Q52
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.36Å | 1.35Å | |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | N4 | sing | 1.32Å | 1.31Å | Aromatic |
| N4 | C23 | doub | 1.34Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C23 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | N1 | sing | 1.34Å | 1.38Å | Aromatic |
| C18 | CL1 | sing | 1.74Å | 1.74Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| C13 | C21 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.31Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| N3 | H17 | sing | 1.01Å | 1.00Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 117.1° | 117.0° |
| O1 | C1 | H19 | 109.5° | 109.5° |
| O1 | C1 | H20 | 109.5° | 109.5° |
| O1 | C1 | H21 | 109.4° | 109.5° |
| O1 | C2 | C3 | 115.9° | 119.2° |
| O1 | C2 | N4 | 119.2° | 119.3° |
| C2 | C3 | C4 | 118.3° | 119.9° |
| C3 | C2 | N4 | 124.9° | 121.5° |
| C2 | C3 | H16 | 120.8° | 120.0° |
| C3 | C4 | C5 | 119.2° | 118.3° |
| C3 | C4 | H1 | 120.4° | 120.8° |
| C4 | C3 | H16 | 120.8° | 120.0° |
| C2 | N4 | C23 | 118.1° | 121.2° |
| N4 | C23 | C5 | 120.7° | 120.2° |
| N4 | C23 | C8 | 119.9° | 121.1° |
| C4 | C5 | C23 | 118.9° | 118.8° |
| C4 | C5 | N1 | 120.0° | 121.1° |
| C5 | C4 | H1 | 120.4° | 120.8° |
| C19 | C20 | C15 | 121.2° | 120.0° |
| C20 | C19 | C18 | 118.7° | 120.0° |
| C20 | C19 | H24 | 120.7° | 120.0° |
| C19 | C20 | H25 | 119.4° | 120.0° |
| C20 | C15 | C14 | 121.0° | 120.0° |
| C20 | C15 | C16 | 118.5° | 120.0° |
| C15 | C20 | H25 | 119.4° | 120.0° |
| C19 | C18 | CL1 | 119.7° | 120.0° |
| C19 | C18 | C17 | 121.3° | 120.0° |
| C18 | C19 | H24 | 120.7° | 120.0° |
| C15 | C14 | N3 | 114.2° | 109.5° |
| C14 | C15 | C16 | 120.4° | 120.0° |
| C15 | C14 | H2 | 108.3° | 109.5° |
| C15 | C14 | H3 | 108.3° | 109.5° |
| C14 | N3 | C13 | 114.9° | 111.0° |
| N3 | C14 | H2 | 108.3° | 109.5° |
| N3 | C14 | H3 | 108.3° | 109.4° |
| C14 | N3 | H17 | 108.1° | 111.0° |
| C11 | C12 | C13 | 111.7° | 109.3° |
| C12 | C11 | N2 | 111.2° | 109.5° |
| C12 | C11 | H5 | 109.0° | 109.4° |
| C12 | C11 | H6 | 109.0° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H13 | 108.9° | 109.5° |
| C12 | C13 | N3 | 111.5° | 109.5° |
| C12 | C13 | C21 | 112.3° | 109.2° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H13 | 108.9° | 109.5° |
| C12 | C13 | H14 | 107.9° | 109.6° |
| C15 | C16 | C17 | 120.9° | 120.0° |
| C15 | C16 | H22 | 119.5° | 120.0° |
| C5 | C23 | C8 | 119.4° | 118.7° |
| C23 | C5 | N1 | 121.1° | 120.1° |
| C23 | C8 | C9 | 122.1° | 120.9° |
| C23 | C8 | C7 | 117.9° | 118.3° |
| C5 | N1 | C6 | 117.4° | 121.3° |
| CL1 | C18 | C17 | 119.0° | 120.0° |
| C18 | C17 | C16 | 119.4° | 119.9° |
| C18 | C17 | H23 | 120.3° | 120.0° |
| N3 | C13 | C21 | 108.4° | 109.5° |
| N3 | C13 | H14 | 108.7° | 109.6° |
| C13 | N3 | H17 | 108.1° | 111.0° |
| C11 | N2 | C10 | 115.3° | 111.0° |
| C11 | N2 | C22 | 110.5° | 111.2° |
| N2 | C11 | H5 | 109.0° | 109.5° |
| N2 | C11 | H6 | 109.0° | 109.5° |
| C10 | N2 | C22 | 111.9° | 111.0° |
| N2 | C10 | C9 | 116.2° | 109.5° |
| N2 | C10 | H10 | 107.8° | 109.5° |
| N2 | C10 | H11 | 107.8° | 109.5° |
| N2 | C22 | C21 | 110.2° | 109.5° |
| N2 | C22 | H28 | 109.3° | 109.4° |
| N2 | C22 | H29 | 109.3° | 109.5° |
| C13 | C21 | C22 | 111.3° | 109.3° |
| C21 | C13 | H14 | 107.9° | 109.5° |
| C13 | C21 | H26 | 109.0° | 109.5° |
| C13 | C21 | H27 | 109.0° | 109.5° |
| C17 | C16 | H22 | 119.6° | 120.0° |
| C16 | C17 | H23 | 120.3° | 120.0° |
| C10 | C9 | C8 | 113.2° | 109.5° |
| C10 | C9 | H8 | 108.5° | 109.5° |
| C10 | C9 | H9 | 108.6° | 109.5° |
| C9 | C10 | H10 | 107.8° | 109.4° |
| C9 | C10 | H11 | 107.8° | 109.4° |
| C9 | C8 | C7 | 120.0° | 120.8° |
| C8 | C9 | H8 | 108.6° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C7 | C6 | 119.2° | 120.0° |
| C8 | C7 | H7 | 120.4° | 120.1° |
| N1 | C6 | C7 | 125.1° | 121.6° |
| N1 | C6 | H4 | 117.5° | 119.2° |
| C22 | C21 | H26 | 109.0° | 109.5° |
| C22 | C21 | H27 | 109.0° | 109.5° |
| C21 | C22 | H28 | 109.3° | 109.4° |
| C21 | C22 | H29 | 109.3° | 109.5° |
| C7 | C6 | H4 | 117.5° | 119.2° |
| C6 | C7 | H7 | 120.4° | 120.0° |
| H2 | C14 | H3 | 109.4° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.6° |
| H19 | C1 | H20 | 109.4° | 109.4° |
| H19 | C1 | H21 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.6° |
| H28 | C22 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 172.2° | 180.0° |
| C1 | O1 | C2 | N4 | 7.8° | 0.0° |
| O1 | C1 | H19 | H20 | 120.0° | 120.0° |
| O1 | C1 | H19 | H21 | 120.0° | 120.1° |
| O1 | C1 | H20 | H21 | 120.0° | 120.1° |
| O1 | C2 | C3 | N4 | 180.0° | 180.0° |
| O1 | C2 | C3 | C4 | 179.9° | 180.0° |
| O1 | C2 | N4 | C23 | 179.8° | 179.7° |
| O1 | C2 | C3 | H16 | 0.1° | 0.1° |
| C2 | O1 | C1 | H19 | 180.0° | 59.9° |
| C2 | O1 | C1 | H20 | 60.0° | 60.0° |
| C2 | O1 | C1 | H21 | 60.0° | 180.0° |
| C2 | C3 | C4 | H16 | 180.0° | 179.9° |
| C3 | C2 | N4 | C23 | 0.2° | 0.3° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H1 | 179.6° | 179.7° |
| C4 | C3 | C2 | N4 | 0.1° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C23 | 0.3° | 0.2° |
| C3 | C4 | C5 | N1 | 179.6° | 179.8° |
| C2 | N4 | C23 | C5 | 0.3° | 0.6° |
| C2 | N4 | C23 | C8 | 179.6° | 180.0° |
| N4 | C2 | C3 | H16 | 179.9° | 180.0° |
| N4 | C23 | C5 | C4 | 0.0° | 0.5° |
| N4 | C23 | C5 | C8 | 179.9° | 179.4° |
| N4 | C23 | C5 | N1 | 179.9° | 179.5° |
| N4 | C23 | C8 | C9 | 0.9° | 0.6° |
| N4 | C23 | C8 | C7 | 179.9° | 179.4° |
| C4 | C5 | C23 | N1 | 179.9° | 180.0° |
| C4 | C5 | C23 | C8 | 179.8° | 180.0° |
| C4 | C5 | N1 | C6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H16 | 179.7° | 180.0° |
| C19 | C20 | C15 | H25 | 180.0° | 179.5° |
| C20 | C19 | C18 | H24 | 180.0° | 179.7° |
| C19 | C20 | C15 | C14 | 178.2° | 179.8° |
| C19 | C20 | C15 | C16 | 0.1° | 0.6° |
| C20 | C19 | C18 | CL1 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.7° | 0.2° |
| C15 | C20 | C19 | C18 | 0.2° | 0.5° |
| C20 | C15 | C14 | C16 | 178.2° | 179.7° |
| C20 | C15 | C14 | N3 | 84.3° | 90.3° |
| C20 | C15 | C16 | C17 | 0.3° | 0.3° |
| C20 | C15 | C14 | H2 | 155.0° | 149.7° |
| C20 | C15 | C14 | H3 | 36.4° | 29.7° |
| C20 | C15 | C16 | H22 | 179.6° | 179.7° |
| C15 | C20 | C19 | H24 | 179.8° | 179.7° |
| C19 | C18 | CL1 | C17 | 179.4° | 180.0° |
| C19 | C18 | C17 | C16 | 0.9° | 0.0° |
| C19 | C18 | C17 | H23 | 179.1° | 180.0° |
| C18 | C19 | C20 | H25 | 179.8° | 180.0° |
| C15 | C14 | N3 | H2 | 120.7° | 120.0° |
| C15 | C14 | N3 | H3 | 120.7° | 120.0° |
| C15 | C14 | N3 | C13 | 145.4° | 180.0° |
| C14 | C15 | C16 | C17 | 177.9° | 180.0° |
| C15 | C14 | H2 | H3 | 117.8° | 120.0° |
| C15 | C14 | N3 | H17 | 93.8° | 56.1° |
| C14 | C15 | C16 | H22 | 2.1° | 0.1° |
| C14 | C15 | C20 | H25 | 1.8° | 0.3° |
| C14 | N3 | C13 | C12 | 60.4° | 155.0° |
| N3 | C14 | C15 | C16 | 97.5° | 90.0° |
| C14 | N3 | C13 | H17 | 120.8° | 123.9° |
| C14 | N3 | C13 | C21 | 175.4° | 85.3° |
| N3 | C14 | H2 | H3 | 117.9° | 120.0° |
| C14 | N3 | C13 | H14 | 58.4° | 34.8° |
| C11 | C12 | C13 | H12 | 120.3° | 119.9° |
| C11 | C12 | C13 | H13 | 120.3° | 119.9° |
| C11 | C12 | C13 | N3 | 168.7° | 177.6° |
| C12 | C11 | N2 | H5 | 120.3° | 120.0° |
| C12 | C11 | N2 | H6 | 120.3° | 120.0° |
| C12 | C11 | N2 | C10 | 170.8° | 174.2° |
| C12 | C11 | N2 | C22 | 61.0° | 61.8° |
| C11 | C12 | C13 | C21 | 46.8° | 57.7° |
| C12 | C11 | H5 | H6 | 119.2° | 120.0° |
| C11 | C12 | H12 | H13 | 119.0° | 120.1° |
| C11 | C12 | C13 | H14 | 72.0° | 62.2° |
| C12 | C13 | N3 | C21 | 124.2° | 119.7° |
| C12 | C13 | N3 | H14 | 118.8° | 120.2° |
| C13 | C12 | C11 | N2 | 52.4° | 59.2° |
| C12 | C13 | C21 | H14 | 118.8° | 120.0° |
| C12 | C13 | C21 | C22 | 49.1° | 57.7° |
| C13 | C12 | C11 | H5 | 67.8° | 60.9° |
| C13 | C12 | C11 | H6 | 172.7° | 179.2° |
| C13 | C12 | H12 | H13 | 119.0° | 120.1° |
| C12 | C13 | N3 | H17 | 60.4° | 31.1° |
| C12 | C13 | C21 | H26 | 71.2° | 62.2° |
| C12 | C13 | C21 | H27 | 169.4° | 177.6° |
| C15 | C16 | C17 | C18 | 0.8° | 0.0° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C16 | C15 | C14 | H2 | 23.3° | 29.9° |
| C16 | C15 | C14 | H3 | 141.8° | 150.0° |
| C15 | C16 | C17 | H23 | 179.3° | 179.9° |
| C16 | C15 | C20 | H25 | 179.9° | 179.9° |
| C5 | C23 | C8 | C9 | 179.0° | 180.0° |
| C5 | C23 | C8 | C7 | 0.2° | 0.0° |
| C23 | C5 | N1 | C6 | 0.2° | 0.0° |
| C23 | C5 | C4 | H1 | 179.7° | 180.0° |
| C8 | C23 | C5 | N1 | 0.0° | 0.0° |
| C23 | C8 | C9 | C10 | 94.8° | 85.0° |
| C23 | C8 | C9 | C7 | 179.1° | 180.0° |
| C23 | C8 | C7 | C6 | 0.1° | 0.0° |
| C23 | C8 | C7 | H7 | 179.9° | 180.0° |
| C23 | C8 | C9 | H8 | 144.7° | 155.0° |
| C23 | C8 | C9 | H9 | 25.8° | 35.0° |
| C5 | N1 | C6 | C7 | 0.2° | 0.0° |
| N1 | C5 | C4 | H1 | 0.4° | 0.0° |
| C5 | N1 | C6 | H4 | 179.7° | 179.9° |
| CL1 | C18 | C17 | C16 | 179.7° | 180.0° |
| CL1 | C18 | C17 | H23 | 0.3° | 0.1° |
| CL1 | C18 | C19 | H24 | 0.0° | 0.0° |
| C18 | C17 | C16 | H23 | 180.0° | 179.9° |
| C18 | C17 | C16 | H22 | 179.2° | 179.9° |
| C17 | C18 | C19 | H24 | 179.3° | 180.0° |
| N3 | C13 | C21 | H14 | 117.5° | 120.1° |
| N3 | C13 | C21 | C22 | 172.8° | 177.6° |
| C13 | N3 | C14 | H2 | 24.7° | 60.0° |
| C13 | N3 | C14 | H3 | 93.9° | 60.0° |
| N3 | C13 | C12 | H12 | 48.4° | 57.6° |
| N3 | C13 | C12 | H13 | 70.9° | 62.5° |
| N3 | C13 | C21 | H26 | 52.5° | 57.7° |
| N3 | C13 | C21 | H27 | 66.9° | 62.5° |
| C11 | N2 | C10 | C22 | 127.5° | 124.2° |
| C11 | N2 | C10 | C9 | 5.6° | 170.0° |
| C11 | N2 | C22 | C21 | 63.2° | 61.7° |
| N2 | C11 | H5 | H6 | 119.2° | 120.0° |
| C11 | N2 | C10 | H10 | 115.4° | 50.0° |
| C11 | N2 | C10 | H11 | 126.6° | 70.0° |
| N2 | C11 | C12 | H12 | 67.9° | 60.7° |
| N2 | C11 | C12 | H13 | 172.8° | 179.1° |
| C11 | N2 | C22 | H28 | 56.9° | 58.2° |
| C11 | N2 | C22 | H29 | 176.7° | 178.2° |
| N2 | C10 | C9 | H10 | 121.0° | 120.0° |
| N2 | C10 | C9 | H11 | 121.0° | 120.0° |
| N2 | C10 | C9 | C8 | 165.7° | 180.0° |
| C10 | N2 | C22 | C21 | 166.8° | 174.2° |
| C10 | N2 | C11 | H5 | 69.0° | 65.8° |
| C10 | N2 | C11 | H6 | 50.5° | 54.2° |
| N2 | C10 | C9 | H8 | 73.8° | 60.0° |
| N2 | C10 | C9 | H9 | 45.2° | 60.0° |
| N2 | C10 | H10 | H11 | 116.9° | 120.1° |
| C10 | N2 | C22 | H28 | 73.1° | 65.8° |
| C10 | N2 | C22 | H29 | 46.7° | 54.1° |
| N2 | C22 | C21 | C13 | 57.0° | 59.1° |
| C22 | N2 | C10 | C9 | 121.9° | 65.8° |
| N2 | C22 | C21 | H28 | 120.1° | 120.0° |
| N2 | C22 | C21 | H29 | 120.1° | 120.1° |
| C22 | N2 | C11 | H5 | 59.2° | 58.3° |
| C22 | N2 | C11 | H6 | 178.7° | 178.3° |
| C22 | N2 | C10 | H10 | 117.1° | 174.3° |
| C22 | N2 | C10 | H11 | 0.9° | 54.2° |
| N2 | C22 | C21 | H26 | 63.3° | 60.8° |
| N2 | C22 | C21 | H27 | 177.3° | 179.1° |
| N2 | C22 | H28 | H29 | 119.7° | 120.0° |
| C13 | C21 | C22 | H26 | 120.3° | 119.9° |
| C13 | C21 | C22 | H27 | 120.3° | 120.0° |
| C21 | C13 | C12 | H12 | 73.5° | 62.2° |
| C21 | C13 | C12 | H13 | 167.1° | 177.6° |
| C21 | C13 | N3 | H17 | 63.8° | 150.8° |
| C13 | C21 | H26 | H27 | 119.1° | 120.1° |
| C13 | C21 | C22 | H28 | 63.1° | 60.9° |
| C13 | C21 | C22 | H29 | 177.1° | 179.2° |
| C10 | C9 | C8 | H8 | 120.6° | 120.1° |
| C10 | C9 | C8 | H9 | 120.5° | 120.0° |
| C10 | C9 | C8 | C7 | 86.1° | 95.0° |
| C10 | C9 | H8 | H9 | 118.3° | 120.0° |
| C9 | C10 | H10 | H11 | 116.9° | 119.9° |
| C9 | C8 | C7 | C6 | 179.0° | 179.9° |
| C9 | C8 | C7 | H7 | 1.0° | 0.0° |
| C8 | C9 | H8 | H9 | 118.3° | 120.0° |
| C8 | C9 | C10 | H10 | 44.7° | 60.0° |
| C8 | C9 | C10 | H11 | 73.3° | 60.0° |
| C8 | C7 | C6 | N1 | 0.1° | 0.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | H4 | 179.9° | 180.0° |
| C7 | C8 | C9 | H8 | 34.4° | 25.1° |
| C7 | C8 | C9 | H9 | 153.3° | 145.0° |
| N1 | C6 | C7 | H4 | 180.0° | 180.0° |
| N1 | C6 | C7 | H7 | 179.9° | 180.0° |
| C22 | C21 | C13 | H14 | 69.7° | 62.3° |
| C22 | C21 | H26 | H27 | 119.2° | 120.1° |
| C21 | C22 | H28 | H29 | 119.7° | 120.0° |
| H1 | C4 | C3 | H16 | 0.4° | 0.2° |
| H2 | C14 | N3 | H17 | 145.5° | 63.9° |
| H3 | C14 | N3 | H17 | 26.9° | 176.0° |
| H4 | C6 | C7 | H7 | 0.1° | 0.1° |
| H5 | C11 | C12 | H12 | 171.9° | 179.2° |
| H5 | C11 | C12 | H13 | 52.5° | 59.1° |
| H6 | C11 | C12 | H12 | 52.4° | 59.2° |
| H6 | C11 | C12 | H13 | 66.9° | 60.9° |
| H8 | C9 | C10 | H10 | 165.3° | 180.0° |
| H8 | C9 | C10 | H11 | 47.2° | 60.0° |
| H9 | C9 | C10 | H10 | 75.8° | 60.1° |
| H9 | C9 | C10 | H11 | 166.1° | 180.0° |
| H12 | C12 | C13 | H14 | 167.7° | 177.8° |
| H13 | C12 | C13 | H14 | 48.4° | 57.7° |
| H14 | C13 | N3 | H17 | 179.2° | 89.1° |
| H14 | C13 | C21 | H26 | 170.0° | 177.8° |
| H14 | C13 | C21 | H27 | 50.6° | 57.6° |
| H19 | C1 | H20 | H21 | 120.0° | 119.9° |
| H22 | C16 | C17 | H23 | 0.7° | 0.0° |
| H24 | C19 | C20 | H25 | 0.2° | 0.2° |
| H26 | C21 | C22 | H28 | 176.6° | 179.2° |
| H26 | C21 | C22 | H29 | 56.8° | 59.3° |
| H27 | C21 | C22 | H28 | 57.2° | 59.1° |
| H27 | C21 | C22 | H29 | 62.6° | 60.8° |
