OQ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C22 | sing | 1.33Å | 1.34Å | Aromatic |
| F | C7 | sing | 1.40Å | 1.32Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C7 | sing | 1.40Å | 1.33Å | |
| N5 | C22 | sing | 1.38Å | 1.34Å | |
| N5 | C23 | sing | 1.47Å | 1.46Å | |
| C7 | F2 | sing | 1.40Å | 1.32Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C22 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C26 | C23 | sing | 1.55Å | 1.50Å | |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.52Å | |
| C24 | N6 | sing | 1.47Å | 1.46Å | |
| N4 | C19 | sing | 1.33Å | 1.33Å | Aromatic |
| C25 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C27 | sing | 1.35Å | 1.35Å | |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | O | sing | 1.35Å | 1.37Å | |
| O2 | C12 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | O1 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.50Å | |
| C12 | N2 | sing | 1.35Å | 1.36Å | |
| O | C17 | sing | 1.36Å | 1.39Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.42Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C3 | C | sing | 1.53Å | 1.51Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C16 | C30 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C | N | sing | 1.47Å | 1.48Å | |
| N | C1 | sing | 1.47Å | 1.48Å | |
| N | C31 | sing | 1.47Å | 1.49Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N3 | C22 | 115.4° | 120.9° |
| N3 | C21 | C20 | 124.1° | 119.3° |
| N3 | C21 | H28 | 117.9° | 120.3° |
| N3 | C22 | N5 | 117.0° | 119.2° |
| N3 | C22 | N4 | 126.6° | 121.6° |
| F | C7 | F1 | 105.8° | 109.5° |
| F | C7 | F2 | 105.3° | 109.5° |
| F | C7 | C6 | 113.2° | 109.5° |
| C21 | C20 | C19 | 114.3° | 118.5° |
| C20 | C21 | H28 | 118.0° | 120.4° |
| C21 | C20 | H29 | 122.9° | 120.7° |
| F1 | C7 | F2 | 106.5° | 109.5° |
| F1 | C7 | C6 | 112.6° | 109.5° |
| C22 | N5 | C23 | 123.2° | 120.0° |
| N5 | C22 | N4 | 116.3° | 119.2° |
| C22 | N5 | H30 | 105.9° | 120.0° |
| N5 | C23 | C26 | 114.1° | 110.9° |
| N5 | C23 | C24 | 110.0° | 111.0° |
| C23 | N5 | H30 | 105.9° | 120.0° |
| N5 | C23 | H31 | 110.6° | 110.9° |
| F2 | C7 | C6 | 112.8° | 109.4° |
| C7 | C6 | C11 | 117.7° | 120.0° |
| C7 | C6 | C5 | 123.1° | 120.0° |
| C22 | N4 | C19 | 115.3° | 120.6° |
| C23 | C26 | C25 | 102.5° | 102.9° |
| C26 | C23 | C24 | 101.8° | 101.6° |
| C26 | C23 | H31 | 110.1° | 111.0° |
| C23 | C26 | H32 | 111.2° | 110.8° |
| C23 | C26 | H33 | 111.2° | 110.7° |
| C26 | C25 | N6 | 103.3° | 107.2° |
| C25 | C26 | H32 | 111.2° | 110.7° |
| C25 | C26 | H33 | 111.2° | 110.7° |
| C26 | C25 | H34 | 111.0° | 109.9° |
| C26 | C25 | H35 | 111.0° | 109.9° |
| C20 | C19 | N4 | 124.3° | 119.1° |
| C20 | C19 | O | 118.4° | 120.5° |
| C19 | C20 | H29 | 122.8° | 120.8° |
| C23 | C24 | N6 | 101.3° | 104.8° |
| C24 | C23 | H31 | 109.9° | 111.0° |
| C23 | C24 | H36 | 111.5° | 110.3° |
| C23 | C24 | H37 | 111.5° | 110.4° |
| C24 | N6 | C25 | 110.7° | 108.7° |
| C24 | N6 | C27 | 130.1° | 125.7° |
| N6 | C24 | H36 | 111.5° | 110.3° |
| N6 | C24 | H37 | 111.5° | 110.4° |
| N4 | C19 | O | 117.3° | 120.4° |
| C25 | N6 | C27 | 119.2° | 125.6° |
| N6 | C25 | H34 | 111.0° | 109.9° |
| N6 | C25 | H35 | 111.0° | 109.9° |
| N6 | C27 | C28 | 118.1° | 120.0° |
| N6 | C27 | O1 | 121.7° | 120.0° |
| C11 | C6 | C5 | 119.2° | 120.0° |
| C6 | C11 | C10 | 121.3° | 120.0° |
| C6 | C11 | H7 | 119.4° | 120.0° |
| C6 | C5 | C4 | 121.8° | 119.9° |
| C6 | C5 | C8 | 118.9° | 120.1° |
| C19 | O | C17 | 122.9° | 118.1° |
| O2 | C12 | C13 | 120.0° | 120.0° |
| O2 | C12 | N2 | 122.9° | 120.0° |
| C11 | C10 | N2 | 122.8° | 120.1° |
| C11 | C10 | C9 | 119.1° | 119.8° |
| C10 | C11 | H7 | 119.3° | 120.0° |
| C28 | C27 | O1 | 120.2° | 120.0° |
| C27 | C28 | C29 | 113.6° | 109.5° |
| C27 | C28 | H38 | 108.5° | 109.5° |
| C27 | C28 | H39 | 108.4° | 109.5° |
| C29 | C28 | H38 | 108.4° | 109.5° |
| C29 | C28 | H39 | 108.4° | 109.4° |
| C28 | C29 | H40 | 109.5° | 109.5° |
| C28 | C29 | H41 | 109.5° | 109.5° |
| C28 | C29 | H42 | 109.5° | 109.5° |
| C5 | C4 | N1 | 113.2° | 109.5° |
| C4 | C5 | C8 | 119.3° | 119.9° |
| C5 | C4 | H1 | 108.5° | 109.5° |
| C5 | C4 | H2 | 108.6° | 109.5° |
| C4 | N1 | C3 | 110.4° | 111.0° |
| C4 | N1 | C2 | 111.7° | 111.0° |
| N1 | C4 | H1 | 108.5° | 109.5° |
| N1 | C4 | H2 | 108.5° | 109.5° |
| C5 | C8 | C9 | 121.4° | 120.1° |
| C5 | C8 | H4 | 119.3° | 120.0° |
| C13 | C12 | N2 | 117.0° | 120.0° |
| C12 | C13 | C18 | 114.6° | 120.1° |
| C12 | C13 | C14 | 126.4° | 120.1° |
| C12 | N2 | C10 | 127.3° | 120.0° |
| C12 | N2 | H5 | 116.4° | 120.0° |
| O | C17 | C18 | 118.4° | 120.0° |
| O | C17 | C16 | 120.3° | 120.0° |
| C17 | C18 | C13 | 120.2° | 119.8° |
| C18 | C17 | C16 | 121.3° | 120.0° |
| C17 | C18 | H24 | 119.9° | 120.1° |
| C18 | C13 | C14 | 119.0° | 119.7° |
| C13 | C18 | H24 | 119.9° | 120.1° |
| N2 | C10 | C9 | 117.8° | 120.1° |
| C10 | N2 | H5 | 116.3° | 120.0° |
| C10 | C9 | C8 | 120.0° | 119.9° |
| C10 | C9 | H6 | 120.0° | 120.1° |
| C17 | C16 | C30 | 121.3° | 119.9° |
| C17 | C16 | C15 | 117.7° | 120.2° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | H8 | 119.9° | 120.0° |
| N1 | C3 | C | 110.5° | 109.3° |
| C3 | N1 | C2 | 108.2° | 110.9° |
| N1 | C3 | H20 | 109.2° | 109.5° |
| N1 | C3 | H21 | 109.2° | 109.5° |
| C3 | C | N | 111.2° | 109.4° |
| C | C3 | H20 | 109.2° | 109.5° |
| C | C3 | H21 | 109.2° | 109.5° |
| C3 | C | H22 | 109.0° | 109.5° |
| C3 | C | H23 | 109.1° | 109.5° |
| N1 | C2 | C1 | 110.1° | 109.4° |
| N1 | C2 | H10 | 109.3° | 109.5° |
| N1 | C2 | H11 | 109.3° | 109.5° |
| C9 | C8 | H4 | 119.3° | 119.9° |
| C8 | C9 | H6 | 120.0° | 120.0° |
| C2 | C1 | N | 110.9° | 109.3° |
| C1 | C2 | H10 | 109.3° | 109.5° |
| C1 | C2 | H11 | 109.3° | 109.5° |
| C2 | C1 | H12 | 109.1° | 109.5° |
| C2 | C1 | H13 | 109.1° | 109.5° |
| C30 | C16 | C15 | 120.8° | 119.9° |
| C16 | C30 | H25 | 109.5° | 109.5° |
| C16 | C30 | H26 | 109.5° | 109.5° |
| C16 | C30 | H27 | 109.5° | 109.4° |
| C16 | C15 | C14 | 121.5° | 120.2° |
| C16 | C15 | H9 | 119.2° | 119.9° |
| C15 | C14 | H8 | 119.9° | 120.0° |
| C14 | C15 | H9 | 119.2° | 119.9° |
| C | N | C1 | 110.1° | 110.9° |
| C | N | C31 | 110.3° | 111.0° |
| N | C | H22 | 109.0° | 109.5° |
| N | C | H23 | 109.0° | 109.6° |
| C1 | N | C31 | 109.9° | 111.0° |
| N | C1 | H12 | 109.1° | 109.5° |
| N | C1 | H13 | 109.1° | 109.5° |
| N | C31 | C32 | 115.1° | 109.5° |
| N | C31 | H15 | 108.1° | 109.5° |
| N | C31 | H16 | 108.0° | 109.5° |
| C32 | C31 | H15 | 108.0° | 109.5° |
| C32 | C31 | H16 | 108.0° | 109.5° |
| C31 | C32 | H17 | 109.5° | 109.5° |
| C31 | C32 | H18 | 109.5° | 109.4° |
| C31 | C32 | H19 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H17 | C32 | H18 | 109.4° | 109.5° |
| H17 | C32 | H19 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.5° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H27 | 109.4° | 109.4° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 110.8° |
| H34 | C25 | H35 | 109.5° | 110.0° |
| H36 | C24 | H37 | 109.5° | 110.4° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H40 | C29 | H42 | 109.5° | 109.5° |
| H41 | C29 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C21 | C20 | H28 | 180.0° | 180.0° |
| C21 | N3 | C22 | N5 | 173.8° | 180.0° |
| C21 | N3 | C22 | N4 | 3.2° | 0.1° |
| N3 | C21 | C20 | C19 | 0.6° | 0.0° |
| N3 | C21 | C20 | H29 | 179.4° | 180.0° |
| C22 | N3 | C21 | C20 | 1.8° | 0.0° |
| N3 | C22 | N5 | N4 | 177.3° | 179.9° |
| N3 | C22 | N5 | C23 | 178.5° | 0.1° |
| N3 | C22 | N4 | C19 | 1.9° | 0.1° |
| C22 | N3 | C21 | H28 | 178.2° | 180.0° |
| N3 | C22 | N5 | H30 | 59.7° | 180.0° |
| F | C7 | F1 | F2 | 111.8° | 120.0° |
| F | C7 | F1 | C6 | 124.1° | 120.0° |
| F | C7 | F2 | C6 | 123.9° | 120.0° |
| F | C7 | C6 | C11 | 6.8° | 115.4° |
| F | C7 | C6 | C5 | 170.5° | 64.6° |
| C21 | C20 | C19 | H29 | 180.0° | 180.0° |
| C21 | C20 | C19 | N4 | 2.0° | 0.0° |
| C21 | C20 | C19 | O | 175.2° | 180.0° |
| F1 | C7 | F2 | C6 | 124.0° | 120.0° |
| F1 | C7 | C6 | C11 | 126.8° | 124.6° |
| F1 | C7 | C6 | C5 | 50.6° | 55.4° |
| C22 | N5 | C23 | H30 | 121.9° | 179.9° |
| C22 | N5 | C23 | C26 | 168.7° | 89.7° |
| C22 | N5 | C23 | C24 | 77.7° | 158.1° |
| N5 | C22 | N4 | C19 | 175.1° | 180.0° |
| C22 | N5 | C23 | H31 | 43.9° | 34.2° |
| C23 | N5 | C22 | N4 | 1.2° | 180.0° |
| N5 | C23 | C26 | C24 | 118.4° | 118.1° |
| N5 | C23 | C26 | H31 | 125.1° | 123.8° |
| N5 | C23 | C26 | C25 | 162.6° | 153.6° |
| N5 | C23 | C24 | H31 | 122.0° | 123.9° |
| N5 | C23 | C24 | N6 | 162.7° | 155.0° |
| N5 | C23 | C26 | H32 | 78.6° | 88.1° |
| N5 | C23 | C26 | H33 | 43.7° | 35.2° |
| N5 | C23 | C24 | H36 | 44.1° | 36.2° |
| N5 | C23 | C24 | H37 | 78.6° | 86.1° |
| F2 | C7 | C6 | C11 | 112.7° | 4.6° |
| F2 | C7 | C6 | C5 | 70.0° | 175.4° |
| C7 | C6 | C11 | C5 | 177.4° | 180.0° |
| C7 | C6 | C11 | C10 | 177.7° | 179.9° |
| C7 | C6 | C5 | C4 | 3.2° | 0.0° |
| C7 | C6 | C5 | C8 | 176.6° | 179.7° |
| C7 | C6 | C11 | H7 | 2.3° | 0.0° |
| C22 | N4 | C19 | C20 | 0.9° | 0.0° |
| C22 | N4 | C19 | O | 176.4° | 180.0° |
| N4 | C22 | N5 | H30 | 123.1° | 0.1° |
| C23 | C26 | C25 | H32 | 118.9° | 118.4° |
| C23 | C26 | C25 | H33 | 118.9° | 118.4° |
| C26 | C23 | C24 | H31 | 116.7° | 118.1° |
| C26 | C23 | C24 | N6 | 41.4° | 37.0° |
| C23 | C26 | C25 | N6 | 29.3° | 22.2° |
| C26 | C23 | N5 | H30 | 46.8° | 90.5° |
| C23 | C26 | H32 | H33 | 123.3° | 123.3° |
| C23 | C26 | C25 | H34 | 89.6° | 97.2° |
| C23 | C26 | C25 | H35 | 148.4° | 141.6° |
| C26 | C23 | C24 | H36 | 77.2° | 81.8° |
| C26 | C23 | C24 | H37 | 160.1° | 155.9° |
| C25 | C26 | C23 | C24 | 44.1° | 35.5° |
| C26 | C25 | N6 | C24 | 3.2° | 1.0° |
| C26 | C25 | N6 | H34 | 119.0° | 119.5° |
| C26 | C25 | N6 | H35 | 119.0° | 119.4° |
| C26 | C25 | N6 | C27 | 177.2° | 178.9° |
| C25 | C26 | C23 | H31 | 72.4° | 82.6° |
| C25 | C26 | H32 | H33 | 123.2° | 123.2° |
| C26 | C25 | H34 | H35 | 122.9° | 121.1° |
| C20 | C19 | N4 | O | 177.3° | 180.0° |
| C20 | C19 | O | C17 | 8.4° | 175.1° |
| C19 | C20 | C21 | H28 | 179.5° | 180.0° |
| C23 | C24 | N6 | H36 | 118.7° | 118.8° |
| C23 | C24 | N6 | H37 | 118.7° | 118.9° |
| C23 | C24 | N6 | C25 | 23.7° | 24.0° |
| C23 | C24 | N6 | C27 | 155.8° | 155.9° |
| C24 | C23 | N5 | H30 | 160.5° | 21.8° |
| C24 | C23 | C26 | H32 | 163.0° | 153.8° |
| C24 | C23 | C26 | H33 | 74.7° | 82.9° |
| C23 | C24 | H36 | H37 | 123.8° | 122.3° |
| C24 | N6 | C25 | C27 | 179.6° | 179.9° |
| C24 | N6 | C27 | C28 | 3.3° | 179.9° |
| C24 | N6 | C27 | O1 | 177.3° | 0.1° |
| N6 | C24 | C23 | H31 | 75.2° | 81.1° |
| C24 | N6 | C25 | H34 | 115.8° | 120.4° |
| C24 | N6 | C25 | H35 | 122.2° | 118.4° |
| N6 | C24 | H36 | H37 | 123.8° | 122.4° |
| N4 | C19 | O | C17 | 169.1° | 4.9° |
| N4 | C19 | C20 | H29 | 177.9° | 180.0° |
| C25 | N6 | C27 | C28 | 177.3° | 0.0° |
| C25 | N6 | C27 | O1 | 2.1° | 180.0° |
| N6 | C25 | C26 | H32 | 148.2° | 140.6° |
| N6 | C25 | C26 | H33 | 89.5° | 96.2° |
| N6 | C25 | H34 | H35 | 122.9° | 121.1° |
| C25 | N6 | C24 | H36 | 95.0° | 94.7° |
| C25 | N6 | C24 | H37 | 142.4° | 142.9° |
| N6 | C27 | C28 | O1 | 179.4° | 180.0° |
| N6 | C27 | C28 | C29 | 152.3° | 180.0° |
| C27 | N6 | C25 | H34 | 63.8° | 59.5° |
| C27 | N6 | C25 | H35 | 58.2° | 61.7° |
| C27 | N6 | C24 | H36 | 85.5° | 85.3° |
| C27 | N6 | C24 | H37 | 37.1° | 37.0° |
| N6 | C27 | C28 | H38 | 31.7° | 60.0° |
| N6 | C27 | C28 | H39 | 87.0° | 60.0° |
| C6 | C11 | C10 | H7 | 180.0° | 180.0° |
| C11 | C6 | C5 | C4 | 179.5° | 180.0° |
| C11 | C6 | C5 | C8 | 0.7° | 0.3° |
| C6 | C11 | C10 | N2 | 172.9° | 180.0° |
| C6 | C11 | C10 | C9 | 1.1° | 0.2° |
| C5 | C6 | C11 | C10 | 0.3° | 0.1° |
| C6 | C5 | C4 | C8 | 179.8° | 179.7° |
| C6 | C5 | C4 | N1 | 136.5° | 79.3° |
| C6 | C5 | C8 | C9 | 0.9° | 0.2° |
| C6 | C5 | C4 | H1 | 16.0° | 40.8° |
| C6 | C5 | C4 | H2 | 103.0° | 160.7° |
| C6 | C5 | C8 | H4 | 179.1° | 179.7° |
| C5 | C6 | C11 | H7 | 179.7° | 180.0° |
| C19 | O | C17 | C18 | 89.5° | 104.0° |
| C19 | O | C17 | C16 | 90.3° | 76.0° |
| O | C19 | C20 | H29 | 4.8° | 0.0° |
| O2 | C12 | C13 | N2 | 175.7° | 180.0° |
| O2 | C12 | C13 | C18 | 20.5° | 0.3° |
| O2 | C12 | N2 | C10 | 10.4° | 6.1° |
| O2 | C12 | C13 | C14 | 156.7° | 180.0° |
| O2 | C12 | N2 | H5 | 169.6° | 173.9° |
| C11 | C10 | N2 | C12 | 6.1° | 154.0° |
| C11 | C10 | N2 | C9 | 174.1° | 179.8° |
| C11 | C10 | C9 | C8 | 0.9° | 0.2° |
| C11 | C10 | N2 | H5 | 173.9° | 26.0° |
| C11 | C10 | C9 | H6 | 179.1° | 179.7° |
| C27 | C28 | C29 | H38 | 120.6° | 120.1° |
| C27 | C28 | C29 | H39 | 120.6° | 120.0° |
| C27 | C28 | H38 | H39 | 118.1° | 120.0° |
| C27 | C28 | C29 | H40 | 180.0° | 60.0° |
| C27 | C28 | C29 | H41 | 60.0° | 60.0° |
| C27 | C28 | C29 | H42 | 60.0° | 180.0° |
| O1 | C27 | C28 | C29 | 27.1° | 0.0° |
| O1 | C27 | C28 | H38 | 147.7° | 120.0° |
| O1 | C27 | C28 | H39 | 93.6° | 120.0° |
| C29 | C28 | H38 | H39 | 118.1° | 119.9° |
| C28 | C29 | H40 | H41 | 120.0° | 120.0° |
| C28 | C29 | H40 | H42 | 120.0° | 120.0° |
| C28 | C29 | H41 | H42 | 120.0° | 120.0° |
| C5 | C4 | N1 | H1 | 120.5° | 120.0° |
| C5 | C4 | N1 | H2 | 120.6° | 120.0° |
| C5 | C4 | N1 | C3 | 173.0° | 61.6° |
| C5 | C4 | N1 | C2 | 66.6° | 174.6° |
| C4 | C5 | C8 | C9 | 179.3° | 180.0° |
| C5 | C4 | H1 | H2 | 118.3° | 120.0° |
| C4 | C5 | C8 | H4 | 0.7° | 0.0° |
| N1 | C4 | C5 | C8 | 43.7° | 100.5° |
| C4 | N1 | C3 | C2 | 122.5° | 123.9° |
| C4 | N1 | C3 | C | 176.0° | 176.8° |
| C4 | N1 | C2 | C1 | 176.8° | 176.8° |
| N1 | C4 | H1 | H2 | 118.3° | 120.0° |
| C4 | N1 | C2 | H10 | 56.7° | 56.8° |
| C4 | N1 | C2 | H11 | 63.1° | 63.2° |
| C4 | N1 | C3 | H20 | 63.8° | 63.2° |
| C4 | N1 | C3 | H21 | 55.9° | 56.9° |
| C5 | C8 | C9 | C10 | 0.1° | 0.0° |
| C5 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C5 | C4 | H1 | 164.2° | 139.5° |
| C8 | C5 | C4 | H2 | 76.8° | 19.6° |
| C5 | C8 | C9 | H6 | 179.9° | 180.0° |
| C12 | C13 | C18 | C17 | 175.2° | 180.0° |
| C12 | C13 | C18 | C14 | 177.4° | 179.8° |
| C13 | C12 | N2 | C10 | 174.0° | 173.9° |
| C12 | C13 | C14 | C15 | 175.9° | 180.0° |
| C13 | C12 | N2 | H5 | 6.0° | 6.1° |
| C12 | C13 | C14 | H8 | 4.1° | 0.0° |
| C12 | C13 | C18 | H24 | 4.8° | 0.0° |
| N2 | C12 | C13 | C18 | 155.3° | 179.7° |
| C12 | N2 | C10 | H5 | 180.0° | 180.0° |
| C12 | N2 | C10 | C9 | 167.9° | 26.3° |
| N2 | C12 | C13 | C14 | 27.6° | 0.1° |
| O | C17 | C18 | C16 | 179.8° | 180.0° |
| O | C17 | C18 | C13 | 179.0° | 180.0° |
| O | C17 | C16 | C30 | 6.2° | 0.0° |
| O | C17 | C16 | C15 | 178.5° | 179.7° |
| O | C17 | C18 | H24 | 1.0° | 0.0° |
| C17 | C18 | C13 | H24 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 2.2° | 0.2° |
| C18 | C17 | C16 | C30 | 173.6° | 180.0° |
| C18 | C17 | C16 | C15 | 1.6° | 0.3° |
| C13 | C18 | C17 | C16 | 0.8° | 0.0° |
| C18 | C13 | C14 | C15 | 1.1° | 0.2° |
| C18 | C13 | C14 | H8 | 178.9° | 179.7° |
| N2 | C10 | C9 | C8 | 173.4° | 180.0° |
| N2 | C10 | C9 | H6 | 6.6° | 0.0° |
| N2 | C10 | C11 | H7 | 7.1° | 0.0° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | H4 | 179.9° | 180.0° |
| C9 | C10 | N2 | H5 | 12.1° | 153.8° |
| C9 | C10 | C11 | H7 | 178.9° | 179.8° |
| C17 | C16 | C30 | C15 | 175.1° | 179.7° |
| C17 | C16 | C15 | C14 | 2.7° | 0.3° |
| C17 | C16 | C15 | H9 | 177.3° | 179.7° |
| C16 | C17 | C18 | H24 | 179.2° | 180.0° |
| C17 | C16 | C30 | H25 | 92.5° | 90.0° |
| C17 | C16 | C30 | H26 | 147.5° | 150.0° |
| C17 | C16 | C30 | H27 | 27.5° | 30.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | H9 | 178.6° | 180.0° |
| C14 | C13 | C18 | H24 | 177.8° | 179.8° |
| N1 | C3 | C | H20 | 120.2° | 120.0° |
| N1 | C3 | C | H21 | 120.2° | 119.9° |
| C3 | N1 | C2 | C1 | 61.5° | 59.3° |
| N1 | C3 | C | N | 58.7° | 58.4° |
| C3 | N1 | C4 | H1 | 66.4° | 178.4° |
| C3 | N1 | C4 | H2 | 52.5° | 58.4° |
| C3 | N1 | C2 | H10 | 178.4° | 179.3° |
| C3 | N1 | C2 | H11 | 58.6° | 60.7° |
| N1 | C3 | H20 | H21 | 119.6° | 120.1° |
| N1 | C3 | C | H22 | 179.0° | 61.6° |
| N1 | C3 | C | H23 | 61.5° | 178.4° |
| C | C3 | N1 | C2 | 61.5° | 59.3° |
| C3 | C | N | H22 | 120.2° | 120.0° |
| C3 | C | N | H23 | 120.3° | 120.0° |
| C3 | C | N | C1 | 54.1° | 59.3° |
| C3 | C | N | C31 | 175.6° | 176.8° |
| C | C3 | H20 | H21 | 119.5° | 120.1° |
| C3 | C | H22 | H23 | 119.2° | 120.0° |
| N1 | C2 | C1 | H10 | 120.1° | 120.0° |
| N1 | C2 | C1 | H11 | 120.1° | 120.0° |
| N1 | C2 | C1 | N | 58.7° | 58.4° |
| C2 | N1 | C4 | H1 | 54.0° | 54.6° |
| C2 | N1 | C4 | H2 | 172.9° | 65.4° |
| N1 | C2 | H10 | H11 | 119.7° | 120.0° |
| N1 | C2 | C1 | H12 | 61.5° | 61.6° |
| N1 | C2 | C1 | H13 | 178.9° | 178.4° |
| C2 | N1 | C3 | H20 | 58.6° | 60.6° |
| C2 | N1 | C3 | H21 | 178.3° | 179.2° |
| C2 | C1 | N | C | 54.2° | 59.3° |
| C2 | C1 | N | H12 | 120.2° | 120.0° |
| C2 | C1 | N | H13 | 120.2° | 120.0° |
| C2 | C1 | N | C31 | 175.9° | 176.8° |
| C1 | C2 | H10 | H11 | 119.7° | 120.0° |
| C2 | C1 | H12 | H13 | 119.3° | 120.0° |
| C30 | C16 | C15 | C14 | 172.5° | 180.0° |
| C30 | C16 | C15 | H9 | 7.5° | 0.0° |
| C16 | C30 | H25 | H26 | 120.1° | 120.1° |
| C16 | C30 | H25 | H27 | 120.0° | 119.9° |
| C16 | C30 | H26 | H27 | 120.0° | 120.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | H8 | 178.6° | 180.0° |
| C15 | C16 | C30 | H25 | 92.4° | 90.3° |
| C15 | C16 | C30 | H26 | 27.6° | 29.7° |
| C15 | C16 | C30 | H27 | 147.6° | 149.8° |
| C | N | C1 | C31 | 121.8° | 123.9° |
| C | N | C31 | C32 | 41.0° | 66.2° |
| C | N | C1 | H12 | 66.0° | 60.7° |
| C | N | C1 | H13 | 174.4° | 179.3° |
| C | N | C31 | H15 | 79.8° | 53.9° |
| C | N | C31 | H16 | 161.8° | 173.8° |
| N | C | C3 | H20 | 61.5° | 61.6° |
| N | C | C3 | H21 | 178.9° | 178.3° |
| N | C | H22 | H23 | 119.2° | 120.1° |
| C1 | N | C31 | C32 | 162.6° | 170.0° |
| N | C1 | C2 | H10 | 178.8° | 178.4° |
| N | C1 | C2 | H11 | 61.4° | 61.6° |
| N | C1 | H12 | H13 | 119.3° | 120.1° |
| C1 | N | C31 | H15 | 41.8° | 70.0° |
| C1 | N | C31 | H16 | 76.6° | 50.0° |
| C1 | N | C | H22 | 174.4° | 60.6° |
| C1 | N | C | H23 | 66.1° | 179.3° |
| N | C31 | C32 | H15 | 120.8° | 120.1° |
| N | C31 | C32 | H16 | 120.8° | 120.0° |
| C31 | N | C1 | H12 | 55.7° | 63.2° |
| C31 | N | C1 | H13 | 63.9° | 56.8° |
| N | C31 | H15 | H16 | 117.4° | 120.0° |
| N | C31 | C32 | H17 | 180.0° | 60.0° |
| N | C31 | C32 | H18 | 60.0° | 60.0° |
| N | C31 | C32 | H19 | 60.0° | 180.0° |
| C31 | N | C | H22 | 64.1° | 63.3° |
| C31 | N | C | H23 | 55.4° | 56.8° |
| C32 | C31 | H15 | H16 | 117.4° | 120.0° |
| C31 | C32 | H17 | H18 | 120.0° | 119.9° |
| C31 | C32 | H17 | H19 | 120.0° | 120.0° |
| C31 | C32 | H18 | H19 | 120.0° | 120.0° |
| H4 | C8 | C9 | H6 | 0.1° | 0.0° |
| H8 | C14 | C15 | H9 | 1.4° | 0.0° |
| H10 | C2 | C1 | H12 | 58.6° | 58.4° |
| H10 | C2 | C1 | H13 | 61.0° | 61.6° |
| H11 | C2 | C1 | H12 | 178.4° | 178.4° |
| H11 | C2 | C1 | H13 | 58.8° | 58.4° |
| H15 | C31 | C32 | H17 | 59.2° | 179.9° |
| H15 | C31 | C32 | H18 | 179.2° | 60.1° |
| H15 | C31 | C32 | H19 | 60.8° | 59.9° |
| H16 | C31 | C32 | H17 | 59.2° | 60.0° |
| H16 | C31 | C32 | H18 | 60.8° | 180.0° |
| H16 | C31 | C32 | H19 | 179.2° | 60.0° |
| H17 | C32 | H18 | H19 | 120.0° | 120.0° |
| H20 | C3 | C | H22 | 58.8° | 178.5° |
| H20 | C3 | C | H23 | 178.3° | 58.5° |
| H21 | C3 | C | H22 | 60.9° | 58.4° |
| H21 | C3 | C | H23 | 58.6° | 61.7° |
| H25 | C30 | H26 | H27 | 119.9° | 120.0° |
| H28 | C21 | C20 | H29 | 0.6° | 0.0° |
| H30 | N5 | C23 | H31 | 78.0° | 145.7° |
| H31 | C23 | C26 | H32 | 46.5° | 35.7° |
| H31 | C23 | C26 | H33 | 168.8° | 159.0° |
| H31 | C23 | C24 | H36 | 166.1° | 160.1° |
| H31 | C23 | C24 | H37 | 43.4° | 37.8° |
| H32 | C26 | C25 | H34 | 29.3° | 21.1° |
| H32 | C26 | C25 | H35 | 92.7° | 100.0° |
| H33 | C26 | C25 | H34 | 151.5° | 144.4° |
| H33 | C26 | C25 | H35 | 29.5° | 23.2° |
| H38 | C28 | C29 | H40 | 59.4° | 180.0° |
| H38 | C28 | C29 | H41 | 179.4° | 60.1° |
| H38 | C28 | C29 | H42 | 60.7° | 59.9° |
| H39 | C28 | C29 | H40 | 59.4° | 60.0° |
| H39 | C28 | C29 | H41 | 60.6° | 180.0° |
| H39 | C28 | C29 | H42 | 179.4° | 60.0° |
| H40 | C29 | H41 | H42 | 120.0° | 120.0° |
