LB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| O1 | C28 | doub | 1.21Å | 1.23Å | |
| C28 | C19 | sing | 1.51Å | 1.54Å | |
| C28 | N4 | sing | 1.35Å | 1.32Å | |
| C19 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | O2 | doub | 1.22Å | 1.24Å | |
| C18 | C4 | sing | 1.48Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.53Å | |
| C6 | N | sing | 1.40Å | 1.43Å | |
| N | C7 | sing | 1.35Å | 1.34Å | |
| C7 | O | doub | 1.22Å | 1.22Å | |
| C7 | C8 | sing | 1.47Å | 1.50Å | |
| C9 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | N1 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| F1 | C17 | sing | 1.40Å | 1.37Å | |
| F | C17 | sing | 1.40Å | 1.31Å | |
| N2 | C10 | sing | 1.40Å | 1.43Å | |
| C17 | F2 | sing | 1.40Å | 1.33Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C14 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C22 | 112.6° | 109.4° |
| C27 | C26 | C25 | 111.8° | 109.5° |
| C26 | C27 | H12 | 108.7° | 109.5° |
| C26 | C27 | H13 | 108.7° | 109.5° |
| C27 | C26 | H14 | 108.9° | 109.4° |
| C27 | C26 | H15 | 108.9° | 109.5° |
| C27 | C22 | C21 | 110.0° | 109.5° |
| C27 | C22 | C23 | 109.7° | 109.5° |
| C27 | C22 | H11 | 108.3° | 109.5° |
| C22 | C27 | H12 | 108.7° | 109.5° |
| C22 | C27 | H13 | 108.7° | 109.5° |
| C22 | C21 | C20 | 117.3° | 109.5° |
| C21 | C22 | C23 | 112.8° | 109.4° |
| C22 | C21 | H9 | 107.5° | 109.5° |
| C22 | C21 | H10 | 107.5° | 109.5° |
| C21 | C22 | H11 | 107.9° | 109.5° |
| C21 | C20 | C19 | 122.7° | 109.5° |
| C21 | C20 | H7 | 106.1° | 109.4° |
| C21 | C20 | H8 | 106.1° | 109.5° |
| C20 | C21 | H9 | 107.5° | 109.5° |
| C20 | C21 | H10 | 107.5° | 109.5° |
| C26 | C25 | C24 | 110.7° | 109.4° |
| C25 | C26 | H14 | 108.9° | 109.4° |
| C25 | C26 | H15 | 108.9° | 109.5° |
| C26 | C25 | H16 | 109.2° | 109.4° |
| C26 | C25 | H17 | 109.2° | 109.5° |
| C25 | C24 | C23 | 110.6° | 109.5° |
| C24 | C25 | H16 | 109.2° | 109.5° |
| C24 | C25 | H17 | 109.2° | 109.5° |
| C25 | C24 | H18 | 109.2° | 109.4° |
| C25 | C24 | H19 | 109.2° | 109.4° |
| C22 | C23 | C24 | 113.0° | 109.4° |
| C23 | C22 | H11 | 108.1° | 109.4° |
| C22 | C23 | H20 | 108.6° | 109.5° |
| C22 | C23 | H21 | 108.6° | 109.4° |
| C20 | C19 | C28 | 114.0° | 109.5° |
| C20 | C19 | N3 | 108.5° | 109.5° |
| C20 | C19 | H6 | 107.9° | 109.5° |
| C19 | C20 | H7 | 106.1° | 109.5° |
| C19 | C20 | H8 | 106.1° | 109.5° |
| C23 | C24 | H18 | 109.2° | 109.5° |
| C23 | C24 | H19 | 109.2° | 109.5° |
| C24 | C23 | H20 | 108.6° | 109.5° |
| C24 | C23 | H21 | 108.6° | 109.5° |
| O1 | C28 | C19 | 120.1° | 120.0° |
| O1 | C28 | N4 | 122.9° | 120.0° |
| C19 | C28 | N4 | 116.9° | 120.0° |
| C28 | C19 | N3 | 109.5° | 109.4° |
| C28 | C19 | H6 | 108.0° | 109.5° |
| C28 | N4 | H3 | 120.0° | 120.0° |
| C28 | N4 | H4 | 120.0° | 120.0° |
| C19 | N3 | C18 | 121.8° | 120.0° |
| C19 | N3 | H2 | 119.1° | 120.0° |
| N3 | C19 | H6 | 108.8° | 109.5° |
| N3 | C18 | O2 | 121.4° | 120.0° |
| N3 | C18 | C4 | 117.6° | 120.0° |
| C18 | N3 | H2 | 119.1° | 120.0° |
| O2 | C18 | C4 | 121.0° | 120.0° |
| C18 | C4 | C3 | 124.2° | 120.1° |
| C18 | C4 | C5 | 117.2° | 120.1° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C3 | C4 | C5 | 118.6° | 119.8° |
| C4 | C3 | H22 | 119.7° | 120.0° |
| C3 | C2 | C1 | 121.7° | 120.2° |
| C3 | C2 | H1 | 119.2° | 119.9° |
| C2 | C3 | H22 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.9° | 119.7° |
| C4 | C5 | H5 | 119.5° | 120.1° |
| C2 | C1 | C6 | 117.6° | 120.2° |
| C2 | C1 | C | 121.0° | 119.9° |
| C1 | C2 | H1 | 119.1° | 119.9° |
| C5 | C6 | C1 | 120.7° | 120.0° |
| C5 | C6 | N | 120.3° | 119.9° |
| C6 | C5 | H5 | 119.6° | 120.2° |
| C6 | C1 | C | 121.4° | 119.9° |
| C1 | C6 | N | 118.8° | 120.0° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.5° | 109.5° |
| C6 | N | C7 | 124.8° | 120.0° |
| C6 | N | H26 | 117.6° | 120.0° |
| N | C7 | O | 122.9° | 120.0° |
| N | C7 | C8 | 116.5° | 120.0° |
| C7 | N | H26 | 117.6° | 120.0° |
| O | C7 | C8 | 120.6° | 120.1° |
| C7 | C8 | C9 | 131.1° | 126.4° |
| C7 | C8 | C16 | 123.7° | 126.4° |
| C8 | C9 | N1 | 112.0° | 108.1° |
| C9 | C8 | C16 | 104.8° | 107.2° |
| C8 | C9 | H27 | 124.0° | 125.9° |
| C9 | N1 | N2 | 104.9° | 108.9° |
| N1 | C9 | H27 | 124.0° | 126.0° |
| C8 | C16 | N2 | 106.4° | 107.4° |
| C8 | C16 | C17 | 130.5° | 126.3° |
| N1 | N2 | C16 | 111.9° | 108.4° |
| N1 | N2 | C10 | 118.5° | 125.8° |
| N2 | C16 | C17 | 123.0° | 126.3° |
| C16 | N2 | C10 | 129.2° | 125.8° |
| C16 | C17 | F1 | 113.4° | 109.4° |
| C16 | C17 | F | 111.6° | 109.5° |
| C16 | C17 | F2 | 112.6° | 109.5° |
| F1 | C17 | F | 106.6° | 109.5° |
| F1 | C17 | F2 | 106.0° | 109.4° |
| F | C17 | F2 | 106.1° | 109.5° |
| N2 | C10 | C11 | 119.6° | 120.0° |
| N2 | C10 | C15 | 120.3° | 120.0° |
| C11 | C10 | C15 | 120.1° | 119.9° |
| C10 | C11 | C12 | 119.7° | 119.9° |
| C10 | C11 | H32 | 120.2° | 120.1° |
| C10 | C15 | C14 | 119.6° | 119.9° |
| C10 | C15 | H28 | 120.2° | 120.1° |
| C11 | C12 | C13 | 120.3° | 120.0° |
| C11 | C12 | H31 | 119.9° | 119.9° |
| C12 | C11 | H32 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.1° |
| C14 | C15 | H28 | 120.2° | 120.0° |
| C15 | C14 | H29 | 119.8° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C12 | C13 | H30 | 120.0° | 119.9° |
| C13 | C12 | H31 | 119.9° | 120.0° |
| C13 | C14 | H29 | 119.8° | 120.0° |
| C14 | C13 | H30 | 120.0° | 119.9° |
| H3 | N4 | H4 | 120.0° | 120.0° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.4° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.4° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H23 | C | H25 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C22 | H12 | 120.5° | 120.0° |
| C26 | C27 | C22 | H13 | 120.5° | 120.0° |
| C26 | C27 | C22 | C21 | 177.4° | 180.0° |
| C27 | C26 | C25 | H14 | 120.4° | 119.9° |
| C27 | C26 | C25 | H15 | 120.4° | 120.1° |
| C27 | C26 | C25 | C24 | 55.8° | 60.0° |
| C26 | C27 | C22 | C23 | 52.8° | 60.0° |
| C26 | C27 | C22 | H11 | 64.9° | 60.0° |
| C26 | C27 | H12 | H13 | 118.6° | 120.0° |
| C27 | C26 | H14 | H15 | 118.9° | 120.0° |
| C27 | C26 | C25 | H16 | 64.3° | 60.0° |
| C27 | C26 | C25 | H17 | 176.0° | 179.9° |
| C27 | C22 | C21 | C23 | 122.8° | 120.0° |
| C27 | C22 | C21 | H11 | 117.9° | 120.0° |
| C27 | C22 | C21 | C20 | 178.6° | 65.0° |
| C22 | C27 | C26 | C25 | 55.1° | 60.0° |
| C27 | C22 | C23 | H11 | 117.8° | 120.0° |
| C27 | C22 | C23 | C24 | 53.9° | 60.0° |
| C27 | C22 | C21 | H9 | 57.4° | 175.0° |
| C27 | C22 | C21 | H10 | 60.3° | 55.0° |
| C22 | C27 | H12 | H13 | 118.5° | 120.0° |
| C22 | C27 | C26 | H14 | 175.4° | 180.0° |
| C22 | C27 | C26 | H15 | 65.3° | 60.0° |
| C27 | C22 | C23 | H20 | 174.5° | 180.0° |
| C27 | C22 | C23 | H21 | 66.6° | 60.0° |
| C22 | C21 | C20 | H9 | 121.1° | 120.0° |
| C22 | C21 | C20 | H10 | 121.1° | 120.0° |
| C21 | C22 | C23 | H11 | 119.2° | 120.0° |
| C22 | C21 | C20 | C19 | 55.7° | 180.0° |
| C21 | C22 | C23 | C24 | 176.9° | NaN° |
| C22 | C21 | C20 | H7 | 177.6° | 60.0° |
| C22 | C21 | C20 | H8 | 66.1° | 60.0° |
| C22 | C21 | H9 | H10 | 116.5° | 120.0° |
| C21 | C22 | C27 | H12 | 62.1° | 60.0° |
| C21 | C22 | C27 | H13 | 56.9° | 60.0° |
| C21 | C22 | C23 | H20 | 62.6° | 60.0° |
| C21 | C22 | C23 | H21 | 56.3° | 60.0° |
| C20 | C21 | C22 | C23 | 58.7° | 175.0° |
| C21 | C20 | C19 | H7 | 121.8° | 120.0° |
| C21 | C20 | C19 | H8 | 121.8° | 120.0° |
| C21 | C20 | C19 | C28 | 69.6° | 175.0° |
| C21 | C20 | C19 | N3 | 168.0° | 65.0° |
| C21 | C20 | C19 | H6 | 50.3° | 55.0° |
| C21 | C20 | H7 | H8 | 114.0° | 119.9° |
| C20 | C21 | H9 | H10 | 116.4° | 119.9° |
| C20 | C21 | C22 | H11 | 60.6° | 55.0° |
| C26 | C25 | C24 | H16 | 120.2° | 120.0° |
| C26 | C25 | C24 | H17 | 120.2° | 120.0° |
| C26 | C25 | C24 | C23 | 56.0° | 60.0° |
| C25 | C26 | C27 | H12 | 175.5° | 59.9° |
| C25 | C26 | C27 | H13 | 65.4° | 180.0° |
| C25 | C26 | H14 | H15 | 118.9° | 120.0° |
| C26 | C25 | H16 | H17 | 119.5° | 120.0° |
| C26 | C25 | C24 | H18 | 176.2° | 180.0° |
| C26 | C25 | C24 | H19 | 64.2° | 60.0° |
| C25 | C24 | C23 | C22 | 56.2° | 60.0° |
| C25 | C24 | C23 | H18 | 120.2° | 120.0° |
| C25 | C24 | C23 | H19 | 120.2° | 120.0° |
| C24 | C25 | C26 | H14 | 176.2° | 180.0° |
| C24 | C25 | C26 | H15 | 64.5° | 60.0° |
| C24 | C25 | H16 | H17 | 119.5° | 120.1° |
| C25 | C24 | H18 | H19 | 119.5° | 120.0° |
| C25 | C24 | C23 | H20 | 176.8° | 180.0° |
| C25 | C24 | C23 | H21 | 64.3° | 60.0° |
| C22 | C23 | C24 | H20 | 120.5° | 120.0° |
| C22 | C23 | C24 | H21 | 120.5° | 119.9° |
| C23 | C22 | C21 | H9 | 179.8° | 54.9° |
| C23 | C22 | C21 | H10 | 62.4° | 65.0° |
| C23 | C22 | C27 | H12 | 173.3° | 60.0° |
| C23 | C22 | C27 | H13 | 67.6° | 180.0° |
| C22 | C23 | C24 | H18 | 176.4° | 179.9° |
| C22 | C23 | C24 | H19 | 63.9° | 60.0° |
| C22 | C23 | H20 | H21 | 118.4° | 120.0° |
| C20 | C19 | C28 | O1 | 9.3° | 120.0° |
| C20 | C19 | C28 | N3 | 121.8° | 120.0° |
| C20 | C19 | C28 | H6 | 119.8° | 120.0° |
| C20 | C19 | C28 | N4 | 173.1° | 60.0° |
| C20 | C19 | N3 | H6 | 117.1° | 120.0° |
| C20 | C19 | N3 | C18 | 91.9° | 155.0° |
| C20 | C19 | N3 | H2 | 88.1° | 25.0° |
| C19 | C20 | H7 | H8 | 114.0° | 120.0° |
| C19 | C20 | C21 | H9 | 65.4° | 60.0° |
| C19 | C20 | C21 | H10 | 176.9° | 60.0° |
| C24 | C23 | C22 | H11 | 63.9° | 60.0° |
| C23 | C24 | C25 | H16 | 64.2° | 60.0° |
| C23 | C24 | C25 | H17 | 176.2° | 180.0° |
| C23 | C24 | H18 | H19 | 119.5° | 120.0° |
| C24 | C23 | H20 | H21 | 118.4° | 120.0° |
| O1 | C28 | C19 | N4 | 177.6° | 180.0° |
| O1 | C28 | C19 | N3 | 112.5° | 0.0° |
| O1 | C28 | N4 | H3 | 0.0° | 180.0° |
| O1 | C28 | N4 | H4 | 180.0° | 0.1° |
| O1 | C28 | C19 | H6 | 129.1° | 120.0° |
| C28 | C19 | N3 | H6 | 117.8° | 120.0° |
| C28 | C19 | N3 | C18 | 143.1° | 85.0° |
| C28 | C19 | N3 | H2 | 36.9° | 95.0° |
| C19 | C28 | N4 | H3 | 177.5° | 0.1° |
| C19 | C28 | N4 | H4 | 2.5° | 180.0° |
| C28 | C19 | C20 | H7 | 52.2° | 65.0° |
| C28 | C19 | C20 | H8 | 168.6° | 55.0° |
| N4 | C28 | C19 | N3 | 65.1° | 180.0° |
| C28 | N4 | H3 | H4 | 180.0° | 179.9° |
| N4 | C28 | C19 | H6 | 53.3° | 60.0° |
| C19 | N3 | C18 | H2 | 180.0° | 180.0° |
| C19 | N3 | C18 | O2 | 4.0° | 0.1° |
| C19 | N3 | C18 | C4 | 174.7° | 180.0° |
| N3 | C19 | C20 | H7 | 70.1° | 55.0° |
| N3 | C19 | C20 | H8 | 46.2° | 175.0° |
| N3 | C18 | O2 | C4 | 178.6° | 179.9° |
| N3 | C18 | C4 | C3 | 16.0° | 0.3° |
| N3 | C18 | C4 | C5 | 165.9° | 180.0° |
| C18 | N3 | C19 | H6 | 25.3° | 35.0° |
| O2 | C18 | C4 | C3 | 162.7° | 179.7° |
| O2 | C18 | C4 | C5 | 15.4° | 0.0° |
| O2 | C18 | N3 | H2 | 176.0° | 180.0° |
| C18 | C4 | C3 | C5 | 178.1° | 179.7° |
| C18 | C4 | C3 | C2 | 178.5° | 179.7° |
| C18 | C4 | C5 | C6 | 178.9° | 180.0° |
| C4 | C18 | N3 | H2 | 5.3° | 0.1° |
| C18 | C4 | C5 | H5 | 1.1° | 0.0° |
| C18 | C4 | C3 | H22 | 1.5° | 0.4° |
| C4 | C3 | C2 | H22 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C3 | C2 | H1 | 179.5° | 179.8° |
| C3 | C4 | C5 | H5 | 179.3° | 179.7° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 1.0° | 0.2° |
| C3 | C2 | C1 | C | 176.6° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.5° |
| C4 | C5 | C6 | N | 175.6° | 180.0° |
| C5 | C4 | C3 | H22 | 179.6° | 179.9° |
| C2 | C1 | C6 | C5 | 0.8° | 0.5° |
| C2 | C1 | C6 | C | 177.6° | 180.0° |
| C2 | C1 | C6 | N | 176.6° | 180.0° |
| C1 | C2 | C3 | H22 | 179.6° | 179.9° |
| C2 | C1 | C | H23 | 91.2° | 90.0° |
| C2 | C1 | C | H24 | 148.8° | 150.0° |
| C2 | C1 | C | H25 | 28.8° | 30.0° |
| C5 | C6 | C1 | N | 175.8° | 179.4° |
| C5 | C6 | C1 | C | 176.9° | 179.5° |
| C5 | C6 | N | C7 | 57.1° | 24.9° |
| C5 | C6 | N | H26 | 122.9° | 155.1° |
| C1 | C6 | N | C7 | 118.7° | 154.6° |
| C6 | C1 | C2 | H1 | 179.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 179.5° |
| C6 | C1 | C | H23 | 91.2° | 90.0° |
| C6 | C1 | C | H24 | 28.8° | 30.0° |
| C6 | C1 | C | H25 | 148.8° | 150.0° |
| C1 | C6 | N | H26 | 61.3° | 25.4° |
| C | C1 | C6 | N | 1.1° | 0.0° |
| C | C1 | C2 | H1 | 3.4° | 0.1° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| C6 | N | C7 | H26 | 180.0° | 180.0° |
| C6 | N | C7 | O | 6.1° | 5.5° |
| C6 | N | C7 | C8 | 174.9° | 174.5° |
| N | C6 | C5 | H5 | 4.4° | 0.0° |
| N | C7 | O | C8 | 178.9° | 180.0° |
| N | C7 | C8 | C9 | 18.5° | 0.0° |
| N | C7 | C8 | C16 | 169.3° | 180.0° |
| O | C7 | C8 | C9 | 162.5° | 180.0° |
| O | C7 | C8 | C16 | 9.7° | 0.0° |
| O | C7 | N | H26 | 173.8° | 174.5° |
| C7 | C8 | C9 | C16 | 173.3° | 180.0° |
| C7 | C8 | C9 | N1 | 171.4° | 180.0° |
| C7 | C8 | C16 | N2 | 172.1° | 180.0° |
| C7 | C8 | C16 | C17 | 7.5° | 0.0° |
| C8 | C7 | N | H26 | 5.1° | 5.5° |
| C7 | C8 | C9 | H27 | 8.6° | 0.0° |
| C8 | C9 | N1 | H27 | 180.0° | 180.0° |
| C8 | C9 | N1 | N2 | 1.2° | 0.0° |
| C9 | C8 | C16 | N2 | 1.9° | 0.0° |
| C9 | C8 | C16 | C17 | 178.6° | 180.0° |
| N1 | C9 | C8 | C16 | 2.0° | 0.0° |
| C9 | N1 | N2 | C16 | 0.1° | 0.0° |
| C9 | N1 | N2 | C10 | 173.4° | 180.0° |
| C8 | C16 | N2 | N1 | 1.3° | 0.0° |
| C8 | C16 | N2 | C17 | 179.6° | 180.0° |
| C8 | C16 | C17 | F1 | 76.4° | 30.0° |
| C8 | C16 | C17 | F | 44.0° | 150.0° |
| C8 | C16 | N2 | C10 | 171.3° | 180.0° |
| C8 | C16 | C17 | F2 | 163.2° | 90.0° |
| C16 | C8 | C9 | H27 | 178.0° | 180.0° |
| N1 | N2 | C16 | C10 | 172.6° | 180.0° |
| N1 | N2 | C16 | C17 | 179.1° | 180.0° |
| N1 | N2 | C10 | C11 | 105.7° | 35.0° |
| N1 | N2 | C10 | C15 | 75.5° | 145.3° |
| N2 | N1 | C9 | H27 | 178.8° | 180.0° |
| N2 | C16 | C17 | F1 | 103.1° | 150.0° |
| N2 | C16 | C17 | F | 136.5° | 30.0° |
| N2 | C16 | C17 | F2 | 17.3° | 90.0° |
| C16 | N2 | C10 | C11 | 66.4° | 145.0° |
| C16 | N2 | C10 | C15 | 112.4° | 34.7° |
| C16 | C17 | F1 | F | 123.3° | 120.0° |
| C16 | C17 | F1 | F2 | 124.1° | 120.0° |
| C16 | C17 | F | F2 | 123.0° | 120.0° |
| C17 | C16 | N2 | C10 | 8.3° | 0.0° |
| F1 | C17 | F | F2 | 112.6° | 120.0° |
| N2 | C10 | C11 | C15 | 178.8° | 179.7° |
| N2 | C10 | C11 | C12 | 179.0° | 179.7° |
| N2 | C10 | C15 | C14 | 180.0° | 180.0° |
| N2 | C10 | C15 | H28 | 0.0° | 0.0° |
| N2 | C10 | C11 | H32 | 1.0° | 0.0° |
| C10 | C11 | C12 | H32 | 180.0° | 179.7° |
| C11 | C10 | C15 | C14 | 1.2° | 0.3° |
| C10 | C11 | C12 | C13 | 0.8° | 0.6° |
| C11 | C10 | C15 | H28 | 178.8° | 179.7° |
| C10 | C11 | C12 | H31 | 179.2° | 179.7° |
| C15 | C10 | C11 | C12 | 0.2° | 0.6° |
| C10 | C15 | C14 | H28 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 1.3° | 0.0° |
| C10 | C15 | C14 | H29 | 178.7° | 180.0° |
| C15 | C10 | C11 | H32 | 179.8° | 179.7° |
| C11 | C12 | C13 | H31 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.7° | 0.3° |
| C11 | C12 | C13 | H30 | 179.2° | 179.8° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C15 | C14 | C13 | H29 | 180.0° | 179.9° |
| C15 | C14 | C13 | H30 | 179.7° | 179.9° |
| C12 | C13 | C14 | H30 | 180.0° | 179.9° |
| C12 | C13 | C14 | H29 | 179.7° | 179.9° |
| C13 | C12 | C11 | H32 | 179.2° | 179.7° |
| C13 | C14 | C15 | H28 | 178.7° | 180.0° |
| C14 | C13 | C12 | H31 | 179.2° | 180.0° |
| H1 | C2 | C3 | H22 | 0.4° | 0.3° |
| H2 | N3 | C19 | H6 | 154.7° | 145.0° |
| H6 | C19 | C20 | H7 | 172.1° | 175.0° |
| H6 | C19 | C20 | H8 | 71.6° | 65.0° |
| H7 | C20 | C21 | H9 | 56.4° | 180.0° |
| H7 | C20 | C21 | H10 | 61.3° | 60.1° |
| H8 | C20 | C21 | H9 | 172.7° | 60.1° |
| H8 | C20 | C21 | H10 | 55.0° | 180.0° |
| H9 | C21 | C22 | H11 | 60.5° | 65.0° |
| H10 | C21 | C22 | H11 | 178.3° | 175.0° |
| H11 | C22 | C27 | H12 | 55.6° | 180.0° |
| H11 | C22 | C27 | H13 | 174.7° | 60.0° |
| H11 | C22 | C23 | H20 | 56.6° | 60.0° |
| H11 | C22 | C23 | H21 | 175.6° | NaN° |
| H12 | C27 | C26 | H14 | 64.1° | 60.0° |
| H12 | C27 | C26 | H15 | 55.1° | 180.0° |
| H13 | C27 | C26 | H14 | 55.0° | 60.1° |
| H13 | C27 | C26 | H15 | 174.2° | 59.9° |
| H14 | C26 | C25 | H16 | 56.0° | 60.0° |
| H14 | C26 | C25 | H17 | 63.6° | 60.0° |
| H15 | C26 | C25 | H16 | 175.3° | 180.0° |
| H15 | C26 | C25 | H17 | 55.6° | 60.0° |
| H16 | C25 | C24 | H18 | 56.0° | 60.0° |
| H16 | C25 | C24 | H19 | 175.7° | 180.0° |
| H17 | C25 | C24 | H18 | 63.7° | 60.0° |
| H17 | C25 | C24 | H19 | 56.0° | 60.0° |
| H18 | C24 | C23 | H20 | 63.1° | 60.0° |
| H18 | C24 | C23 | H21 | 55.9° | 60.0° |
| H19 | C24 | C23 | H20 | 56.6° | 60.0° |
| H19 | C24 | C23 | H21 | 175.6° | 179.9° |
| H23 | C | H24 | H25 | 120.0° | 119.9° |
| H28 | C15 | C14 | H29 | 1.3° | 0.0° |
| H29 | C14 | C13 | H30 | 0.3° | 0.0° |
| H30 | C13 | C12 | H31 | 0.8° | 0.0° |
| H31 | C12 | C11 | H32 | 0.8° | 0.1° |
