A1CV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C26 | sing | 1.43Å | 1.43Å | |
| O3 | C27 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C28 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | N4 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C29 | doub | 1.22Å | 1.22Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C29 | sing | 1.35Å | 1.34Å | |
| N4 | C15 | sing | 1.36Å | 1.35Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | N3 | sing | 1.47Å | 1.48Å | |
| C17 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.37Å | 1.37Å | |
| N3 | C23 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N2 | doub | 1.31Å | 1.31Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C14 | sing | 1.36Å | 1.34Å | |
| C14 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C7 | sing | 1.39Å | 1.37Å | |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| O2 | C13 | doub | 1.21Å | 1.36Å | |
| C12 | C13 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | O1 | sing | 1.35Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O3 | C27 | 109.5° | 114.1° |
| O3 | C26 | C25 | 108.3° | 109.4° |
| O3 | C26 | H11 | 109.8° | 109.4° |
| O3 | C26 | H12 | 109.8° | 109.5° |
| O3 | C27 | C28 | 106.6° | 109.4° |
| O3 | C27 | H30 | 110.2° | 109.4° |
| O3 | C27 | H31 | 110.2° | 109.5° |
| C26 | C25 | C24 | 109.6° | 109.2° |
| C25 | C26 | H11 | 109.8° | 109.5° |
| C25 | C26 | H12 | 109.8° | 109.5° |
| C26 | C25 | H28 | 109.4° | 109.5° |
| C26 | C25 | H29 | 109.4° | 109.5° |
| C27 | C28 | C24 | 110.8° | 109.2° |
| C27 | C28 | H13 | 109.1° | 109.6° |
| C27 | C28 | H14 | 109.1° | 109.6° |
| C28 | C27 | H30 | 110.2° | 109.5° |
| C28 | C27 | H31 | 110.2° | 109.5° |
| C25 | C24 | C28 | 111.7° | 109.1° |
| C25 | C24 | N4 | 112.1° | 109.5° |
| C25 | C24 | H10 | 110.4° | 109.5° |
| C24 | C25 | H28 | 109.4° | 109.5° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C28 | C24 | N4 | 100.7° | 109.6° |
| C28 | C24 | H10 | 110.2° | 109.6° |
| C24 | C28 | H13 | 109.1° | 109.5° |
| C24 | C28 | H14 | 109.1° | 109.5° |
| C24 | N4 | C29 | 120.2° | 119.7° |
| C24 | N4 | C15 | 119.2° | 119.8° |
| N4 | C24 | H10 | 111.5° | 109.5° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H24 | 120.1° | 119.9° |
| C18 | C19 | H25 | 119.8° | 120.0° |
| C18 | C17 | C16 | 131.8° | 131.2° |
| C18 | C17 | C22 | 119.4° | 120.0° |
| C17 | C18 | H24 | 120.1° | 120.0° |
| O4 | C29 | N4 | 122.0° | 121.2° |
| O4 | C29 | C30 | 121.2° | 121.2° |
| C19 | C20 | C21 | 120.0° | 119.9° |
| C19 | C20 | H8 | 120.0° | 120.1° |
| C20 | C19 | H25 | 119.8° | 120.0° |
| C29 | N4 | C15 | 120.5° | 120.5° |
| N4 | C29 | C30 | 116.8° | 117.5° |
| N4 | C15 | N3 | 116.1° | 118.4° |
| N4 | C15 | N2 | 123.7° | 123.1° |
| C17 | C16 | N3 | 100.3° | 107.7° |
| C16 | C17 | C22 | 108.8° | 108.9° |
| C17 | C16 | H22 | 111.7° | 109.8° |
| C17 | C16 | H23 | 111.7° | 109.9° |
| C16 | N3 | C15 | 117.0° | 126.6° |
| C16 | N3 | C23 | 103.7° | 106.9° |
| N3 | C16 | H22 | 111.7° | 109.8° |
| N3 | C16 | H23 | 111.7° | 109.8° |
| C17 | C22 | C21 | 121.0° | 119.9° |
| C17 | C22 | C23 | 107.2° | 108.9° |
| C29 | C30 | C31 | 119.8° | 121.8° |
| C29 | C30 | C14 | 119.7° | 118.2° |
| C15 | N3 | C23 | 112.2° | 126.6° |
| N3 | C15 | N2 | 120.2° | 118.5° |
| N3 | C23 | C22 | 101.6° | 107.7° |
| N3 | C23 | H26 | 111.4° | 109.8° |
| N3 | C23 | H27 | 111.4° | 109.8° |
| C20 | C21 | C22 | 119.4° | 120.1° |
| C21 | C20 | H8 | 120.0° | 120.0° |
| C20 | C21 | H9 | 120.3° | 119.9° |
| C15 | N2 | C14 | 121.4° | 121.5° |
| C21 | C22 | C23 | 131.8° | 131.2° |
| C22 | C21 | H9 | 120.4° | 120.0° |
| C22 | C23 | H26 | 111.4° | 109.8° |
| C22 | C23 | H27 | 111.4° | 109.7° |
| C31 | C30 | C14 | 120.6° | 120.0° |
| C30 | C31 | C2 | 119.2° | 119.5° |
| C30 | C31 | H32 | 120.4° | 120.2° |
| C30 | C14 | N2 | 118.0° | 119.1° |
| C30 | C14 | C4 | 118.8° | 119.4° |
| C31 | C2 | C1 | 118.4° | 119.7° |
| C31 | C2 | C3 | 121.0° | 120.6° |
| C2 | C31 | H32 | 120.4° | 120.3° |
| N2 | C14 | C4 | 123.2° | 121.5° |
| C14 | C4 | C3 | 119.9° | 119.7° |
| C14 | C4 | C5 | 121.5° | 120.2° |
| C1 | C2 | C3 | 120.6° | 119.7° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| C2 | C3 | C4 | 120.5° | 120.8° |
| C2 | C3 | H18 | 119.7° | 119.7° |
| C3 | C4 | C5 | 118.6° | 120.2° |
| C4 | C3 | H18 | 119.7° | 119.5° |
| C4 | C5 | C6 | 105.4° | 109.5° |
| C4 | C5 | N1 | 110.5° | 109.5° |
| C4 | C5 | H2 | 111.3° | 109.5° |
| C6 | C5 | N1 | 106.4° | 109.5° |
| C6 | C5 | H2 | 110.9° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.4° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | N1 | C7 | 118.5° | 120.0° |
| C5 | N1 | H1 | 107.2° | 120.0° |
| N1 | C5 | H2 | 112.0° | 109.4° |
| N1 | C7 | C8 | 119.4° | 120.2° |
| N1 | C7 | C12 | 120.1° | 120.2° |
| C7 | N1 | H1 | 107.2° | 120.0° |
| C7 | C8 | C9 | 119.1° | 120.1° |
| C8 | C7 | C12 | 120.5° | 119.6° |
| C7 | C8 | H6 | 120.4° | 119.9° |
| C8 | C9 | C10 | 121.0° | 120.5° |
| C9 | C8 | H6 | 120.5° | 120.0° |
| C8 | C9 | H19 | 119.5° | 119.7° |
| C7 | C12 | C13 | 120.3° | 120.2° |
| C7 | C12 | C11 | 120.0° | 119.6° |
| C9 | C10 | C11 | 120.2° | 120.4° |
| C9 | C10 | H7 | 119.9° | 119.8° |
| C10 | C9 | H19 | 119.5° | 119.8° |
| O2 | C13 | C12 | 117.9° | 120.0° |
| O2 | C13 | O1 | 122.4° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.2° |
| C12 | C13 | O1 | 119.7° | 120.0° |
| C12 | C11 | C10 | 119.1° | 119.9° |
| C12 | C11 | H20 | 120.4° | 120.1° |
| C11 | C10 | H7 | 119.9° | 119.8° |
| C10 | C11 | H20 | 120.5° | 120.0° |
| C13 | O1 | H21 | 109.5° | 117.1° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.4° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.4° | 109.6° |
| H22 | C16 | H23 | 109.5° | 109.8° |
| H26 | C23 | H27 | 109.5° | 109.9° |
| H28 | C25 | H29 | 109.5° | 109.6° |
| H30 | C27 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C26 | C25 | H11 | 119.8° | 119.9° |
| O3 | C26 | C25 | H12 | 119.8° | 120.0° |
| C26 | O3 | C27 | C28 | 70.9° | 61.2° |
| O3 | C26 | C25 | C24 | 57.6° | 57.5° |
| O3 | C26 | H11 | H12 | 120.5° | 120.1° |
| O3 | C26 | C25 | H28 | 62.4° | 177.4° |
| O3 | C26 | C25 | H29 | 177.7° | 62.4° |
| C26 | O3 | C27 | H30 | 48.7° | 178.8° |
| C26 | O3 | C27 | H31 | 169.6° | 58.8° |
| C27 | O3 | C26 | C25 | 71.4° | 61.2° |
| O3 | C27 | C28 | H30 | 119.5° | 119.9° |
| O3 | C27 | C28 | H31 | 119.6° | 120.0° |
| O3 | C27 | C28 | C24 | 58.2° | 57.6° |
| C27 | O3 | C26 | H11 | 168.7° | 58.8° |
| C27 | O3 | C26 | H12 | 48.4° | 178.8° |
| O3 | C27 | C28 | H13 | 178.4° | 62.3° |
| O3 | C27 | C28 | H14 | 62.0° | 177.6° |
| O3 | C27 | H30 | H31 | 121.3° | 120.0° |
| C26 | C25 | C24 | H28 | 120.0° | 119.9° |
| C26 | C25 | C24 | H29 | 120.0° | 119.9° |
| C26 | C25 | C24 | C28 | 47.4° | 56.9° |
| C26 | C25 | C24 | N4 | 159.6° | 176.9° |
| C26 | C25 | C24 | H10 | 75.5° | 63.0° |
| C25 | C26 | H11 | H12 | 120.5° | 120.1° |
| C26 | C25 | H28 | H29 | 119.9° | 120.1° |
| C27 | C28 | C24 | C25 | 48.6° | 57.0° |
| C27 | C28 | C24 | H13 | 120.2° | 120.0° |
| C27 | C28 | C24 | H14 | 120.2° | 120.0° |
| C27 | C28 | C24 | N4 | 167.7° | 176.9° |
| C27 | C28 | C24 | H10 | 74.5° | 63.0° |
| C27 | C28 | H13 | H14 | 119.4° | 120.2° |
| C28 | C27 | H30 | H31 | 121.3° | 120.1° |
| C25 | C24 | C28 | N4 | 119.1° | 119.9° |
| C25 | C24 | C28 | H10 | 123.1° | 119.9° |
| C25 | C24 | N4 | H10 | 124.3° | 120.1° |
| C25 | C24 | N4 | C29 | 46.2° | 61.8° |
| C25 | C24 | N4 | C15 | 137.7° | 118.2° |
| C24 | C25 | C26 | H11 | 177.4° | 62.3° |
| C24 | C25 | C26 | H12 | 62.2° | 177.6° |
| C25 | C24 | C28 | H13 | 168.8° | 63.0° |
| C25 | C24 | C28 | H14 | 71.6° | 176.9° |
| C24 | C25 | H28 | H29 | 120.0° | 120.2° |
| C28 | C24 | N4 | H10 | 116.8° | 120.2° |
| C28 | C24 | N4 | C29 | 72.7° | 57.9° |
| C28 | C24 | N4 | C15 | 103.4° | 122.1° |
| C24 | C28 | H13 | H14 | 119.4° | 120.1° |
| C28 | C24 | C25 | H28 | 72.6° | 176.8° |
| C28 | C24 | C25 | H29 | 167.5° | 63.0° |
| C24 | C28 | C27 | H30 | 61.3° | 177.5° |
| C24 | C28 | C27 | H31 | 177.8° | 62.4° |
| C24 | N4 | C29 | O4 | 2.1° | 0.0° |
| C24 | N4 | C29 | C15 | 176.1° | 180.0° |
| C24 | N4 | C29 | C30 | 177.7° | 180.0° |
| C24 | N4 | C15 | N3 | 4.4° | 0.0° |
| C24 | N4 | C15 | N2 | 178.5° | 180.0° |
| N4 | C24 | C28 | H13 | 72.1° | 56.9° |
| N4 | C24 | C28 | H14 | 47.5° | 63.1° |
| N4 | C24 | C25 | H28 | 39.6° | 63.2° |
| N4 | C24 | C25 | H29 | 80.4° | 57.0° |
| C19 | C18 | C17 | H24 | 180.0° | 180.0° |
| C18 | C19 | C20 | H25 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H8 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C16 | C22 | 179.9° | 180.0° |
| C18 | C17 | C16 | N3 | 154.6° | 179.8° |
| C18 | C17 | C22 | C21 | 0.2° | 0.1° |
| C18 | C17 | C22 | C23 | 179.6° | 180.0° |
| C18 | C17 | C16 | H22 | 86.9° | 60.3° |
| C18 | C17 | C16 | H23 | 36.1° | 60.6° |
| C17 | C18 | C19 | H25 | 179.7° | 180.0° |
| O4 | C29 | N4 | C30 | 179.8° | 180.0° |
| O4 | C29 | N4 | C15 | 178.2° | 180.0° |
| O4 | C29 | C30 | C31 | 0.9° | 0.0° |
| O4 | C29 | C30 | C14 | 179.3° | 180.0° |
| C19 | C20 | C21 | H8 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C19 | C20 | C21 | H9 | 179.7° | 180.0° |
| C20 | C19 | C18 | H24 | 179.7° | 180.0° |
| C29 | N4 | C15 | N3 | 179.5° | 180.0° |
| C29 | N4 | C15 | N2 | 2.4° | 0.0° |
| N4 | C29 | C30 | C31 | 179.2° | 180.0° |
| N4 | C29 | C30 | C14 | 0.6° | 0.0° |
| C29 | N4 | C24 | H10 | 170.5° | 178.1° |
| N4 | C15 | N3 | C16 | 83.0° | 95.0° |
| C15 | N4 | C29 | C30 | 1.6° | 0.0° |
| N4 | C15 | N3 | N2 | 177.2° | 180.0° |
| N4 | C15 | N3 | C23 | 157.3° | 85.4° |
| N4 | C15 | N2 | C14 | 1.8° | 0.0° |
| C15 | N4 | C24 | H10 | 13.4° | 2.0° |
| C17 | C16 | N3 | H22 | 118.5° | 119.5° |
| C17 | C16 | N3 | H23 | 118.5° | 119.6° |
| C17 | C16 | N3 | C15 | 164.8° | 180.0° |
| C17 | C16 | N3 | C23 | 40.7° | 0.3° |
| C16 | C17 | C22 | C21 | 179.7° | 179.9° |
| C16 | C17 | C22 | C23 | 0.2° | 0.0° |
| C17 | C16 | H22 | H23 | 124.3° | 120.9° |
| C16 | C17 | C18 | H24 | 0.1° | 0.0° |
| N3 | C16 | C17 | C22 | 25.3° | 0.2° |
| C16 | N3 | C15 | C23 | 119.7° | 179.6° |
| C16 | N3 | C15 | N2 | 99.8° | 85.0° |
| C16 | N3 | C23 | C22 | 41.1° | 0.3° |
| N3 | C16 | H22 | H23 | 124.3° | 120.9° |
| C16 | N3 | C23 | H26 | 77.6° | 119.2° |
| C16 | N3 | C23 | H27 | 159.9° | 119.8° |
| C17 | C22 | C23 | N3 | 25.0° | 0.2° |
| C17 | C22 | C21 | C20 | 0.4° | 0.1° |
| C17 | C22 | C21 | C23 | 179.3° | 179.9° |
| C17 | C22 | C21 | H9 | 179.6° | 179.9° |
| C22 | C17 | C16 | H22 | 93.2° | 119.7° |
| C22 | C17 | C16 | H23 | 143.8° | 119.4° |
| C22 | C17 | C18 | H24 | 179.8° | 180.0° |
| C17 | C22 | C23 | H26 | 93.7° | 119.3° |
| C17 | C22 | C23 | H27 | 143.8° | 119.7° |
| C29 | C30 | C31 | C14 | 179.8° | 180.0° |
| C29 | C30 | C31 | C2 | 179.8° | 179.7° |
| C29 | C30 | C14 | N2 | 0.0° | 0.1° |
| C29 | C30 | C14 | C4 | 179.8° | 180.0° |
| C29 | C30 | C31 | H32 | 0.2° | 0.0° |
| C15 | N3 | C23 | C22 | 168.3° | 180.0° |
| N3 | C15 | N2 | C14 | 178.8° | 180.0° |
| C15 | N3 | C16 | H22 | 46.3° | 60.5° |
| C15 | N3 | C16 | H23 | 76.7° | 60.4° |
| C15 | N3 | C23 | H26 | 49.6° | 60.5° |
| C15 | N3 | C23 | H27 | 73.0° | 60.5° |
| C23 | N3 | C15 | N2 | 19.9° | 94.7° |
| N3 | C23 | C22 | C21 | 154.3° | 179.9° |
| N3 | C23 | C22 | H26 | 118.7° | 119.6° |
| N3 | C23 | C22 | H27 | 118.7° | 119.5° |
| C23 | N3 | C16 | H22 | 77.8° | 119.8° |
| C23 | N3 | C16 | H23 | 159.2° | 119.3° |
| N3 | C23 | H26 | H27 | 123.7° | 120.9° |
| C20 | C21 | C22 | H9 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.7° | 180.0° |
| C21 | C20 | C19 | H25 | 179.9° | 179.9° |
| C15 | N2 | C14 | C30 | 0.6° | 0.0° |
| C15 | N2 | C14 | C4 | 179.6° | 180.0° |
| C22 | C21 | C20 | H8 | 179.7° | 180.0° |
| C21 | C22 | C23 | H26 | 87.0° | 60.6° |
| C21 | C22 | C23 | H27 | 35.6° | 60.4° |
| C23 | C22 | C21 | H9 | 0.3° | 0.0° |
| C22 | C23 | H26 | H27 | 123.7° | 120.8° |
| C30 | C31 | C2 | H32 | 180.0° | 179.7° |
| C31 | C30 | C14 | N2 | 179.7° | 180.0° |
| C31 | C30 | C14 | C4 | 0.0° | 0.0° |
| C30 | C31 | C2 | C1 | 180.0° | 180.0° |
| C30 | C31 | C2 | C3 | 0.6° | 0.5° |
| C14 | C30 | C31 | C2 | 0.0° | 0.3° |
| C30 | C14 | N2 | C4 | 179.7° | 179.9° |
| C30 | C14 | C4 | C3 | 0.5° | 0.0° |
| C30 | C14 | C4 | C5 | 179.0° | 179.7° |
| C14 | C30 | C31 | H32 | 180.0° | 180.0° |
| C31 | C2 | C1 | C3 | 179.4° | 179.5° |
| C31 | C2 | C3 | C4 | 1.1° | 0.5° |
| C31 | C2 | C1 | H15 | 90.3° | 89.5° |
| C31 | C2 | C1 | H16 | 149.7° | 30.5° |
| C31 | C2 | C1 | H17 | 29.7° | 150.6° |
| C31 | C2 | C3 | H18 | 178.9° | 179.5° |
| N2 | C14 | C4 | C3 | 179.7° | 179.9° |
| N2 | C14 | C4 | C5 | 1.2° | 0.3° |
| C14 | C4 | C3 | C2 | 1.1° | 0.3° |
| C14 | C4 | C3 | C5 | 178.6° | 179.7° |
| C14 | C4 | C5 | C6 | 77.3° | 84.7° |
| C14 | C4 | C5 | N1 | 168.2° | 155.2° |
| C14 | C4 | C5 | H2 | 43.0° | 35.3° |
| C14 | C4 | C3 | H18 | 178.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H17 | 120.0° | 119.9° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | C3 | H18 | 0.5° | 0.0° |
| C1 | C2 | C31 | H32 | 0.0° | 0.3° |
| C2 | C3 | C4 | H18 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C2 | C1 | H15 | 90.3° | 90.0° |
| C3 | C2 | C1 | H16 | 29.7° | 150.0° |
| C3 | C2 | C1 | H17 | 149.7° | 29.9° |
| C3 | C2 | C31 | H32 | 179.4° | 179.8° |
| C3 | C4 | C5 | C6 | 101.2° | 95.0° |
| C3 | C4 | C5 | N1 | 13.3° | 25.0° |
| C3 | C4 | C5 | H2 | 138.5° | 145.0° |
| C4 | C5 | C6 | N1 | 117.4° | 120.1° |
| C4 | C5 | C6 | H2 | 120.6° | 120.0° |
| C4 | C5 | N1 | H2 | 124.8° | 120.0° |
| C4 | C5 | N1 | C7 | 105.7° | 155.0° |
| C4 | C5 | N1 | H1 | 133.0° | 25.4° |
| C4 | C5 | C6 | H3 | 180.0° | 60.0° |
| C4 | C5 | C6 | H4 | 60.0° | 180.0° |
| C4 | C5 | C6 | H5 | 60.0° | 59.9° |
| C5 | C4 | C3 | H18 | 0.4° | 0.0° |
| C6 | C5 | N1 | H2 | 121.3° | 120.0° |
| C6 | C5 | N1 | C7 | 140.3° | 84.9° |
| C6 | C5 | N1 | H1 | 19.0° | 94.7° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.1° |
| C5 | N1 | C7 | H1 | 121.3° | 179.6° |
| C5 | N1 | C7 | C8 | 56.8° | 5.6° |
| C5 | N1 | C7 | C12 | 123.0° | 174.1° |
| N1 | C5 | C6 | H3 | 62.6° | 60.1° |
| N1 | C5 | C6 | H4 | 177.4° | 59.9° |
| N1 | C5 | C6 | H5 | 57.4° | 180.0° |
| N1 | C7 | C8 | C12 | 179.7° | 179.8° |
| N1 | C7 | C8 | C9 | 179.9° | 179.9° |
| N1 | C7 | C12 | C13 | 0.0° | 0.0° |
| N1 | C7 | C12 | C11 | 179.7° | 180.0° |
| C7 | N1 | C5 | H2 | 19.0° | 35.0° |
| N1 | C7 | C8 | H6 | 0.1° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C12 | C13 | 179.7° | 179.8° |
| C8 | C7 | C12 | C11 | 0.0° | 0.2° |
| C8 | C7 | N1 | H1 | 178.1° | 174.7° |
| C7 | C8 | C9 | H19 | 179.8° | 179.9° |
| C9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C8 | C9 | C10 | H19 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.2° |
| C8 | C9 | C10 | H7 | 179.9° | 180.0° |
| C7 | C12 | C13 | O2 | 1.9° | 6.3° |
| C7 | C12 | C13 | C11 | 179.7° | 180.0° |
| C7 | C12 | C11 | C10 | 0.2° | 0.1° |
| C7 | C12 | C13 | O1 | 177.6° | 173.6° |
| C12 | C7 | N1 | H1 | 1.7° | 5.5° |
| C12 | C7 | C8 | H6 | 179.8° | 179.8° |
| C7 | C12 | C11 | H20 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.3° |
| C9 | C10 | C11 | H7 | 180.0° | 179.8° |
| C10 | C9 | C8 | H6 | 179.8° | 180.0° |
| C9 | C10 | C11 | H20 | 179.8° | 179.8° |
| O2 | C13 | C12 | O1 | 179.5° | 180.0° |
| O2 | C13 | C12 | C11 | 178.4° | 173.7° |
| O2 | C13 | O1 | H21 | 0.0° | 0.0° |
| C13 | C12 | C11 | C10 | 179.9° | 179.9° |
| C13 | C12 | C11 | H20 | 0.1° | 0.0° |
| C12 | C13 | O1 | H21 | 179.5° | 180.0° |
| C12 | C11 | C10 | H20 | 180.0° | 179.9° |
| C11 | C12 | C13 | O1 | 2.1° | 6.3° |
| C12 | C11 | C10 | H7 | 179.7° | 179.9° |
| C11 | C10 | C9 | H19 | 180.0° | 179.7° |
| H1 | N1 | C5 | H2 | 102.2° | 145.3° |
| H2 | C5 | C6 | H3 | 59.4° | 180.0° |
| H2 | C5 | C6 | H4 | 60.6° | 60.0° |
| H2 | C5 | C6 | H5 | 179.4° | 60.1° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C8 | C9 | H19 | 0.2° | 0.0° |
| H7 | C10 | C9 | H19 | 0.1° | 0.0° |
| H7 | C10 | C11 | H20 | 0.3° | 0.0° |
| H8 | C20 | C21 | H9 | 0.3° | 0.0° |
| H8 | C20 | C19 | H25 | 0.1° | 0.0° |
| H10 | C24 | C28 | H13 | 45.7° | 177.1° |
| H10 | C24 | C28 | H14 | 165.4° | 57.0° |
| H10 | C24 | C25 | H28 | 164.5° | 56.9° |
| H10 | C24 | C25 | H29 | 44.5° | 177.1° |
| H11 | C26 | C25 | H28 | 57.4° | 57.6° |
| H11 | C26 | C25 | H29 | 62.5° | 177.7° |
| H12 | C26 | C25 | H28 | 177.8° | 62.5° |
| H12 | C26 | C25 | H29 | 57.8° | 57.7° |
| H13 | C28 | C27 | H30 | 58.9° | 57.6° |
| H13 | C28 | C27 | H31 | 62.0° | 177.7° |
| H14 | C28 | C27 | H30 | 178.5° | 62.5° |
| H14 | C28 | C27 | H31 | 57.6° | 57.5° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H24 | C18 | C19 | H25 | 0.3° | 0.1° |
