | 119.8° |
| C3 | C4 | C5 | 119.9° | 119.5° |
| C3 | C4 | H4 | 120.0° | 120.3° |
| C8 | C7 | C6 | 120.9° | 119.7° |
| C8 | C7 | H5 | 119.6° | 120.1° |
| C27 | C15 | C16 | 121.5° | 120.0° |
| C27 | C15 | C14 | 120.6° | 119.9° |
| C15 | C27 | H19 | 109.5° | 109.4° |
| C15 | C27 | H20 | 109.5° | 109.5° |
| C15 | C27 | H21 | 109.5° | 109.5° |
| C4 | C5 | C6 | 121.4° | 120.7° |
| C4 | C5 | O5 | 121.4° | 119.7° |
| C5 | C4 | H4 | 120.0° | 120.2° |
| C7 | C6 | C5 | 119.8° | 120.9° |
| C7 | C6 | H1 | 120.1° | 119.6° |
| C6 | C7 | H5 | 119.6° | 120.1° |
| C6 | C5 | O5 | 117.2° | 119.6° |
| C5 | C6 | H1 | 120.1° | 119.5° |
| C5 | O5 | C14 | 117.2° | 118.0° |
| C16 | C15 | C14 | 117.9° | 120.1° |
| C15 | C16 | C17 | 120.9° | 119.9° |
| C15 | C16 | H12 | 119.5° | 120.0° |
| C15 | C14 | O5 | 116.7° | 119.9° |
| C15 | C14 | C19 | 123.3° | 120.1° |
| C16 | C17 | C28 | 117.3° | 120.1° |
| C16 | C17 | C18 | 119.6° | 119.8° |
| C17 | C16 | H12 | 119.5° | 120.1° |
| O5 | C14 | C19 | 119.9° | 120.0° |
| C14 | C19 | C18 | 117.5° | 120.2° |
| C14 | C19 | C26 | 121.0° | 119.9° |
| O29 | C28 | C17 | 118.0° | 120.0° |
| O29 | C28 | C20 | 118.9° | 120.0° |
| C28 | C17 | C18 | 123.0° | 120.1° |
| C17 | C28 | C20 | 123.1° | 120.0° |
| C17 | C18 | C19 | 120.8° | 119.9° |
| C17 | C18 | H6 | 119.6° | 120.1° |
| C28 | C20 | C21 | 118.0° | 120.1° |
| C28 | C20 | C25 | 123.2° | 120.1° |
| C18 | C19 | C26 | 121.4° | 120.0° |
| C19 | C18 | H6 | 119.6° | 120.0° |
| C19 | C26 | H16 | 109.5° | 109.5° |
| C19 | C26 | H17 | 109.5° | 109.4° |
| C19 | C26 | H18 | 109.5° | 109.4° |
| C21 | C20 | C25 | 118.8° | 119.8° |
| C20 | C21 | C22 | 119.7° | 119.9° |
| C20 | C21 | H13 | 120.1° | 120.1° |
| C20 | C25 | C24 | 120.4° | 119.8° |
| C20 | C25 | H15 | 119.8° | 120.1° |
| C21 | C22 | F30 | 118.8° | 119.9° |
| C21 | C22 | C23 | 122.6° | 120.2° |
| C22 | C21 | H13 | 120.2° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.1° |
| C25 | C24 | O30 | 120.9° | 120.0° |
| C24 | C25 | H15 | 119.8° | 120.0° |
| F30 | C22 | C23 | 118.5° | 119.9° |
| C22 | C23 | C24 | 118.3° | 120.2° |
| C22 | C23 | H14 | 120.8° | 119.9° |
| C23 | C24 | O30 | 119.0° | 119.9° |
| C24 | C23 | H14 | 120.8° | 119.9° |
| C24 | O30 | C31 | 118.3° | 117.0° |
| O30 | C31 | H25 | 109.5° | 109.4° |
| O30 | C31 | H26 | 109.5° | 109.5° |
| O30 | C31 | H27 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H16 | C26 | H17 | 109.4° | 109.5° |
| H16 | C26 | H18 | 109.4° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.4° |
| H22 | C29 | H24 | 109.5° | 109.4° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C13 | O2 | C12 | 178.5° | 180.0° |
| O3 | C13 | C12 | N2 | 11.0° | 0.0° |
| O3 | C13 | C12 | H8 | 109.2° | 120.0° |
| O3 | C13 | C12 | H9 | 131.3° | 120.0° |
| O3 | C13 | O2 | H10 | 0.0° | 0.0° |
| O2 | C13 | C12 | N2 | 167.7° | 180.0° |
| O2 | C13 | C12 | H8 | 72.1° | 60.0° |
| O2 | C13 | C12 | H9 | 47.4° | 60.0° |
| C13 | C12 | N2 | H8 | 120.3° | 120.0° |
| C13 | C12 | N2 | H9 | 120.2° | 120.0° |
| C13 | C12 | N2 | C11 | 72.9° | 180.0° |
| C13 | C12 | N2 | H7 | 107.1° | 0.0° |
| C13 | C12 | H8 | H9 | 119.3° | 120.0° |
| C12 | C13 | O2 | H10 | 178.5° | 180.0° |
| C12 | N2 | C11 | H7 | 180.0° | 180.0° |
| C12 | N2 | C11 | O1 | 12.9° | 0.0° |
| C12 | N2 | C11 | C10 | 160.3° | 180.0° |
| N2 | C12 | H8 | H9 | 119.3° | 120.0° |
| N2 | C11 | O1 | C10 | 172.6° | 180.0° |
| N2 | C11 | C10 | N1 | 10.5° | 0.0° |
| N2 | C11 | C10 | C9 | 166.8° | 180.0° |
| C11 | N2 | C12 | H8 | 166.8° | 60.0° |
| C11 | N2 | C12 | H9 | 47.3° | 60.0° |
| O1 | C11 | C10 | N1 | 176.0° | 180.0° |
| O1 | C11 | C10 | C9 | 6.7° | 0.0° |
| O1 | C11 | N2 | H7 | 167.1° | 180.0° |
| C11 | C10 | N1 | C9 | 177.3° | 179.9° |
| C11 | C10 | N1 | C2 | 178.0° | 179.5° |
| C11 | C10 | C9 | O4 | 3.0° | 0.1° |
| C11 | C10 | C9 | C8 | 177.7° | 180.0° |
| C10 | C11 | N2 | H7 | 19.7° | 0.0° |
| C10 | N1 | C2 | O6 | 176.6° | 179.5° |
| C10 | N1 | C2 | C3 | 0.4° | 0.5° |
| N1 | C10 | C9 | O4 | 179.8° | 180.0° |
| N1 | C10 | C9 | C8 | 0.6° | 0.1° |
| C2 | N1 | C10 | C9 | 0.8° | 0.6° |
| N1 | C2 | O6 | C3 | 177.1° | 179.9° |
| N1 | C2 | O6 | C1 | 97.2° | 0.0° |
| N1 | C2 | C3 | C8 | 0.1° | 0.0° |
| N1 | C2 | C3 | C4 | 179.6° | 179.2° |
| C10 | C9 | O4 | C8 | 179.2° | 179.9° |
| C10 | C9 | C8 | C3 | 0.0° | 0.4° |
| C10 | C9 | C8 | C7 | 179.8° | 180.0° |
| C10 | C9 | O4 | H11 | 0.1° | 90.0° |
| C2 | O6 | C1 | C29 | 59.3° | 180.0° |
| O6 | C2 | C3 | C8 | 177.1° | 180.0° |
| O6 | C2 | C3 | C4 | 2.6° | 0.8° |
| C2 | O6 | C1 | H2 | 60.5° | 60.0° |
| C2 | O6 | C1 | H3 | 179.1° | 60.0° |
| C1 | O6 | C2 | C3 | 85.7° | 180.0° |
| O6 | C1 | C29 | H2 | 119.8° | 120.0° |
| O6 | C1 | C29 | H3 | 119.8° | 119.9° |
| O6 | C1 | H2 | H3 | 120.6° | 119.9° |
| O6 | C1 | C29 | H22 | 180.0° | 180.0° |
| O6 | C1 | C29 | H23 | 60.0° | 60.0° |
| O6 | C1 | C29 | H24 | 60.0° | 60.0° |
| C2 | C3 | C8 | C9 | 0.3° | 0.4° |
| C2 | C3 | C8 | C4 | 179.7° | 179.2° |
| C2 | C3 | C8 | C7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 179.2° | 179.7° |
| C2 | C3 | C4 | H4 | 0.8° | 0.3° |
| O4 | C9 | C8 | C3 | 179.2° | 179.5° |
| O4 | C9 | C8 | C7 | 0.6° | 0.1° |
| C9 | C8 | C3 | C7 | 179.8° | 179.6° |
| C9 | C8 | C3 | C4 | 179.4° | 179.7° |
| C9 | C8 | C7 | C6 | 180.0° | 180.0° |
| C9 | C8 | C7 | H5 | 0.1° | 0.4° |
| C8 | C9 | O4 | H11 | 179.3° | 90.0° |
| C29 | C1 | H2 | H3 | 120.7° | 120.1° |
| C1 | C29 | H22 | H23 | 120.0° | 120.0° |
| C1 | C29 | H22 | H24 | 120.0° | 120.0° |
| C1 | C29 | H23 | H24 | 119.9° | 120.1° |
| C8 | C3 | C4 | C5 | 1.1° | 0.5° |
| C3 | C8 | C7 | C6 | 0.2° | 0.4° |
| C8 | C3 | C4 | H4 | 178.9° | 179.5° |
| C3 | C8 | C7 | H5 | 179.7° | 180.0° |
| C4 | C3 | C8 | C7 | 0.4° | 0.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | O5 | 179.5° | 179.7° |
| C8 | C7 | C6 | H5 | 180.0° | 179.6° |
| C8 | C7 | C6 | C5 | 0.2° | 0.1° |
| C8 | C7 | C6 | H1 | 179.8° | 180.0° |
| C27 | C15 | C16 | C14 | 179.7° | 180.0° |
| C27 | C15 | C16 | C17 | 179.1° | 180.0° |
| C27 | C15 | C14 | O5 | 2.4° | 0.0° |
| C27 | C15 | C14 | C19 | 179.4° | 179.7° |
| C27 | C15 | C16 | H12 | 0.9° | 0.0° |
| C15 | C27 | H19 | H20 | 120.0° | 120.0° |
| C15 | C27 | H19 | H21 | 120.0° | 120.0° |
| C15 | C27 | H20 | H21 | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.3° |
| C4 | C5 | C6 | O5 | 179.4° | 179.8° |
| C4 | C5 | O5 | C14 | 154.9° | 179.8° |
| C4 | C5 | C6 | H1 | 179.5° | 179.8° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | O5 | 179.9° | 180.0° |
| C6 | C5 | O5 | C14 | 24.4° | 0.0° |
| C6 | C5 | C4 | H4 | 178.8° | 180.0° |
| C5 | C6 | C7 | H5 | 179.8° | 179.5° |
| C5 | O5 | C14 | C15 | 69.8° | 89.7° |
| C5 | O5 | C14 | C19 | 107.3° | 90.0° |
| O5 | C5 | C6 | H1 | 0.1° | 0.0° |
| O5 | C5 | C4 | H4 | 0.5° | 0.2° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | O5 | 177.8° | 180.0° |
| C16 | C15 | C14 | C19 | 0.9° | 0.3° |
| C15 | C16 | C17 | C28 | 178.5° | 180.0° |
| C15 | C16 | C17 | C18 | 2.1° | 0.3° |
| C16 | C15 | C27 | H19 | 90.1° | 90.0° |
| C16 | C15 | C27 | H20 | 149.9° | 150.0° |
| C16 | C15 | C27 | H21 | 29.9° | 30.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C14 | O5 | C19 | 177.1° | 179.7° |
| C15 | C14 | C19 | C18 | 0.9° | 0.2° |
| C15 | C14 | C19 | C26 | 179.3° | 180.0° |
| C14 | C15 | C16 | H12 | 179.3° | 180.0° |
| C14 | C15 | C27 | H19 | 90.1° | 90.0° |
| C14 | C15 | C27 | H20 | 29.9° | 30.0° |
| C14 | C15 | C27 | H21 | 149.8° | 150.0° |
| C16 | C17 | C28 | O29 | 56.3° | 145.8° |
| C16 | C17 | C28 | C18 | 176.3° | 179.7° |
| C16 | C17 | C28 | C20 | 122.9° | 34.2° |
| C16 | C17 | C18 | C19 | 2.1° | 0.3° |
| C16 | C17 | C18 | H6 | 178.0° | 179.8° |
| O5 | C14 | C19 | C18 | 177.8° | 179.9° |
| O5 | C14 | C19 | C26 | 2.5° | 0.3° |
| C14 | C19 | C18 | C17 | 0.6° | 0.0° |
| C14 | C19 | C18 | C26 | 179.7° | 179.7° |
| C14 | C19 | C18 | H6 | 179.4° | 179.9° |
| C14 | C19 | C26 | H16 | 90.2° | 90.0° |
| C14 | C19 | C26 | H17 | 149.9° | 150.0° |
| C14 | C19 | C26 | H18 | 29.8° | 30.1° |
| O29 | C28 | C17 | C20 | 179.2° | 180.0° |
| O29 | C28 | C17 | C18 | 119.9° | 33.9° |
| O29 | C28 | C20 | C21 | 9.3° | 172.4° |
| O29 | C28 | C20 | C25 | 170.0° | 7.8° |
| C28 | C17 | C18 | C19 | 178.2° | 180.0° |
| C17 | C28 | C20 | C21 | 169.9° | 7.6° |
| C17 | C28 | C20 | C25 | 10.8° | 172.1° |
| C28 | C17 | C18 | H6 | 1.8° | 0.1° |
| C28 | C17 | C16 | H12 | 1.5° | 0.0° |
| C18 | C17 | C28 | C20 | 60.9° | 146.1° |
| C17 | C18 | C19 | H6 | 180.0° | 179.9° |
| C17 | C18 | C19 | C26 | 179.2° | 179.7° |
| C18 | C17 | C16 | H12 | 177.9° | 179.7° |
| C28 | C20 | C21 | C25 | 179.3° | 179.7° |
| C28 | C20 | C21 | C22 | 179.6° | 179.7° |
| C28 | C20 | C25 | C24 | 179.5° | 179.8° |
| C28 | C20 | C21 | H13 | 0.4° | 0.3° |
| C28 | C20 | C25 | H15 | 0.5° | 0.3° |
| C18 | C19 | C26 | H16 | 90.1° | 89.8° |
| C18 | C19 | C26 | H17 | 29.9° | 30.3° |
| C18 | C19 | C26 | H18 | 149.9° | 150.2° |
| C26 | C19 | C18 | H6 | 0.8° | 0.2° |
| C19 | C26 | H16 | H17 | 120.0° | 120.0° |
| C19 | C26 | H16 | H18 | 120.0° | 120.0° |
| C19 | C26 | H17 | H18 | 120.0° | 119.9° |
| C20 | C21 | C22 | H13 | 180.0° | 180.0° |
| C21 | C20 | C25 | C24 | 0.2° | 0.1° |
| C20 | C21 | C22 | F30 | 179.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C21 | C20 | C25 | H15 | 179.8° | 180.0° |
| C25 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C25 | C24 | H15 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 0.0° | 0.1° |
| C20 | C25 | C24 | O30 | 179.5° | 179.9° |
| C25 | C20 | C21 | H13 | 179.7° | 180.0° |
| C21 | C22 | F30 | C23 | 179.8° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H14 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | O30 | 179.5° | 180.0° |
| C25 | C24 | O30 | C31 | 27.1° | 179.9° |
| C25 | C24 | C23 | H14 | 179.8° | 179.9° |
| F30 | C22 | C23 | C24 | 179.9° | 180.0° |
| F30 | C22 | C21 | H13 | 0.3° | 0.0° |
| F30 | C22 | C23 | H14 | 0.1° | 0.1° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | O30 | 179.7° | 180.0° |
| C23 | C22 | C21 | H13 | 179.9° | 179.9° |
| C23 | C24 | O30 | C31 | 153.3° | 0.0° |
| C23 | C24 | C25 | H15 | 180.0° | 180.0° |
| O30 | C24 | C23 | H14 | 0.3° | 0.0° |
| O30 | C24 | C25 | H15 | 0.5° | 0.0° |
| C24 | O30 | C31 | H25 | 180.0° | 60.0° |
| C24 | O30 | C31 | H26 | 60.0° | 59.9° |
| C24 | O30 | C31 | H27 | 60.0° | 180.0° |
| O30 | C31 | H25 | H26 | 120.0° | 120.0° |
| O30 | C31 | H25 | H27 | 120.0° | 120.0° |
| O30 | C31 | H26 | H27 | 120.0° | 120.0° |
| H1 | C6 | C7 | H5 | 0.2° | 0.5° |
| H2 | C1 | C29 | H22 | 60.2° | 60.0° |
| H2 | C1 | C29 | H23 | 179.8° | 180.0° |
| H2 | C1 | C29 | H24 | 59.8° | 60.0° |
| H3 | C1 | C29 | H22 | 60.2° | 60.0° |
| H3 | C1 | C29 | H23 | 59.8° | 59.9° |
| H3 | C1 | C29 | H24 | 179.8° | 180.0° |
| H7 | N2 | C12 | H8 | 13.2° | 120.0° |
| H7 | N2 | C12 | H9 | 132.7° | 120.0° |
| H16 | C26 | H17 | H18 | 120.0° | 120.1° |
| H19 | C27 | H20 | H21 | 120.0° | 120.1° |
| H22 | C29 | H23 | H24 | 120.1° | 119.9° |
| H25 | C31 | H26 | H27 | 120.0° | 120.0° |
