31N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C33 | sing | 1.43Å | 1.43Å | |
| O | C4 | sing | 1.36Å | 1.40Å | |
| C4 | C | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.36Å | 1.38Å | Aromatic |
| O32 | C29 | doub | 1.21Å | 1.22Å | |
| C29 | N28 | sing | 1.35Å | 1.37Å | |
| C29 | C30 | sing | 1.51Å | 1.49Å | |
| N | C3 | doub | 1.34Å | 1.35Å | Aromatic |
| N28 | C23 | sing | 1.40Å | 1.40Å | |
| C1 | C2 | doub | 1.41Å | 1.38Å | Aromatic |
| C15 | O16 | sing | 1.43Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O16 | C11 | sing | 1.43Å | 1.47Å | |
| C30 | O31 | sing | 1.43Å | 1.42Å | |
| C23 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | N5 | sing | 1.34Å | 1.34Å | Aromatic |
| N22 | C21 | sing | 1.32Å | 1.34Å | Aromatic |
| N19 | C14 | sing | 1.47Å | 1.50Å | |
| N19 | C20 | sing | 1.47Å | 1.50Å | |
| O31 | C24 | sing | 1.36Å | 1.38Å | |
| C14 | C18 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.55Å | 1.52Å | |
| C11 | C17 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.51Å | 1.48Å | |
| C10 | O27 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C21 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C6 | doub | 1.31Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | F | sing | 1.35Å | 1.35Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| O27 | H20 | sing | 0.97Å | 0.95Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| N19 | H27 | sing | 1.01Å | 1.00Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | O | C4 | 111.6° | 117.0° |
| O | C33 | H24 | 109.5° | 109.5° |
| O | C33 | H25 | 109.5° | 109.5° |
| O | C33 | H26 | 109.5° | 109.4° |
| O | C4 | C | 115.6° | 119.3° |
| O | C4 | N | 121.8° | 119.3° |
| C | C4 | N | 122.6° | 121.4° |
| C4 | C | C1 | 117.9° | 120.0° |
| C4 | C | H13 | 121.1° | 120.0° |
| C4 | N | C3 | 118.4° | 121.3° |
| C | C1 | C2 | 121.4° | 118.4° |
| C1 | C | H13 | 121.0° | 120.1° |
| C | C1 | H14 | 119.3° | 120.8° |
| O32 | C29 | N28 | 119.6° | 120.1° |
| O32 | C29 | C30 | 119.7° | 120.1° |
| N28 | C29 | C30 | 120.6° | 119.8° |
| C29 | N28 | C23 | 118.8° | 119.1° |
| C29 | N28 | H21 | 120.6° | 120.4° |
| C29 | C30 | O31 | 112.0° | 109.6° |
| C29 | C30 | H22 | 108.8° | 109.5° |
| C29 | C30 | H23 | 108.8° | 109.4° |
| N | C3 | C2 | 122.8° | 120.1° |
| N | C3 | C8 | 120.7° | 121.1° |
| N28 | C23 | N22 | 118.0° | 120.6° |
| N28 | C23 | C24 | 118.7° | 119.0° |
| C23 | N28 | H21 | 120.6° | 120.4° |
| C1 | C2 | C3 | 116.9° | 118.8° |
| C1 | C2 | N5 | 119.3° | 121.0° |
| C2 | C1 | H14 | 119.3° | 120.8° |
| O16 | C15 | C14 | 108.5° | 109.4° |
| C15 | O16 | C11 | 113.4° | 113.8° |
| O16 | C15 | H8 | 109.7° | 109.5° |
| O16 | C15 | H9 | 109.7° | 109.5° |
| C15 | C14 | N19 | 112.6° | 109.9° |
| C15 | C14 | C18 | 107.8° | 108.8° |
| C15 | C14 | C13 | 108.5° | 108.8° |
| C14 | C15 | H8 | 109.7° | 109.7° |
| C14 | C15 | H9 | 109.7° | 109.2° |
| O16 | C11 | C17 | 108.6° | 109.3° |
| O16 | C11 | C10 | 112.2° | 109.6° |
| O16 | C11 | C12 | 110.1° | 109.6° |
| C30 | O31 | C24 | 116.1° | 116.6° |
| O31 | C30 | H22 | 108.9° | 109.5° |
| O31 | C30 | H23 | 108.9° | 109.4° |
| N22 | C23 | C24 | 123.2° | 120.4° |
| C23 | N22 | C21 | 116.6° | 121.6° |
| C23 | C24 | O31 | 121.2° | 119.8° |
| C23 | C24 | C25 | 119.3° | 119.3° |
| C2 | C3 | C8 | 116.5° | 118.8° |
| C3 | C2 | N5 | 123.8° | 120.1° |
| C3 | C8 | C9 | 118.1° | 120.9° |
| C3 | C8 | C7 | 120.7° | 118.2° |
| C2 | N5 | C6 | 117.8° | 121.3° |
| N22 | C21 | C20 | 117.2° | 119.4° |
| N22 | C21 | C26 | 123.8° | 121.1° |
| C14 | N19 | C20 | 115.4° | 111.1° |
| N19 | C14 | C18 | 109.2° | 110.0° |
| N19 | C14 | C13 | 107.4° | 109.8° |
| C14 | N19 | H27 | 108.0° | 111.0° |
| N19 | C20 | C21 | 116.0° | 109.5° |
| N19 | C20 | H12 | 107.8° | 109.4° |
| C20 | N19 | H27 | 108.0° | 111.0° |
| N19 | C20 | H28 | 107.8° | 109.5° |
| O31 | C24 | C25 | 119.5° | 120.9° |
| C18 | C14 | C13 | 111.3° | 109.5° |
| C14 | C18 | C17 | 109.8° | 108.1° |
| C14 | C18 | H10 | 109.4° | 110.6° |
| C14 | C18 | H11 | 109.4° | 109.5° |
| C14 | C13 | C12 | 108.4° | 108.8° |
| C14 | C13 | H6 | 109.7° | 109.6° |
| C14 | C13 | H7 | 109.7° | 109.7° |
| C24 | C25 | C26 | 118.5° | 118.2° |
| C24 | C25 | H18 | 120.8° | 120.9° |
| C18 | C17 | C11 | 108.6° | 109.2° |
| C17 | C18 | H10 | 109.4° | 109.6° |
| C17 | C18 | H11 | 109.4° | 109.6° |
| C18 | C17 | H16 | 109.6° | 109.5° |
| C18 | C17 | H17 | 109.7° | 109.4° |
| C17 | C11 | C10 | 107.8° | 109.5° |
| C17 | C11 | C12 | 108.0° | 109.3° |
| C11 | C17 | H16 | 109.7° | 109.6° |
| C11 | C17 | H17 | 109.7° | 109.5° |
| C10 | C11 | C12 | 110.0° | 109.6° |
| C11 | C10 | C9 | 110.1° | 109.5° |
| C11 | C10 | O27 | 110.7° | 109.5° |
| C11 | C10 | H3 | 110.0° | 109.5° |
| C11 | C12 | C13 | 110.2° | 109.1° |
| C11 | C12 | H4 | 109.3° | 109.6° |
| C11 | C12 | H5 | 109.3° | 109.6° |
| C10 | C9 | C8 | 119.0° | 109.5° |
| C9 | C10 | O27 | 103.7° | 109.4° |
| C10 | C9 | H1 | 107.0° | 109.5° |
| C10 | C9 | H2 | 107.0° | 109.4° |
| C9 | C10 | H3 | 110.6° | 109.5° |
| C9 | C8 | C7 | 121.1° | 120.9° |
| C8 | C9 | H1 | 107.1° | 109.5° |
| C8 | C9 | H2 | 107.0° | 109.5° |
| O27 | C10 | H3 | 111.7° | 109.4° |
| C10 | O27 | H20 | 109.5° | 114.0° |
| C8 | C7 | C6 | 118.1° | 120.0° |
| C8 | C7 | F | 122.3° | 120.0° |
| C20 | C21 | C26 | 118.9° | 119.4° |
| C21 | C20 | H12 | 107.8° | 109.5° |
| C21 | C20 | H28 | 107.8° | 109.5° |
| C21 | C26 | C25 | 118.6° | 119.3° |
| C21 | C26 | H19 | 120.7° | 120.3° |
| N5 | C6 | C7 | 123.1° | 121.6° |
| N5 | C6 | H15 | 118.4° | 119.2° |
| C13 | C12 | H4 | 109.3° | 109.5° |
| C13 | C12 | H5 | 109.3° | 109.6° |
| C12 | C13 | H6 | 109.7° | 109.6° |
| C12 | C13 | H7 | 109.7° | 109.6° |
| C26 | C25 | H18 | 120.7° | 120.9° |
| C25 | C26 | H19 | 120.7° | 120.4° |
| C6 | C7 | F | 119.6° | 120.0° |
| C7 | C6 | H15 | 118.5° | 119.2° |
| H1 | C9 | H2 | 109.5° | 109.4° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.6° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.6° |
| H12 | C20 | H28 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.6° |
| H22 | C30 | H23 | 109.4° | 109.4° |
| H24 | C33 | H25 | 109.4° | 109.5° |
| H24 | C33 | H26 | 109.4° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | O | C4 | C | 179.0° | 180.0° |
| C33 | O | C4 | N | 0.3° | 0.1° |
| O | C33 | H24 | H25 | 120.0° | 120.0° |
| O | C33 | H24 | H26 | 120.0° | 120.0° |
| O | C33 | H25 | H26 | 120.0° | 120.0° |
| O | C4 | C | N | 178.7° | 179.9° |
| O | C4 | C | C1 | 179.7° | 180.0° |
| O | C4 | N | C3 | 179.7° | 180.0° |
| O | C4 | C | H13 | 0.3° | 0.1° |
| C4 | O | C33 | H24 | 180.0° | 60.0° |
| C4 | O | C33 | H25 | 60.0° | 60.0° |
| C4 | O | C33 | H26 | 60.0° | 180.0° |
| C4 | C | C1 | H13 | 180.0° | 180.0° |
| C | C4 | N | C3 | 1.7° | 0.2° |
| C4 | C | C1 | C2 | 0.1° | 0.1° |
| C4 | C | C1 | H14 | 179.9° | 180.0° |
| N | C4 | C | C1 | 1.6° | 0.2° |
| C4 | N | C3 | C2 | 0.2° | 0.1° |
| C4 | N | C3 | C8 | 179.4° | 180.0° |
| N | C4 | C | H13 | 178.4° | 179.8° |
| C | C1 | C2 | H14 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 1.2° | 0.3° |
| C | C1 | C2 | N5 | 179.0° | 179.9° |
| O32 | C29 | N28 | C30 | 178.7° | 180.0° |
| O32 | C29 | N28 | C23 | 176.9° | 178.4° |
| O32 | C29 | C30 | O31 | 155.4° | 148.8° |
| O32 | C29 | N28 | H21 | 3.1° | 1.8° |
| O32 | C29 | C30 | H22 | 84.2° | 91.1° |
| O32 | C29 | C30 | H23 | 35.0° | 28.8° |
| C29 | N28 | C23 | H21 | 180.0° | 179.9° |
| N28 | C29 | C30 | O31 | 23.3° | 31.2° |
| C29 | N28 | C23 | N22 | 161.5° | 164.6° |
| C29 | N28 | C23 | C24 | 15.8° | 15.5° |
| N28 | C29 | C30 | H22 | 97.1° | 88.9° |
| N28 | C29 | C30 | H23 | 143.7° | 151.2° |
| C30 | C29 | N28 | C23 | 4.4° | 1.7° |
| C29 | C30 | O31 | H22 | 120.4° | 120.1° |
| C29 | C30 | O31 | H23 | 120.4° | 120.0° |
| C29 | C30 | O31 | C24 | 40.3° | 46.1° |
| C30 | C29 | N28 | H21 | 175.6° | 178.2° |
| C29 | C30 | H22 | H23 | 118.8° | 119.9° |
| N | C3 | C2 | C1 | 1.2° | 0.3° |
| N | C3 | C2 | C8 | 179.6° | 180.0° |
| N | C3 | C2 | N5 | 178.9° | 180.0° |
| N | C3 | C8 | C9 | 3.1° | 0.0° |
| N | C3 | C8 | C7 | 179.4° | 180.0° |
| N28 | C23 | N22 | C24 | 177.2° | 179.9° |
| N28 | C23 | N22 | C21 | 178.5° | 179.9° |
| N28 | C23 | C24 | O31 | 2.2° | 0.2° |
| N28 | C23 | C24 | C25 | 177.7° | 179.9° |
| C1 | C2 | C3 | N5 | 177.7° | 179.6° |
| C1 | C2 | C3 | C8 | 179.2° | 179.7° |
| C1 | C2 | N5 | C6 | 179.0° | 179.7° |
| C2 | C1 | C | H13 | 179.9° | 179.9° |
| O16 | C15 | C14 | H8 | 119.8° | 120.1° |
| O16 | C15 | C14 | H9 | 119.9° | 119.9° |
| O16 | C15 | C14 | N19 | 177.6° | 179.5° |
| O16 | C15 | C14 | C18 | 57.0° | 60.0° |
| O16 | C15 | C14 | C13 | 63.6° | 59.3° |
| C15 | O16 | C11 | C17 | 63.2° | 60.0° |
| C15 | O16 | C11 | C10 | 177.8° | 180.0° |
| C15 | O16 | C11 | C12 | 54.8° | 59.7° |
| O16 | C15 | H8 | H9 | 120.5° | 120.1° |
| C14 | C15 | O16 | C11 | 4.7° | 0.0° |
| C15 | C14 | N19 | C18 | 119.8° | 119.8° |
| C15 | C14 | N19 | C13 | 119.4° | 119.6° |
| C15 | C14 | N19 | C20 | 172.5° | 60.0° |
| C15 | C14 | C18 | C13 | 118.9° | 118.8° |
| C15 | C14 | C18 | C17 | 62.2° | 57.3° |
| C15 | C14 | C13 | C12 | 59.9° | 56.9° |
| C15 | C14 | C13 | H6 | 179.7° | 62.8° |
| C15 | C14 | C13 | H7 | 60.0° | 176.8° |
| C14 | C15 | H8 | H9 | 120.4° | 119.8° |
| C15 | C14 | C18 | H10 | 57.9° | 62.7° |
| C15 | C14 | C18 | H11 | 177.7° | 176.5° |
| C15 | C14 | N19 | H27 | 51.7° | 176.0° |
| O16 | C11 | C17 | C18 | 55.7° | 59.0° |
| O16 | C11 | C17 | C10 | 121.8° | 120.0° |
| O16 | C11 | C17 | C12 | 119.4° | 119.9° |
| O16 | C11 | C10 | C12 | 123.0° | 120.3° |
| O16 | C11 | C10 | C9 | 65.4° | 60.1° |
| O16 | C11 | C10 | O27 | 179.4° | 179.9° |
| O16 | C11 | C12 | C13 | 56.7° | 58.8° |
| O16 | C11 | C10 | H3 | 56.7° | 59.9° |
| O16 | C11 | C12 | H4 | 63.5° | 61.1° |
| O16 | C11 | C12 | H5 | 176.8° | 178.7° |
| C11 | O16 | C15 | H8 | 124.6° | 120.2° |
| C11 | O16 | C15 | H9 | 115.1° | 119.7° |
| O16 | C11 | C17 | H16 | 64.1° | 178.9° |
| O16 | C11 | C17 | H17 | 175.6° | 60.8° |
| C30 | O31 | C24 | C23 | 31.8° | 32.6° |
| C30 | O31 | C24 | C25 | 148.2° | 147.4° |
| O31 | C30 | H22 | H23 | 118.9° | 119.9° |
| N22 | C23 | C24 | O31 | 179.4° | 179.9° |
| N22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C23 | N22 | C21 | C20 | 179.8° | 179.9° |
| C23 | N22 | C21 | C26 | 1.6° | 0.3° |
| N22 | C23 | N28 | H21 | 18.4° | 15.2° |
| C24 | C23 | N22 | C21 | 1.2° | 0.0° |
| C23 | C24 | O31 | C25 | 179.9° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C23 | C24 | C25 | H18 | 180.0° | 179.9° |
| C24 | C23 | N28 | H21 | 164.2° | 164.7° |
| C2 | C3 | C8 | C9 | 177.2° | 180.0° |
| C2 | C3 | C8 | C7 | 1.0° | 0.1° |
| C3 | C2 | N5 | C6 | 1.4° | 0.1° |
| C3 | C2 | C1 | H14 | 178.8° | 179.8° |
| C8 | C3 | C2 | N5 | 1.5° | 0.1° |
| C3 | C8 | C9 | C10 | 101.9° | 90.0° |
| C3 | C8 | C9 | C7 | 176.3° | 180.0° |
| C3 | C8 | C7 | C6 | 0.4° | 0.0° |
| C3 | C8 | C7 | F | 179.4° | 179.9° |
| C3 | C8 | C9 | H1 | 136.7° | 30.1° |
| C3 | C8 | C9 | H2 | 19.4° | 150.0° |
| C2 | N5 | C6 | C7 | 0.8° | 0.0° |
| N5 | C2 | C1 | H14 | 1.0° | 0.2° |
| C2 | N5 | C6 | H15 | 179.3° | 180.0° |
| N22 | C21 | C20 | N19 | 59.8° | 84.7° |
| N22 | C21 | C20 | C26 | 178.7° | 179.6° |
| N22 | C21 | C26 | C25 | 1.2° | 0.6° |
| N22 | C21 | C20 | H12 | 179.2° | 155.3° |
| N22 | C21 | C26 | H19 | 178.8° | 179.7° |
| N22 | C21 | C20 | H28 | 61.1° | 35.3° |
| C14 | N19 | C20 | H27 | 120.9° | 124.0° |
| N19 | C14 | C18 | C13 | 118.4° | 120.8° |
| N19 | C14 | C18 | C17 | 175.1° | 177.7° |
| C14 | N19 | C20 | C21 | 168.4° | 180.0° |
| N19 | C14 | C13 | C12 | 178.1° | 177.3° |
| N19 | C14 | C13 | H6 | 58.3° | 57.5° |
| N19 | C14 | C13 | H7 | 62.0° | 62.9° |
| N19 | C14 | C15 | H8 | 57.8° | 59.4° |
| N19 | C14 | C15 | H9 | 62.5° | 60.6° |
| N19 | C14 | C18 | H10 | 64.8° | 57.8° |
| N19 | C14 | C18 | H11 | 55.1° | 63.0° |
| C14 | N19 | C20 | H12 | 70.7° | 60.0° |
| C14 | N19 | C20 | H28 | 47.4° | 59.9° |
| C20 | N19 | C14 | C18 | 52.8° | 179.8° |
| C20 | N19 | C14 | C13 | 68.1° | 59.6° |
| N19 | C20 | C21 | H12 | 120.9° | 120.0° |
| N19 | C20 | C21 | H28 | 120.9° | 120.1° |
| N19 | C20 | C21 | C26 | 121.5° | 94.9° |
| N19 | C20 | H12 | H28 | 117.0° | 120.0° |
| O31 | C24 | C25 | C26 | 179.9° | 179.8° |
| O31 | C24 | C25 | H18 | 0.1° | 0.1° |
| C24 | O31 | C30 | H22 | 80.1° | 74.0° |
| C24 | O31 | C30 | H23 | 160.7° | 166.1° |
| C14 | C18 | C17 | H10 | 120.0° | 120.5° |
| C14 | C18 | C17 | H11 | 120.0° | 119.2° |
| C14 | C18 | C17 | C11 | 5.3° | 0.2° |
| C18 | C14 | C13 | C12 | 58.6° | 61.8° |
| C18 | C14 | C13 | H6 | 61.2° | 178.4° |
| C18 | C14 | C13 | H7 | 178.4° | 58.0° |
| C18 | C14 | C15 | H8 | 62.8° | 179.9° |
| C18 | C14 | C15 | H9 | 176.9° | 59.9° |
| C14 | C18 | H10 | H11 | 119.8° | 120.8° |
| C14 | C18 | C17 | H16 | 125.1° | 120.1° |
| C14 | C18 | C17 | H17 | 114.6° | 119.7° |
| C18 | C14 | N19 | H27 | 68.1° | 56.2° |
| C13 | C14 | C18 | C17 | 56.7° | 61.5° |
| C14 | C13 | C12 | C11 | 0.8° | 0.1° |
| C14 | C13 | C12 | H6 | 119.8° | 119.8° |
| C14 | C13 | C12 | H7 | 119.8° | 120.0° |
| C14 | C13 | C12 | H4 | 120.9° | 119.8° |
| C14 | C13 | C12 | H5 | 119.3° | 120.1° |
| C14 | C13 | H6 | H7 | 120.5° | 120.5° |
| C13 | C14 | C15 | H8 | 176.6° | 60.9° |
| C13 | C14 | C15 | H9 | 56.3° | 179.1° |
| C13 | C14 | C18 | H10 | 176.7° | 178.6° |
| C13 | C14 | C18 | H11 | 63.4° | 57.8° |
| C13 | C14 | N19 | H27 | 171.1° | 64.3° |
| C24 | C25 | C26 | C21 | 0.3° | 0.6° |
| C24 | C25 | C26 | H18 | 180.0° | 179.7° |
| C24 | C25 | C26 | H19 | 179.7° | 179.7° |
| C18 | C17 | C11 | H16 | 119.8° | 119.9° |
| C18 | C17 | C11 | H17 | 119.9° | 119.8° |
| C18 | C17 | C11 | C10 | 177.5° | 179.1° |
| C18 | C17 | C11 | C12 | 63.6° | 60.9° |
| C17 | C18 | H10 | H11 | 119.9° | 120.2° |
| C18 | C17 | H16 | H17 | 120.4° | 120.0° |
| C17 | C11 | C10 | C12 | 117.5° | 119.9° |
| C17 | C11 | C10 | C9 | 175.1° | 180.0° |
| C17 | C11 | C10 | O27 | 61.1° | 60.0° |
| C17 | C11 | C12 | C13 | 61.7° | 60.9° |
| C17 | C11 | C10 | H3 | 62.8° | 60.0° |
| C17 | C11 | C12 | H4 | 178.2° | 179.2° |
| C17 | C11 | C12 | H5 | 58.4° | 59.0° |
| C11 | C17 | C18 | H10 | 114.8° | 120.7° |
| C11 | C17 | C18 | H11 | 125.3° | 119.1° |
| C11 | C17 | H16 | H17 | 120.4° | 120.2° |
| C11 | C10 | C9 | O27 | 118.4° | 120.0° |
| C11 | C10 | C9 | H3 | 121.7° | 120.0° |
| C11 | C10 | C9 | C8 | 174.1° | 175.0° |
| C11 | C10 | O27 | H3 | 122.9° | 120.0° |
| C10 | C11 | C12 | C13 | 179.1° | 179.0° |
| C11 | C10 | C9 | H1 | 64.6° | 65.0° |
| C11 | C10 | C9 | H2 | 52.7° | 55.0° |
| C10 | C11 | C12 | H4 | 60.8° | 59.2° |
| C10 | C11 | C12 | H5 | 59.0° | 61.0° |
| C10 | C11 | C17 | H16 | 57.7° | 61.0° |
| C10 | C11 | C17 | H17 | 62.6° | 59.3° |
| C11 | C10 | O27 | H20 | 180.0° | 60.0° |
| C12 | C11 | C10 | C9 | 57.6° | 60.1° |
| C12 | C11 | C10 | O27 | 56.4° | 59.8° |
| C11 | C12 | C13 | H4 | 120.1° | 119.9° |
| C11 | C12 | C13 | H5 | 120.1° | 120.0° |
| C12 | C11 | C10 | H3 | 179.7° | 179.8° |
| C11 | C12 | H4 | H5 | 119.7° | 120.2° |
| C11 | C12 | C13 | H6 | 120.6° | 119.9° |
| C11 | C12 | C13 | H7 | 119.0° | 119.8° |
| C12 | C11 | C17 | H16 | 176.5° | 59.0° |
| C12 | C11 | C17 | H17 | 56.2° | 179.3° |
| C10 | C9 | C8 | H1 | 121.4° | 120.1° |
| C10 | C9 | C8 | H2 | 121.3° | 120.0° |
| C9 | C10 | O27 | H3 | 119.1° | 120.0° |
| C10 | C9 | C8 | C7 | 81.8° | 90.0° |
| C10 | C9 | H1 | H2 | 115.7° | 119.9° |
| C9 | C10 | O27 | H20 | 62.0° | 60.0° |
| C8 | C9 | C10 | O27 | 67.5° | 65.0° |
| C9 | C8 | C7 | C6 | 176.6° | 180.0° |
| C9 | C8 | C7 | F | 4.5° | 0.1° |
| C8 | C9 | H1 | H2 | 115.7° | 120.0° |
| C8 | C9 | C10 | H3 | 52.4° | 54.9° |
| O27 | C10 | C9 | H1 | 53.9° | 55.0° |
| O27 | C10 | C9 | H2 | 171.2° | 175.0° |
| C8 | C7 | C6 | N5 | 0.3° | 0.0° |
| C8 | C7 | C6 | F | 179.0° | 180.0° |
| C7 | C8 | C9 | H1 | 39.5° | 150.0° |
| C7 | C8 | C9 | H2 | 156.8° | 30.0° |
| C8 | C7 | C6 | H15 | 179.7° | 180.0° |
| C20 | C21 | C26 | C25 | 179.8° | 179.8° |
| C21 | C20 | H12 | H28 | 117.0° | 120.0° |
| C20 | C21 | C26 | H19 | 0.2° | 0.1° |
| C21 | C20 | N19 | H27 | 47.5° | 56.0° |
| C21 | C26 | C25 | H19 | 180.0° | 179.7° |
| C26 | C21 | C20 | H12 | 0.5° | 25.1° |
| C21 | C26 | C25 | H18 | 179.7° | 179.8° |
| C26 | C21 | C20 | H28 | 117.6° | 145.0° |
| N5 | C6 | C7 | H15 | 180.0° | 179.9° |
| N5 | C6 | C7 | F | 179.3° | 179.9° |
| C13 | C12 | H4 | H5 | 119.7° | 120.2° |
| C12 | C13 | H6 | H7 | 120.5° | 120.3° |
| F | C7 | C6 | H15 | 0.7° | 0.0° |
| H1 | C9 | C10 | H3 | 173.7° | 175.0° |
| H2 | C9 | C10 | H3 | 69.0° | 65.1° |
| H3 | C10 | O27 | H20 | 57.1° | 180.0° |
| H4 | C12 | C13 | H6 | 119.3° | 0.0° |
| H4 | C12 | C13 | H7 | 1.1° | 120.3° |
| H5 | C12 | C13 | H6 | 0.5° | 120.2° |
| H5 | C12 | C13 | H7 | 120.9° | 0.1° |
| H10 | C18 | C17 | H16 | 5.1° | 119.3° |
| H10 | C18 | C17 | H17 | 125.4° | 0.8° |
| H11 | C18 | C17 | H16 | 114.8° | 0.9° |
| H11 | C18 | C17 | H17 | 5.5° | 121.0° |
| H12 | C20 | N19 | H27 | 168.5° | 176.0° |
| H13 | C | C1 | H14 | 0.1° | 0.0° |
| H18 | C25 | C26 | H19 | 0.3° | 0.1° |
| H24 | C33 | H25 | H26 | 119.9° | 120.1° |
| H27 | N19 | C20 | H28 | 73.4° | 64.0° |
