8LU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.38Å | |
| C1 | C2 | doub | 1.38Å | 1.54Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.32Å | Aromatic |
| CL1 | C4 | sing | 1.74Å | 1.79Å | |
| C2 | C3 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.54Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.54Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.33Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.48Å | |
| N1 | C7 | sing | 1.38Å | 1.47Å | |
| N2 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.39Å | Aromatic |
| N3 | C9 | sing | 1.34Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | N4 | sing | 1.40Å | 1.50Å | |
| C12 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | C18 | doub | 1.21Å | 1.19Å | |
| C28 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| F2 | C19 | sing | 1.40Å | 1.38Å | |
| N4 | C13 | sing | 1.35Å | 1.49Å | |
| C20 | O3 | sing | 1.36Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | N5 | sing | 1.35Å | 1.44Å | |
| C13 | O2 | doub | 1.21Å | 1.17Å | |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C14 | N5 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | sing | 1.54Å | 1.51Å | |
| O3 | C21 | sing | 1.43Å | 1.42Å | |
| N5 | C17 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.60Å | |
| C23 | N6 | sing | 1.47Å | 1.32Å | |
| N6 | C27 | sing | 1.47Å | 1.32Å | |
| N6 | C24 | sing | 1.47Å | 1.35Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | O4 | sing | 1.43Å | 1.39Å | |
| C25 | O4 | sing | 1.43Å | 1.39Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 120.6° | 119.9° |
| F1 | C1 | C4 | 119.1° | 120.0° |
| C2 | C1 | C4 | 120.3° | 120.1° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C1 | C2 | H1 | 120.2° | 120.0° |
| C1 | C4 | CL1 | 119.0° | 120.0° |
| C1 | C4 | C5 | 120.4° | 120.0° |
| CL1 | C4 | C5 | 120.6° | 120.0° |
| C2 | C3 | C6 | 119.7° | 120.0° |
| C3 | C2 | H1 | 120.1° | 120.0° |
| C2 | C3 | H2 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C3 | C6 | C5 | 120.6° | 119.9° |
| C3 | C6 | N1 | 119.2° | 120.0° |
| C6 | C3 | H2 | 120.1° | 120.0° |
| C5 | C6 | N1 | 120.2° | 120.1° |
| C6 | C5 | H3 | 120.4° | 120.0° |
| C6 | N1 | C7 | 121.9° | 120.0° |
| C6 | N1 | H4 | 119.1° | 119.9° |
| N1 | C7 | N2 | 123.2° | 120.9° |
| N1 | C7 | C10 | 117.0° | 120.9° |
| C7 | N1 | H4 | 119.1° | 120.0° |
| C7 | N2 | C8 | 117.4° | 121.5° |
| N2 | C7 | C10 | 119.8° | 118.3° |
| N2 | C8 | N3 | 126.7° | 122.9° |
| N2 | C8 | H5 | 116.7° | 118.5° |
| C7 | C10 | C11 | 121.5° | 121.9° |
| C7 | C10 | C9 | 117.4° | 118.2° |
| C8 | N3 | C9 | 117.4° | 120.5° |
| N3 | C8 | H5 | 116.6° | 118.6° |
| C11 | C10 | C9 | 121.1° | 119.9° |
| C10 | C11 | C12 | 119.4° | 119.6° |
| C10 | C11 | H6 | 120.3° | 120.2° |
| C10 | C9 | N3 | 120.5° | 118.6° |
| C10 | C9 | C28 | 119.3° | 119.6° |
| N3 | C9 | C28 | 120.2° | 121.8° |
| C11 | C12 | N4 | 118.9° | 119.7° |
| C11 | C12 | C20 | 121.2° | 120.5° |
| C12 | C11 | H6 | 120.3° | 120.2° |
| C9 | C28 | C20 | 120.1° | 119.7° |
| C9 | C28 | H32 | 119.9° | 120.1° |
| N4 | C12 | C20 | 119.9° | 119.8° |
| C12 | N4 | C13 | 119.7° | 120.0° |
| C12 | N4 | H7 | 120.2° | 119.9° |
| C12 | C20 | C28 | 118.9° | 120.7° |
| C12 | C20 | O3 | 119.4° | 119.6° |
| O1 | C18 | C19 | 120.0° | 120.0° |
| O1 | C18 | N5 | 120.2° | 120.0° |
| C28 | C20 | O3 | 121.7° | 119.6° |
| C20 | C28 | H32 | 119.9° | 120.2° |
| F2 | C19 | C18 | 110.2° | 109.5° |
| F2 | C19 | H15 | 109.3° | 109.5° |
| F2 | C19 | H16 | 109.3° | 109.5° |
| N4 | C13 | O2 | 119.9° | 120.0° |
| N4 | C13 | C14 | 119.3° | 120.0° |
| C13 | N4 | H7 | 120.1° | 120.1° |
| C20 | O3 | C21 | 116.3° | 117.0° |
| C19 | C18 | N5 | 119.8° | 120.0° |
| C18 | C19 | H15 | 109.3° | 109.4° |
| C18 | C19 | H16 | 109.3° | 109.4° |
| C18 | N5 | C14 | 126.3° | 125.7° |
| C18 | N5 | C17 | 126.2° | 125.6° |
| O2 | C13 | C14 | 120.8° | 120.0° |
| C13 | C14 | N5 | 110.1° | 109.9° |
| C13 | C14 | C15 | 108.0° | 109.9° |
| C13 | C14 | H8 | 108.8° | 109.8° |
| N5 | C14 | C15 | 110.4° | 107.3° |
| C14 | N5 | C17 | 107.5° | 108.7° |
| N5 | C14 | H8 | 110.1° | 109.9° |
| C14 | C15 | C16 | 104.8° | 102.9° |
| C15 | C14 | H8 | 109.4° | 110.0° |
| C14 | C15 | H9 | 110.6° | 110.7° |
| C14 | C15 | H10 | 110.6° | 110.7° |
| O3 | C21 | C22 | 112.2° | 109.5° |
| O3 | C21 | H17 | 108.8° | 109.5° |
| O3 | C21 | H18 | 108.8° | 109.5° |
| N5 | C17 | C16 | 106.5° | 104.8° |
| N5 | C17 | H13 | 110.2° | 110.4° |
| N5 | C17 | H14 | 110.2° | 110.5° |
| C21 | C22 | C23 | 113.7° | 109.5° |
| C22 | C21 | H17 | 108.8° | 109.4° |
| C22 | C21 | H18 | 108.8° | 109.5° |
| C21 | C22 | H19 | 108.4° | 109.4° |
| C21 | C22 | H20 | 108.4° | 109.4° |
| C15 | C16 | C17 | 105.0° | 101.6° |
| C16 | C15 | H9 | 110.6° | 110.8° |
| C16 | C15 | H10 | 110.6° | 110.7° |
| C15 | C16 | H11 | 110.6° | 111.0° |
| C15 | C16 | H12 | 110.6° | 111.0° |
| C17 | C16 | H11 | 110.6° | 111.0° |
| C17 | C16 | H12 | 110.6° | 111.1° |
| C16 | C17 | H13 | 110.2° | 110.3° |
| C16 | C17 | H14 | 110.2° | 110.3° |
| C22 | C23 | N6 | 112.1° | 109.5° |
| C23 | C22 | H19 | 108.4° | 109.5° |
| C23 | C22 | H20 | 108.4° | 109.5° |
| C22 | C23 | H21 | 108.8° | 109.5° |
| C22 | C23 | H22 | 108.8° | 109.5° |
| C23 | N6 | C27 | 111.2° | 111.0° |
| C23 | N6 | C24 | 113.3° | 111.0° |
| N6 | C23 | H21 | 108.8° | 109.5° |
| N6 | C23 | H22 | 108.8° | 109.4° |
| C27 | N6 | C24 | 113.7° | 110.7° |
| N6 | C27 | C26 | 114.5° | 109.3° |
| N6 | C27 | H30 | 108.2° | 109.5° |
| N6 | C27 | H31 | 108.2° | 109.5° |
| N6 | C24 | C25 | 114.9° | 109.3° |
| N6 | C24 | H24 | 108.1° | 109.5° |
| N6 | C24 | H25 | 108.1° | 109.5° |
| C27 | C26 | O4 | 110.6° | 109.3° |
| C27 | C26 | H28 | 109.2° | 109.5° |
| C27 | C26 | H29 | 109.2° | 109.6° |
| C26 | C27 | H30 | 108.2° | 109.5° |
| C26 | C27 | H31 | 108.2° | 109.6° |
| C24 | C25 | O4 | 112.5° | 109.3° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| C25 | C24 | H25 | 108.1° | 109.6° |
| C24 | C25 | H26 | 108.7° | 109.5° |
| C24 | C25 | H27 | 108.7° | 109.5° |
| C26 | O4 | C25 | 114.9° | 113.7° |
| O4 | C26 | H28 | 109.2° | 109.5° |
| O4 | C26 | H29 | 109.2° | 109.5° |
| O4 | C25 | H26 | 108.7° | 109.5° |
| O4 | C25 | H27 | 108.8° | 109.5° |
| H9 | C15 | H10 | 109.5° | 110.8° |
| H11 | C16 | H12 | 109.4° | 110.9° |
| H13 | C17 | H14 | 109.5° | 110.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C4 | 180.0° | 179.7° |
| F1 | C1 | C4 | CL1 | 0.2° | 0.0° |
| F1 | C1 | C2 | C3 | 179.9° | 180.0° |
| F1 | C1 | C4 | C5 | 179.9° | 180.0° |
| F1 | C1 | C2 | H1 | 0.1° | 0.0° |
| C2 | C1 | C4 | CL1 | 179.8° | 179.8° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C4 | C5 | 0.1° | 0.3° |
| C1 | C2 | C3 | C6 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C1 | C4 | CL1 | C5 | 179.7° | 180.0° |
| C4 | C1 | C2 | C3 | 0.1° | 0.2° |
| C1 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C1 | C2 | H1 | 179.9° | 179.7° |
| C1 | C4 | C5 | H3 | 179.7° | 180.0° |
| CL1 | C4 | C5 | C6 | 180.0° | 180.0° |
| CL1 | C4 | C5 | H3 | 0.0° | 0.0° |
| C2 | C3 | C6 | H2 | 180.0° | 180.0° |
| C2 | C3 | C6 | C5 | 0.1° | 0.2° |
| C2 | C3 | C6 | N1 | 179.8° | 180.0° |
| C4 | C5 | C6 | C3 | 0.3° | 0.2° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 180.0° | 180.0° |
| C3 | C6 | C5 | N1 | 179.6° | 179.8° |
| C3 | C6 | N1 | C7 | 139.8° | 147.4° |
| C6 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | C6 | C5 | H3 | 179.7° | 179.8° |
| C3 | C6 | N1 | H4 | 40.2° | 32.7° |
| C5 | C6 | N1 | C7 | 40.5° | 32.9° |
| C5 | C6 | C3 | H2 | 179.9° | 179.8° |
| C5 | C6 | N1 | H4 | 139.5° | 147.1° |
| C6 | N1 | C7 | H4 | 180.0° | 179.9° |
| C6 | N1 | C7 | N2 | 20.1° | 5.6° |
| C6 | N1 | C7 | C10 | 157.6° | 174.7° |
| N1 | C6 | C3 | H2 | 0.2° | 0.0° |
| N1 | C6 | C5 | H3 | 0.0° | 0.0° |
| N1 | C7 | N2 | C10 | 177.6° | 179.7° |
| N1 | C7 | N2 | C8 | 176.9° | 179.9° |
| N1 | C7 | C10 | C11 | 1.6° | 0.1° |
| N1 | C7 | C10 | C9 | 178.6° | 179.8° |
| C7 | N2 | C8 | N3 | 10.5° | 0.0° |
| N2 | C7 | C10 | C11 | 179.3° | 179.8° |
| N2 | C7 | C10 | C9 | 0.8° | 0.5° |
| N2 | C7 | N1 | H4 | 159.9° | 174.5° |
| C7 | N2 | C8 | H5 | 169.5° | 180.0° |
| C8 | N2 | C7 | C10 | 5.5° | 0.2° |
| N2 | C8 | N3 | H5 | 180.0° | 180.0° |
| N2 | C8 | N3 | C9 | 9.8° | 0.0° |
| C7 | C10 | C11 | C9 | 179.8° | 179.7° |
| C7 | C10 | C9 | N3 | 0.1° | 0.5° |
| C7 | C10 | C11 | C12 | 179.7° | 180.0° |
| C7 | C10 | C9 | C28 | 179.9° | 179.7° |
| C10 | C7 | N1 | H4 | 22.4° | 5.2° |
| C7 | C10 | C11 | H6 | 0.3° | 0.1° |
| C8 | N3 | C9 | C10 | 4.0° | 0.3° |
| C8 | N3 | C9 | C28 | 176.0° | 179.9° |
| C11 | C10 | C9 | N3 | 179.9° | 179.8° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C11 | C10 | C9 | C28 | 0.1° | 0.0° |
| C10 | C11 | C12 | N4 | 179.5° | 180.0° |
| C10 | C11 | C12 | C20 | 0.0° | 0.1° |
| C10 | C9 | N3 | C28 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C10 | C9 | C28 | C20 | 0.4° | 0.6° |
| C9 | C10 | C11 | H6 | 179.9° | 179.8° |
| C10 | C9 | C28 | H32 | 179.6° | 179.7° |
| N3 | C9 | C28 | C20 | 179.6° | 179.2° |
| C9 | N3 | C8 | H5 | 170.2° | 180.0° |
| N3 | C9 | C28 | H32 | 0.4° | 0.1° |
| C11 | C12 | N4 | C20 | 179.5° | 179.9° |
| C11 | C12 | C20 | C28 | 0.3° | 0.5° |
| C11 | C12 | N4 | C13 | 122.0° | 33.1° |
| C11 | C12 | C20 | O3 | 179.5° | 179.9° |
| C11 | C12 | N4 | H7 | 58.0° | 146.9° |
| C9 | C28 | C20 | C12 | 0.5° | 0.8° |
| C9 | C28 | C20 | H32 | 180.0° | 179.1° |
| C9 | C28 | C20 | O3 | 179.7° | 179.7° |
| N4 | C12 | C20 | C28 | 179.2° | 179.5° |
| C12 | N4 | C13 | H7 | 180.0° | 180.0° |
| N4 | C12 | C20 | O3 | 0.1° | 0.0° |
| C12 | N4 | C13 | O2 | 0.4° | 4.7° |
| C12 | N4 | C13 | C14 | 179.4° | 175.4° |
| N4 | C12 | C11 | H6 | 0.5° | 0.1° |
| C12 | C20 | C28 | O3 | 179.3° | 179.5° |
| C20 | C12 | N4 | C13 | 58.5° | 146.8° |
| C12 | C20 | O3 | C21 | 166.8° | 180.0° |
| C20 | C12 | C11 | H6 | 180.0° | 180.0° |
| C20 | C12 | N4 | H7 | 121.5° | 33.1° |
| C12 | C20 | C28 | H32 | 179.6° | 179.9° |
| O1 | C18 | C19 | F2 | 31.8° | 0.0° |
| O1 | C18 | C19 | N5 | 179.8° | 180.0° |
| O1 | C18 | N5 | C14 | 0.1° | 0.0° |
| O1 | C18 | N5 | C17 | 179.9° | 179.9° |
| O1 | C18 | C19 | H15 | 88.3° | 120.0° |
| O1 | C18 | C19 | H16 | 151.9° | 120.0° |
| C28 | C20 | O3 | C21 | 13.9° | 0.5° |
| F2 | C19 | C18 | H15 | 120.1° | 120.0° |
| F2 | C19 | C18 | H16 | 120.1° | 120.0° |
| F2 | C19 | C18 | N5 | 148.4° | 180.0° |
| F2 | C19 | H15 | H16 | 119.7° | 120.0° |
| N4 | C13 | O2 | C14 | 179.8° | 180.0° |
| N4 | C13 | C14 | N5 | 139.9° | 161.5° |
| N4 | C13 | C14 | C15 | 99.5° | 80.7° |
| N4 | C13 | C14 | H8 | 19.2° | 40.5° |
| C20 | O3 | C21 | C22 | 150.1° | 180.0° |
| C20 | O3 | C21 | H17 | 29.7° | 60.0° |
| C20 | O3 | C21 | H18 | 89.5° | 59.9° |
| O3 | C20 | C28 | H32 | 0.3° | 0.6° |
| C19 | C18 | N5 | C14 | 180.0° | 180.0° |
| C19 | C18 | N5 | C17 | 0.3° | 0.0° |
| C18 | C19 | H15 | H16 | 119.7° | 120.0° |
| C18 | N5 | C14 | C13 | 48.7° | 59.5° |
| C18 | N5 | C14 | C17 | 179.8° | 180.0° |
| C18 | N5 | C14 | C15 | 167.8° | 178.9° |
| C18 | N5 | C17 | C16 | 157.3° | 155.8° |
| C18 | N5 | C14 | H8 | 71.2° | 61.5° |
| C18 | N5 | C17 | H13 | 37.8° | 85.4° |
| C18 | N5 | C17 | H14 | 83.1° | 37.0° |
| N5 | C18 | C19 | H15 | 91.6° | 60.0° |
| N5 | C18 | C19 | H16 | 28.2° | 59.9° |
| O2 | C13 | C14 | N5 | 40.3° | 18.6° |
| O2 | C13 | C14 | C15 | 80.3° | 99.3° |
| O2 | C13 | N4 | H7 | 179.6° | 175.3° |
| O2 | C13 | C14 | H8 | 161.1° | 139.6° |
| C13 | C14 | N5 | C15 | 119.1° | 119.5° |
| C13 | C14 | N5 | H8 | 119.9° | 121.0° |
| C13 | C14 | C15 | H8 | 118.2° | 121.0° |
| C13 | C14 | N5 | C17 | 131.5° | 120.5° |
| C13 | C14 | C15 | C16 | 117.4° | 97.3° |
| C14 | C13 | N4 | H7 | 0.6° | 4.6° |
| C13 | C14 | C15 | H9 | 123.4° | 144.4° |
| C13 | C14 | C15 | H10 | 1.9° | 21.0° |
| N5 | C14 | C15 | H8 | 121.4° | 119.5° |
| N5 | C14 | C15 | C16 | 3.0° | 22.2° |
| C14 | N5 | C17 | C16 | 22.8° | 24.1° |
| N5 | C14 | C15 | H9 | 116.2° | 96.2° |
| N5 | C14 | C15 | H10 | 122.3° | 140.5° |
| C14 | N5 | C17 | H13 | 142.3° | 94.6° |
| C14 | N5 | C17 | H14 | 96.7° | 143.0° |
| C15 | C14 | N5 | C17 | 12.3° | 1.1° |
| C14 | C15 | C16 | H9 | 119.3° | 118.3° |
| C14 | C15 | C16 | H10 | 119.2° | 118.3° |
| C14 | C15 | C16 | C17 | 16.5° | 35.5° |
| C14 | C15 | H9 | H10 | 122.2° | 123.3° |
| C14 | C15 | C16 | H11 | 135.8° | 153.6° |
| C14 | C15 | C16 | H12 | 102.8° | 82.6° |
| O3 | C21 | C22 | H17 | 120.4° | 120.0° |
| O3 | C21 | C22 | H18 | 120.4° | 120.1° |
| O3 | C21 | C22 | C23 | 56.5° | 180.0° |
| O3 | C21 | H17 | H18 | 118.7° | 120.0° |
| O3 | C21 | C22 | H19 | 64.1° | 60.0° |
| O3 | C21 | C22 | H20 | 177.1° | 60.0° |
| N5 | C17 | C16 | C15 | 24.3° | 37.0° |
| N5 | C17 | C16 | H13 | 119.5° | 118.8° |
| N5 | C17 | C16 | H14 | 119.5° | 118.9° |
| C17 | N5 | C14 | H8 | 108.6° | 118.5° |
| N5 | C17 | C16 | H11 | 143.6° | 155.1° |
| N5 | C17 | C16 | H12 | 95.0° | 81.0° |
| N5 | C17 | H13 | H14 | 121.4° | 122.4° |
| C21 | C22 | C23 | H19 | 120.6° | 120.0° |
| C21 | C22 | C23 | H20 | 120.6° | 120.0° |
| C21 | C22 | C23 | N6 | 79.6° | 180.0° |
| C22 | C21 | H17 | H18 | 118.8° | 119.9° |
| C21 | C22 | H19 | H20 | 118.1° | 119.9° |
| C21 | C22 | C23 | H21 | 40.8° | 60.0° |
| C21 | C22 | C23 | H22 | 160.0° | 60.0° |
| C15 | C16 | C17 | H11 | 119.3° | 118.0° |
| C15 | C16 | C17 | H12 | 119.3° | 118.1° |
| C16 | C15 | C14 | H8 | 124.4° | 141.7° |
| C16 | C15 | H9 | H10 | 122.2° | 123.3° |
| C15 | C16 | H11 | H12 | 122.1° | 123.9° |
| C15 | C16 | C17 | H13 | 143.8° | 81.8° |
| C15 | C16 | C17 | H14 | 95.3° | 156.0° |
| C17 | C16 | C15 | H9 | 102.7° | 82.8° |
| C17 | C16 | C15 | H10 | 135.8° | 153.8° |
| C17 | C16 | H11 | H12 | 122.1° | 124.0° |
| C16 | C17 | H13 | H14 | 121.4° | 122.2° |
| C22 | C23 | N6 | H21 | 120.4° | 120.1° |
| C22 | C23 | N6 | H22 | 120.4° | 120.0° |
| C22 | C23 | N6 | C27 | 160.2° | 170.0° |
| C22 | C23 | N6 | C24 | 70.3° | 66.4° |
| C23 | C22 | C21 | H17 | 176.9° | 59.9° |
| C23 | C22 | C21 | H18 | 63.9° | 59.9° |
| C23 | C22 | H19 | H20 | 118.1° | 120.0° |
| C22 | C23 | H21 | H22 | 118.8° | 120.0° |
| C23 | N6 | C27 | C24 | 129.3° | 123.8° |
| C23 | N6 | C27 | C26 | 76.8° | 177.6° |
| C23 | N6 | C24 | C25 | 79.7° | 177.6° |
| N6 | C23 | C22 | H19 | 159.8° | 60.0° |
| N6 | C23 | C22 | H20 | 41.1° | 60.0° |
| N6 | C23 | H21 | H22 | 118.8° | 119.9° |
| C23 | N6 | C24 | H24 | 41.0° | 62.4° |
| C23 | N6 | C24 | H25 | 159.5° | 57.6° |
| C23 | N6 | C27 | H30 | 162.4° | 57.7° |
| C23 | N6 | C27 | H31 | 43.9° | 62.4° |
| N6 | C27 | C26 | H30 | 120.7° | 119.9° |
| N6 | C27 | C26 | H31 | 120.7° | 119.9° |
| C27 | N6 | C24 | C25 | 48.5° | 58.6° |
| N6 | C27 | C26 | O4 | 51.8° | 56.9° |
| C27 | N6 | C23 | H21 | 39.8° | 50.0° |
| C27 | N6 | C23 | H22 | 79.4° | 70.0° |
| C27 | N6 | C24 | H24 | 169.3° | 61.4° |
| C27 | N6 | C24 | H25 | 72.3° | 178.6° |
| N6 | C27 | C26 | H28 | 171.9° | 176.8° |
| N6 | C27 | C26 | H29 | 68.4° | 63.1° |
| N6 | C27 | H30 | H31 | 117.7° | 120.0° |
| C24 | N6 | C27 | C26 | 52.5° | 58.6° |
| N6 | C24 | C25 | H24 | 120.8° | 119.9° |
| N6 | C24 | C25 | H25 | 120.8° | 119.9° |
| N6 | C24 | C25 | O4 | 44.0° | 56.9° |
| C24 | N6 | C23 | H21 | 169.3° | 173.6° |
| C24 | N6 | C23 | H22 | 50.1° | 53.6° |
| N6 | C24 | H24 | H25 | 117.5° | 120.0° |
| N6 | C24 | C25 | H26 | 76.4° | 176.8° |
| N6 | C24 | C25 | H27 | 164.5° | 63.1° |
| C24 | N6 | C27 | H30 | 68.2° | 178.5° |
| C24 | N6 | C27 | H31 | 173.2° | 61.4° |
| C27 | C26 | O4 | H28 | 120.2° | 120.0° |
| C27 | C26 | O4 | H29 | 120.2° | 120.0° |
| C27 | C26 | O4 | C25 | 47.9° | 58.7° |
| C27 | C26 | H28 | H29 | 119.4° | 120.2° |
| C26 | C27 | H30 | H31 | 117.7° | 120.2° |
| C24 | C25 | O4 | C26 | 44.9° | 58.7° |
| C24 | C25 | O4 | H26 | 120.5° | 119.9° |
| C24 | C25 | O4 | H27 | 120.4° | 120.0° |
| C25 | C24 | H24 | H25 | 117.6° | 120.2° |
| C24 | C25 | H26 | H27 | 118.6° | 120.1° |
| C26 | O4 | C25 | H26 | 75.5° | 178.6° |
| C26 | O4 | C25 | H27 | 165.4° | 61.3° |
| O4 | C26 | H28 | H29 | 119.5° | 120.0° |
| O4 | C26 | C27 | H30 | 69.0° | 176.8° |
| O4 | C26 | C27 | H31 | 172.5° | 63.1° |
| O4 | C25 | C24 | H24 | 164.8° | 63.1° |
| O4 | C25 | C24 | H25 | 76.7° | 176.8° |
| O4 | C25 | H26 | H27 | 118.7° | 120.1° |
| C25 | O4 | C26 | H28 | 168.1° | 178.6° |
| C25 | O4 | C26 | H29 | 72.2° | 61.3° |
| H1 | C2 | C3 | H2 | 0.1° | 0.0° |
| H8 | C14 | C15 | H9 | 5.1° | 23.3° |
| H8 | C14 | C15 | H10 | 116.4° | 100.0° |
| H9 | C15 | C16 | H11 | 16.6° | 35.2° |
| H9 | C15 | C16 | H12 | 137.9° | 159.1° |
| H10 | C15 | C16 | H11 | 104.9° | 88.1° |
| H10 | C15 | C16 | H12 | 16.4° | 35.7° |
| H11 | C16 | C17 | H13 | 96.9° | 36.3° |
| H11 | C16 | C17 | H14 | 24.0° | 86.0° |
| H12 | C16 | C17 | H13 | 24.5° | 160.1° |
| H12 | C16 | C17 | H14 | 145.4° | 37.9° |
| H17 | C21 | C22 | H19 | 56.3° | 180.0° |
| H17 | C21 | C22 | H20 | 62.5° | 60.1° |
| H18 | C21 | C22 | H19 | 175.4° | 60.1° |
| H18 | C21 | C22 | H20 | 56.7° | 180.0° |
| H19 | C22 | C23 | H21 | 79.8° | 180.0° |
| H19 | C22 | C23 | H22 | 39.4° | 60.0° |
| H20 | C22 | C23 | H21 | 161.5° | 60.0° |
| H20 | C22 | C23 | H22 | 79.4° | 180.0° |
| H24 | C24 | C25 | H26 | 44.4° | 56.9° |
| H24 | C24 | C25 | H27 | 74.7° | 177.0° |
| H25 | C24 | C25 | H26 | 162.8° | 63.3° |
| H25 | C24 | C25 | H27 | 43.7° | 56.8° |
| H28 | C26 | C27 | H30 | 51.2° | 63.3° |
| H28 | C26 | C27 | H31 | 67.4° | 56.8° |
| H29 | C26 | C27 | H30 | 170.8° | 56.8° |
| H29 | C26 | C27 | H31 | 52.3° | 177.0° |
