A1IPT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C9 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.50Å | |
| C12 | O3 | doub | 1.22Å | 1.26Å | |
| C12 | O4 | sing | 1.35Å | 1.25Å | |
| C11 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.47Å | |
| C16 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C17 | sing | 1.35Å | 1.40Å | |
| C17 | O5 | doub | 1.21Å | 1.21Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | CL1 | sing | 1.74Å | 1.74Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | F1 | sing | 1.40Å | 1.33Å | |
| C24 | F2 | sing | 1.40Å | 1.33Å | |
| C24 | F3 | sing | 1.40Å | 1.32Å | |
| N3 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | CL2 | sing | 1.74Å | 1.74Å | |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C30 | sing | 1.47Å | 1.43Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 123.3° | 120.0° |
| C1 | N1 | H4 | 118.4° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C2 | O1 | 122.2° | 120.0° |
| N1 | C2 | C3 | 115.8° | 120.0° |
| C2 | N1 | H4 | 118.4° | 120.0° |
| O1 | C2 | C3 | 122.0° | 120.0° |
| C2 | C3 | C4 | 116.9° | 120.2° |
| C2 | C3 | C31 | 123.8° | 120.2° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | C31 | 119.3° | 119.6° |
| C3 | C4 | H5 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C5 | C4 | H5 | 119.9° | 120.1° |
| C4 | C5 | H6 | 119.9° | 119.9° |
| C5 | C6 | C7 | 120.8° | 120.3° |
| C6 | C5 | H6 | 120.0° | 119.9° |
| C5 | C6 | H7 | 119.6° | 119.8° |
| C6 | C7 | C8 | 119.9° | 119.9° |
| C6 | C7 | C31 | 118.7° | 120.2° |
| C7 | C6 | H7 | 119.6° | 119.9° |
| C7 | C8 | O2 | 109.9° | 109.5° |
| C8 | C7 | C31 | 121.4° | 120.0° |
| C7 | C8 | H8 | 109.4° | 109.5° |
| C7 | C8 | H9 | 109.4° | 109.5° |
| C8 | O2 | C9 | 118.7° | 117.0° |
| O2 | C8 | H8 | 109.3° | 109.4° |
| O2 | C8 | H9 | 109.4° | 109.4° |
| O2 | C9 | C10 | 120.5° | 120.1° |
| O2 | C9 | C15 | 119.6° | 120.1° |
| C9 | C10 | C11 | 120.3° | 119.9° |
| C10 | C9 | C15 | 119.9° | 119.9° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C10 | C11 | C13 | 120.4° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C11 | C12 | O3 | 118.3° | 120.0° |
| C11 | C12 | O4 | 115.8° | 120.0° |
| C12 | C11 | C13 | 120.6° | 119.9° |
| O3 | C12 | O4 | 125.9° | 120.0° |
| C12 | O4 | H20 | 109.5° | 117.0° |
| C11 | C13 | C14 | 119.7° | 120.1° |
| C11 | C13 | H11 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.1° |
| C14 | C13 | H11 | 120.1° | 119.9° |
| C13 | C14 | H12 | 119.6° | 120.0° |
| C14 | C15 | C16 | 117.7° | 120.0° |
| C14 | C15 | C9 | 119.0° | 120.0° |
| C15 | C14 | H12 | 119.6° | 119.9° |
| C15 | C16 | N2 | 119.1° | 126.2° |
| C16 | C15 | C9 | 123.2° | 120.0° |
| C15 | C16 | C30 | 130.8° | 126.2° |
| C16 | N2 | N3 | 107.6° | 110.0° |
| N2 | C16 | C30 | 110.0° | 107.6° |
| N2 | N3 | C17 | 119.4° | 125.4° |
| N2 | N3 | C25 | 110.6° | 109.2° |
| N3 | C17 | O5 | 118.6° | 120.0° |
| N3 | C17 | C18 | 119.1° | 120.1° |
| C17 | N3 | C25 | 130.0° | 125.4° |
| O5 | C17 | C18 | 122.3° | 120.0° |
| C17 | C18 | C19 | 119.2° | 120.2° |
| C17 | C18 | C23 | 122.1° | 120.2° |
| C18 | C19 | CL1 | 121.2° | 120.1° |
| C18 | C19 | C20 | 121.5° | 119.8° |
| C19 | C18 | C23 | 118.6° | 119.6° |
| CL1 | C19 | C20 | 117.3° | 120.1° |
| C19 | C20 | C21 | 119.3° | 120.1° |
| C19 | C20 | H13 | 120.4° | 119.9° |
| C20 | C21 | C22 | 120.4° | 120.3° |
| C21 | C20 | H13 | 120.3° | 120.0° |
| C20 | C21 | H14 | 119.8° | 119.8° |
| C21 | C22 | C23 | 121.0° | 120.2° |
| C22 | C21 | H14 | 119.8° | 119.8° |
| C21 | C22 | H15 | 119.5° | 119.9° |
| C22 | C23 | C24 | 118.0° | 120.0° |
| C22 | C23 | C18 | 119.2° | 119.9° |
| C23 | C22 | H15 | 119.5° | 119.9° |
| C23 | C24 | F1 | 112.6° | 109.5° |
| C23 | C24 | F2 | 114.0° | 109.5° |
| C23 | C24 | F3 | 112.2° | 109.4° |
| C24 | C23 | C18 | 122.8° | 120.1° |
| F1 | C24 | F2 | 107.2° | 109.5° |
| F1 | C24 | F3 | 105.5° | 109.4° |
| F2 | C24 | F3 | 104.6° | 109.5° |
| N3 | C25 | C26 | 132.6° | 133.6° |
| N3 | C25 | C30 | 105.5° | 106.9° |
| C25 | C26 | C27 | 118.0° | 119.9° |
| C26 | C25 | C30 | 121.9° | 119.5° |
| C25 | C26 | H16 | 121.0° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.6° |
| C27 | C26 | H16 | 121.0° | 120.1° |
| C26 | C27 | H17 | 120.0° | 119.7° |
| C27 | C28 | CL2 | 118.4° | 119.8° |
| C27 | C28 | C29 | 123.1° | 120.4° |
| C28 | C27 | H17 | 120.0° | 119.7° |
| CL2 | C28 | C29 | 118.6° | 119.8° |
| C28 | C29 | C30 | 117.3° | 119.7° |
| C28 | C29 | H18 | 121.4° | 120.1° |
| C29 | C30 | C16 | 133.9° | 133.8° |
| C29 | C30 | C25 | 119.8° | 119.9° |
| C30 | C29 | H18 | 121.4° | 120.2° |
| C7 | C31 | C3 | 120.9° | 119.9° |
| C7 | C31 | H19 | 119.6° | 120.1° |
| C3 | C31 | H19 | 119.5° | 120.0° |
| C16 | C30 | C25 | 106.3° | 106.3° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 179.8° |
| C1 | N1 | C2 | O1 | 3.1° | 0.2° |
| C1 | N1 | C2 | C3 | 177.7° | 179.7° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.1° |
| N1 | C2 | O1 | C3 | 179.1° | 179.9° |
| N1 | C2 | C3 | C4 | 17.2° | 0.1° |
| N1 | C2 | C3 | C31 | 163.5° | 179.8° |
| C2 | N1 | C1 | H1 | 180.0° | 60.1° |
| C2 | N1 | C1 | H2 | 60.0° | 59.9° |
| C2 | N1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | C4 | 161.9° | 180.0° |
| O1 | C2 | C3 | C31 | 17.4° | 0.3° |
| O1 | C2 | N1 | H4 | 176.9° | 179.9° |
| C2 | C3 | C4 | C31 | 179.3° | 179.7° |
| C2 | C3 | C4 | C5 | 179.6° | 179.7° |
| C2 | C3 | C31 | C7 | 179.8° | 179.7° |
| C3 | C2 | N1 | H4 | 2.3° | 0.0° |
| C2 | C3 | C4 | H5 | 0.4° | 0.4° |
| C2 | C3 | C31 | H19 | 0.3° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C31 | C7 | 0.5° | 0.0° |
| C3 | C4 | C5 | H6 | 179.6° | 180.0° |
| C4 | C3 | C31 | H19 | 179.5° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C5 | C4 | C3 | C31 | 0.2° | 0.0° |
| C4 | C5 | C6 | H7 | 179.1° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.6° | 180.0° |
| C5 | C6 | C7 | C31 | 0.6° | 0.0° |
| C6 | C5 | C4 | H5 | 179.6° | 179.9° |
| C6 | C7 | C8 | C31 | 179.8° | 180.0° |
| C6 | C7 | C8 | O2 | 59.9° | 95.0° |
| C6 | C7 | C31 | C3 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 180.0° | 145.0° |
| C6 | C7 | C8 | H9 | 60.2° | 25.0° |
| C7 | C6 | C5 | H6 | 179.1° | 180.0° |
| C6 | C7 | C31 | H19 | 180.0° | 179.9° |
| C7 | C8 | O2 | H8 | 120.1° | 120.0° |
| C7 | C8 | O2 | H9 | 120.1° | 120.1° |
| C7 | C8 | O2 | C9 | 177.8° | 175.1° |
| C8 | C7 | C31 | C3 | 179.8° | 180.0° |
| C7 | C8 | H8 | H9 | 119.8° | 120.1° |
| C8 | C7 | C6 | H7 | 0.4° | 0.0° |
| C8 | C7 | C31 | H19 | 0.2° | 0.1° |
| C8 | O2 | C9 | C10 | 3.9° | 5.1° |
| O2 | C8 | C7 | C31 | 119.9° | 85.0° |
| C8 | O2 | C9 | C15 | 177.6° | 175.1° |
| O2 | C8 | H8 | H9 | 119.8° | 119.9° |
| O2 | C9 | C10 | C15 | 178.5° | 179.8° |
| O2 | C9 | C10 | C11 | 180.0° | 179.7° |
| O2 | C9 | C15 | C14 | 179.6° | 179.8° |
| O2 | C9 | C15 | C16 | 3.3° | 0.3° |
| C9 | O2 | C8 | H8 | 57.8° | 65.0° |
| C9 | O2 | C8 | H9 | 62.1° | 55.0° |
| O2 | C9 | C10 | H10 | 0.0° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 179.2° | 180.0° |
| C9 | C10 | C11 | C13 | 0.4° | 0.1° |
| C10 | C9 | C15 | C14 | 2.0° | 0.0° |
| C10 | C9 | C15 | C16 | 178.2° | 180.0° |
| C10 | C11 | C12 | C13 | 179.7° | 179.9° |
| C10 | C11 | C12 | O3 | 179.9° | 0.1° |
| C10 | C11 | C12 | O4 | 1.1° | 180.0° |
| C10 | C11 | C13 | C14 | 0.3° | 0.0° |
| C11 | C10 | C9 | C15 | 1.6° | 0.1° |
| C10 | C11 | C13 | H11 | 179.7° | 180.0° |
| C11 | C12 | O3 | O4 | 178.7° | 180.0° |
| C12 | C11 | C13 | C14 | 180.0° | 179.9° |
| C12 | C11 | C10 | H10 | 0.7° | 0.1° |
| C12 | C11 | C13 | H11 | 0.0° | 0.1° |
| C11 | C12 | O4 | H20 | 178.7° | 180.0° |
| O3 | C12 | C11 | C13 | 0.2° | 180.0° |
| O3 | C12 | O4 | H20 | 0.0° | 0.0° |
| O4 | C12 | C11 | C13 | 178.6° | 0.1° |
| C11 | C13 | C14 | H11 | 180.0° | 180.0° |
| C11 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C11 | C10 | H10 | 179.6° | 180.0° |
| C11 | C13 | C14 | H12 | 179.9° | 179.9° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 177.7° | 180.0° |
| C13 | C14 | C15 | C9 | 1.2° | 0.0° |
| C14 | C15 | C16 | C9 | 176.3° | 180.0° |
| C14 | C15 | C16 | N2 | 48.4° | 130.7° |
| C14 | C15 | C16 | C30 | 126.1° | 49.3° |
| C15 | C14 | C13 | H11 | 179.9° | 180.0° |
| C15 | C16 | N2 | C30 | 175.6° | 180.0° |
| C15 | C16 | N2 | N3 | 177.4° | 180.0° |
| C15 | C16 | C30 | C29 | 4.4° | 0.5° |
| C15 | C16 | C30 | C25 | 176.3° | 179.8° |
| C16 | C15 | C14 | H12 | 2.3° | 0.1° |
| C16 | N2 | N3 | C17 | 178.7° | 179.9° |
| C16 | N2 | N3 | C25 | 1.6° | 0.3° |
| N2 | C16 | C30 | C29 | 179.3° | 179.6° |
| N2 | C16 | C15 | C9 | 135.3° | 49.3° |
| N2 | C16 | C30 | C25 | 1.4° | 0.3° |
| N2 | N3 | C17 | C25 | 176.5° | 179.6° |
| N2 | N3 | C17 | O5 | 161.9° | 96.0° |
| N2 | N3 | C17 | C18 | 19.1° | 84.0° |
| N2 | N3 | C25 | C26 | 179.7° | 179.8° |
| N3 | N2 | C16 | C30 | 1.8° | 0.0° |
| N2 | N3 | C25 | C30 | 0.7° | 0.4° |
| N3 | C17 | O5 | C18 | 179.0° | 180.0° |
| N3 | C17 | C18 | C19 | 56.1° | 4.8° |
| C17 | N3 | C25 | C26 | 3.0° | 0.1° |
| N3 | C17 | C18 | C23 | 123.7° | 175.4° |
| C17 | N3 | C25 | C30 | 177.4° | 179.9° |
| O5 | C17 | C18 | C19 | 122.8° | 175.2° |
| O5 | C17 | N3 | C25 | 21.6° | 84.4° |
| O5 | C17 | C18 | C23 | 57.3° | 4.6° |
| C17 | C18 | C19 | C23 | 179.9° | 179.8° |
| C17 | C18 | C19 | CL1 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C17 | C18 | C23 | C22 | 179.2° | 179.7° |
| C17 | C18 | C23 | C24 | 0.8° | 0.1° |
| C18 | C17 | N3 | C25 | 157.4° | 95.6° |
| C18 | C19 | CL1 | C20 | 179.1° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.1° |
| C19 | C18 | C23 | C22 | 0.9° | 0.5° |
| C19 | C18 | C23 | C24 | 179.3° | 179.7° |
| C18 | C19 | C20 | H13 | 179.3° | 180.0° |
| CL1 | C19 | C20 | C21 | 179.9° | 180.0° |
| CL1 | C19 | C18 | C23 | 179.9° | 179.7° |
| CL1 | C19 | C20 | H13 | 0.1° | 0.1° |
| C19 | C20 | C21 | H13 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C19 | C18 | C23 | 0.9° | 0.2° |
| C19 | C20 | C21 | H14 | 179.3° | 179.9° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.9° | 0.3° |
| C20 | C21 | C22 | H15 | 179.2° | 180.0° |
| C21 | C22 | C23 | H15 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 179.4° | 179.7° |
| C21 | C22 | C23 | C18 | 1.0° | 0.6° |
| C22 | C21 | C20 | H13 | 179.3° | 179.9° |
| C22 | C23 | C24 | C18 | 178.4° | 179.8° |
| C22 | C23 | C24 | F1 | 90.8° | 0.2° |
| C22 | C23 | C24 | F2 | 146.7° | 120.3° |
| C22 | C23 | C24 | F3 | 28.1° | 119.8° |
| C23 | C22 | C21 | H14 | 179.2° | 179.8° |
| C23 | C24 | F1 | F2 | 126.2° | 120.0° |
| C23 | C24 | F1 | F3 | 122.7° | 119.9° |
| C23 | C24 | F2 | F3 | 122.8° | 119.9° |
| C24 | C23 | C22 | H15 | 0.6° | 0.1° |
| F1 | C24 | F2 | F3 | 111.7° | 120.0° |
| F1 | C24 | C23 | C18 | 87.6° | 180.0° |
| F2 | C24 | C23 | C18 | 34.9° | 59.9° |
| F3 | C24 | C23 | C18 | 153.5° | 60.0° |
| N3 | C25 | C26 | C30 | 179.5° | 179.8° |
| N3 | C25 | C26 | C27 | 179.5° | 179.9° |
| N3 | C25 | C30 | C29 | 179.8° | 179.8° |
| N3 | C25 | C30 | C16 | 0.4° | 0.4° |
| N3 | C25 | C26 | H16 | 0.5° | 0.0° |
| C25 | C26 | C27 | H16 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.3° |
| C26 | C25 | C30 | C16 | 179.3° | 179.7° |
| C25 | C26 | C27 | H17 | 179.5° | 179.9° |
| C26 | C27 | C28 | H17 | 180.0° | 179.9° |
| C26 | C27 | C28 | CL2 | 179.6° | 180.0° |
| C26 | C27 | C28 | C29 | 0.8° | 0.0° |
| C27 | C26 | C25 | C30 | 0.9° | 0.2° |
| C27 | C28 | CL2 | C29 | 179.7° | 180.0° |
| C27 | C28 | C29 | C30 | 1.5° | 0.2° |
| C28 | C27 | C26 | H16 | 179.5° | 180.0° |
| C27 | C28 | C29 | H18 | 178.5° | 180.0° |
| CL2 | C28 | C29 | C30 | 178.8° | 179.8° |
| CL2 | C28 | C27 | H17 | 0.4° | 0.0° |
| CL2 | C28 | C29 | H18 | 1.2° | 0.0° |
| C28 | C29 | C30 | H18 | 180.0° | 179.8° |
| C28 | C29 | C30 | C16 | 179.7° | 179.5° |
| C28 | C29 | C30 | C25 | 1.0° | 0.3° |
| C29 | C28 | C27 | H17 | 179.3° | 179.9° |
| C29 | C30 | C16 | C25 | 179.3° | 179.3° |
| C7 | C31 | C3 | H19 | 180.0° | 179.9° |
| C31 | C7 | C8 | H8 | 0.1° | 34.9° |
| C31 | C7 | C8 | H9 | 120.0° | 155.0° |
| C31 | C7 | C6 | H7 | 179.4° | 180.0° |
| C31 | C3 | C4 | H5 | 179.8° | 180.0° |
| C9 | C15 | C16 | C30 | 50.2° | 130.7° |
| C15 | C9 | C10 | H10 | 178.4° | 180.0° |
| C9 | C15 | C14 | H12 | 178.8° | 180.0° |
| C16 | C30 | C29 | H18 | 0.3° | 0.7° |
| C18 | C23 | C22 | H15 | 179.1° | 179.7° |
| C30 | C25 | C26 | H16 | 179.1° | 179.8° |
| C25 | C30 | C29 | H18 | 179.0° | 179.9° |
| H4 | N1 | C1 | H1 | 0.1° | 119.7° |
| H4 | N1 | C1 | H2 | 120.0° | 120.3° |
| H4 | N1 | C1 | H3 | 120.0° | 0.2° |
| H1 | C1 | H2 | H3 | 119.9° | 119.9° |
| H5 | C4 | C5 | H6 | 0.4° | 0.1° |
| H6 | C5 | C6 | H7 | 0.9° | 0.0° |
| H11 | C13 | C14 | H12 | 0.1° | 0.0° |
| H13 | C20 | C21 | H14 | 0.7° | 0.0° |
| H14 | C21 | C22 | H15 | 0.8° | 0.0° |
| H16 | C26 | C27 | H17 | 0.5° | 0.0° |
