XQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | sing | 1.47Å | 1.50Å | |
| C7 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| F1 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| O2 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C10 | sing | 1.47Å | 1.43Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C20 | doub | 1.32Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N2 | sing | 1.40Å | 1.42Å | |
| C20 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | N4 | sing | 1.39Å | 1.34Å | |
| C16 | C15 | sing | 1.48Å | 1.47Å | |
| N2 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| N2 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | N5 | doub | 1.31Å | 1.33Å | Aromatic |
| C31 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C21 | sing | 1.41Å | 1.37Å | Aromatic |
| N6 | C24 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.48Å | 1.48Å | |
| C24 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| C1 | O3 | doub | 1.21Å | 1.29Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | C2 | 122.4° | 120.1° |
| O1 | C7 | C6 | 117.0° | 120.2° |
| C7 | O1 | H27 | 109.5° | 114.0° |
| C1 | C2 | C7 | 121.1° | 120.2° |
| C1 | C2 | C3 | 120.8° | 120.2° |
| C2 | C1 | H5 | 117.7° | 120.0° |
| C2 | C1 | O3 | 124.7° | 120.0° |
| C2 | C7 | C6 | 120.5° | 119.7° |
| C7 | C2 | C3 | 118.1° | 119.5° |
| C7 | C6 | F1 | 119.2° | 120.0° |
| C7 | C6 | C5 | 121.2° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | H17 | 119.6° | 120.0° |
| F1 | C6 | C5 | 119.6° | 120.0° |
| C6 | C5 | C4 | 118.3° | 120.5° |
| C6 | C5 | C8 | 120.3° | 119.8° |
| C3 | C4 | C5 | 121.0° | 120.3° |
| C4 | C3 | H17 | 119.6° | 120.1° |
| C3 | C4 | H21 | 119.5° | 119.8° |
| C4 | C5 | C8 | 121.3° | 119.8° |
| C5 | C4 | H21 | 119.5° | 119.8° |
| C5 | C8 | C9 | 104.5° | 109.4° |
| C5 | C8 | H22 | 110.7° | 109.5° |
| C5 | C8 | H23 | 110.7° | 109.5° |
| O2 | C9 | C8 | 121.1° | 120.0° |
| O2 | C9 | N1 | 122.3° | 120.0° |
| C8 | C9 | N1 | 116.4° | 120.0° |
| C9 | C8 | H22 | 110.7° | 109.5° |
| C9 | C8 | H23 | 110.7° | 109.4° |
| C9 | N1 | C10 | 122.0° | 120.0° |
| C9 | N1 | H24 | 119.0° | 120.0° |
| N1 | C10 | C11 | 110.5° | 109.4° |
| N1 | C10 | H1 | 109.2° | 109.5° |
| N1 | C10 | H2 | 109.2° | 109.5° |
| C10 | N1 | H24 | 119.0° | 120.0° |
| C10 | C11 | C12 | 120.4° | 119.9° |
| C10 | C11 | C33 | 120.0° | 119.9° |
| C11 | C10 | H1 | 109.2° | 109.5° |
| C11 | C10 | H2 | 109.2° | 109.5° |
| C11 | C12 | C13 | 120.6° | 120.1° |
| C12 | C11 | C33 | 119.5° | 120.1° |
| C11 | C12 | H3 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.0° | 119.9° |
| C13 | C12 | H3 | 119.7° | 119.9° |
| C12 | C13 | H4 | 120.5° | 120.1° |
| C11 | C33 | C32 | 120.7° | 120.0° |
| C11 | C33 | H20 | 119.7° | 120.0° |
| C13 | C14 | C32 | 121.6° | 119.9° |
| C13 | C14 | N2 | 118.8° | 120.1° |
| C14 | C13 | H4 | 120.5° | 120.0° |
| C33 | C32 | C14 | 118.7° | 120.0° |
| C33 | C32 | H19 | 120.6° | 120.0° |
| C32 | C33 | H20 | 119.7° | 120.0° |
| C18 | C19 | N3 | 123.9° | 121.2° |
| C19 | C18 | C17 | 117.6° | 119.5° |
| C19 | C18 | H9 | 121.2° | 120.3° |
| C18 | C19 | H10 | 118.1° | 119.4° |
| C19 | N3 | C20 | 119.0° | 121.8° |
| N3 | C19 | H10 | 118.0° | 119.4° |
| C18 | C17 | C16 | 120.4° | 118.4° |
| C18 | C17 | H8 | 119.8° | 120.8° |
| C17 | C18 | H9 | 121.2° | 120.3° |
| N3 | C20 | C16 | 120.5° | 120.4° |
| N3 | C20 | N4 | 117.5° | 119.8° |
| C17 | C16 | C20 | 118.6° | 118.8° |
| C17 | C16 | C15 | 120.1° | 120.6° |
| C16 | C17 | H8 | 119.8° | 120.8° |
| C32 | C14 | N2 | 119.5° | 120.1° |
| C14 | C32 | H19 | 120.7° | 120.0° |
| C14 | N2 | C15 | 131.6° | 126.4° |
| C14 | N2 | C31 | 121.7° | 126.4° |
| C16 | C20 | N4 | 122.0° | 119.8° |
| C20 | C16 | C15 | 121.3° | 120.6° |
| C20 | N4 | H25 | 109.5° | 120.0° |
| C20 | N4 | H26 | 109.4° | 120.0° |
| C16 | C15 | N2 | 122.8° | 125.1° |
| C16 | C15 | N5 | 125.0° | 125.1° |
| C15 | N2 | C31 | 106.3° | 107.3° |
| N2 | C15 | N5 | 112.0° | 109.7° |
| N2 | C31 | N6 | 126.7° | 133.6° |
| N2 | C31 | C21 | 107.0° | 106.0° |
| C15 | N5 | C21 | 104.9° | 109.6° |
| N6 | C31 | C21 | 126.3° | 120.4° |
| C31 | N6 | C24 | 116.0° | 121.4° |
| C31 | C21 | N5 | 109.7° | 107.4° |
| C31 | C21 | C22 | 117.8° | 119.1° |
| N6 | C24 | C25 | 115.4° | 119.4° |
| N6 | C24 | C23 | 121.3° | 121.2° |
| N5 | C21 | C22 | 132.5° | 133.5° |
| C29 | C30 | C25 | 120.9° | 119.8° |
| C30 | C29 | C28 | 120.0° | 120.2° |
| C30 | C29 | H16 | 120.0° | 119.9° |
| C29 | C30 | H18 | 119.6° | 120.1° |
| C30 | C25 | C24 | 119.9° | 120.1° |
| C30 | C25 | C26 | 118.4° | 119.7° |
| C25 | C30 | H18 | 119.6° | 120.1° |
| C29 | C28 | C27 | 119.8° | 120.2° |
| C29 | C28 | H15 | 120.1° | 119.9° |
| C28 | C29 | H16 | 120.0° | 119.9° |
| C21 | C22 | C23 | 117.7° | 118.4° |
| C21 | C22 | H11 | 121.1° | 120.8° |
| C25 | C24 | C23 | 123.3° | 119.4° |
| C24 | C25 | C26 | 121.5° | 120.1° |
| C24 | C23 | C22 | 120.8° | 119.6° |
| C24 | C23 | H12 | 119.6° | 120.2° |
| C25 | C26 | C27 | 120.4° | 119.9° |
| C25 | C26 | H13 | 119.8° | 120.1° |
| C28 | C27 | C26 | 120.5° | 120.1° |
| C28 | C27 | H14 | 119.8° | 119.9° |
| C27 | C28 | H15 | 120.1° | 119.9° |
| C23 | C22 | H11 | 121.2° | 120.7° |
| C22 | C23 | H12 | 119.6° | 120.2° |
| C27 | C26 | H13 | 119.8° | 120.0° |
| C26 | C27 | H14 | 119.7° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C1 | O3 | 117.7° | 120.0° |
| H22 | C8 | H23 | 109.5° | 109.5° |
| H25 | N4 | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | C2 | C1 | 0.1° | 0.0° |
| O1 | C7 | C2 | C6 | 179.3° | 179.7° |
| O1 | C7 | C2 | C3 | 179.9° | 179.8° |
| O1 | C7 | C6 | F1 | 0.7° | 0.0° |
| O1 | C7 | C6 | C5 | 179.3° | 179.8° |
| C1 | C2 | C7 | C3 | 179.8° | 179.7° |
| C1 | C2 | C7 | C6 | 179.2° | 179.8° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C2 | C1 | H5 | O3 | 180.0° | 179.9° |
| C1 | C2 | C3 | H17 | 0.7° | 0.1° |
| C2 | C7 | C6 | F1 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 1.4° | 0.5° |
| C7 | C2 | C3 | C4 | 0.6° | 0.3° |
| C7 | C2 | C1 | H5 | 160.3° | 179.8° |
| C7 | C2 | C3 | H17 | 179.5° | 179.8° |
| C2 | C7 | O1 | H27 | 7.3° | 90.0° |
| C7 | C2 | C1 | O3 | 19.7° | 0.3° |
| C6 | C7 | C2 | C3 | 0.6° | 0.5° |
| C7 | C6 | F1 | C5 | 178.7° | 179.8° |
| C7 | C6 | C5 | C4 | 2.1° | 0.2° |
| C7 | C6 | C5 | C8 | 179.1° | 179.7° |
| C6 | C7 | O1 | H27 | 173.4° | 89.8° |
| C2 | C3 | C4 | H17 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C3 | C2 | C1 | H5 | 19.5° | 0.1° |
| C2 | C3 | C4 | H21 | 178.7° | 180.0° |
| C3 | C2 | C1 | O3 | 160.5° | 179.9° |
| F1 | C6 | C5 | C4 | 179.3° | 180.0° |
| F1 | C6 | C5 | C8 | 2.3° | 0.1° |
| C6 | C5 | C4 | C3 | 2.1° | 0.0° |
| C6 | C5 | C4 | C8 | 177.0° | 180.0° |
| C6 | C5 | C8 | C9 | 77.2° | 85.0° |
| C6 | C5 | C4 | H21 | 177.9° | 180.0° |
| C6 | C5 | C8 | H22 | 42.0° | 155.0° |
| C6 | C5 | C8 | H23 | 163.6° | 35.0° |
| C3 | C4 | C5 | H21 | 180.0° | 180.0° |
| C3 | C4 | C5 | C8 | 179.0° | 179.9° |
| C4 | C5 | C8 | C9 | 99.7° | 95.0° |
| C5 | C4 | C3 | H17 | 178.7° | 180.0° |
| C4 | C5 | C8 | H22 | 141.1° | 25.0° |
| C4 | C5 | C8 | H23 | 19.5° | 145.0° |
| C5 | C8 | C9 | O2 | 30.3° | 0.0° |
| C5 | C8 | C9 | H22 | 119.2° | 120.0° |
| C5 | C8 | C9 | H23 | 119.2° | 120.0° |
| C5 | C8 | C9 | N1 | 145.9° | 180.0° |
| C8 | C5 | C4 | H21 | 1.0° | 0.0° |
| C5 | C8 | H22 | H23 | 122.3° | 120.1° |
| O2 | C9 | C8 | N1 | 176.1° | 180.0° |
| O2 | C9 | N1 | C10 | 16.9° | 0.0° |
| O2 | C9 | C8 | H22 | 149.5° | 120.0° |
| O2 | C9 | C8 | H23 | 88.9° | 120.0° |
| O2 | C9 | N1 | H24 | 163.1° | 180.0° |
| C8 | C9 | N1 | C10 | 167.0° | 180.0° |
| C9 | C8 | H22 | H23 | 122.3° | 120.0° |
| C8 | C9 | N1 | H24 | 13.0° | 0.0° |
| C9 | N1 | C10 | H24 | 180.0° | 180.0° |
| C9 | N1 | C10 | C11 | 125.2° | 180.0° |
| C9 | N1 | C10 | H1 | 5.0° | 60.0° |
| C9 | N1 | C10 | H2 | 114.7° | 60.0° |
| N1 | C9 | C8 | H22 | 26.7° | 60.0° |
| N1 | C9 | C8 | H23 | 94.9° | 60.0° |
| N1 | C10 | C11 | H1 | 120.2° | 120.0° |
| N1 | C10 | C11 | H2 | 120.1° | 120.0° |
| N1 | C10 | C11 | C12 | 98.6° | 89.7° |
| N1 | C10 | C11 | C33 | 79.9° | 90.0° |
| N1 | C10 | H1 | H2 | 119.5° | 120.0° |
| C10 | C11 | C12 | C33 | 178.5° | 179.7° |
| C10 | C11 | C12 | C13 | 179.8° | 179.9° |
| C10 | C11 | C33 | C32 | 179.6° | 179.7° |
| C11 | C10 | H1 | H2 | 119.5° | 120.0° |
| C10 | C11 | C12 | H3 | 0.2° | 0.0° |
| C10 | C11 | C33 | H20 | 0.3° | 0.0° |
| C11 | C10 | N1 | H24 | 54.8° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C12 | C11 | C33 | C32 | 1.2° | 0.6° |
| C12 | C11 | C10 | H1 | 141.2° | 30.3° |
| C12 | C11 | C10 | H2 | 21.5° | 150.3° |
| C11 | C12 | C13 | H4 | 179.3° | 179.9° |
| C12 | C11 | C33 | H20 | 178.8° | 179.7° |
| C13 | C12 | C11 | C33 | 1.3° | 0.3° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | C32 | 0.1° | 0.0° |
| C12 | C13 | C14 | N2 | 178.0° | 180.0° |
| C11 | C33 | C32 | H20 | 180.0° | 179.7° |
| C11 | C33 | C32 | C14 | 0.4° | 0.5° |
| C33 | C11 | C10 | H1 | 40.3° | 150.0° |
| C33 | C11 | C10 | H2 | 160.0° | 30.0° |
| C33 | C11 | C12 | H3 | 178.7° | 179.7° |
| C11 | C33 | C32 | H19 | 179.6° | 179.7° |
| C13 | C14 | C32 | C33 | 0.3° | 0.2° |
| C13 | C14 | C32 | N2 | 177.9° | 180.0° |
| C13 | C14 | N2 | C15 | 44.9° | 113.3° |
| C13 | C14 | N2 | C31 | 127.4° | 66.7° |
| C14 | C13 | C12 | H3 | 179.4° | 180.0° |
| C13 | C14 | C32 | H19 | 179.7° | 180.0° |
| C33 | C32 | C14 | H19 | 180.0° | 179.8° |
| C33 | C32 | C14 | N2 | 178.1° | 179.8° |
| C18 | C19 | N3 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | H9 | 180.0° | 180.0° |
| C18 | C19 | N3 | C20 | 0.7° | 0.3° |
| C19 | C18 | C17 | C16 | 1.0° | 0.0° |
| C19 | C18 | C17 | H8 | 178.9° | 180.0° |
| N3 | C19 | C18 | C17 | 1.0° | 0.0° |
| C19 | N3 | C20 | C16 | 0.4° | 0.6° |
| C19 | N3 | C20 | N4 | 179.8° | 179.8° |
| N3 | C19 | C18 | H9 | 179.0° | 180.0° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | C20 | 0.8° | 0.3° |
| C18 | C17 | C16 | C15 | 179.4° | 179.9° |
| C17 | C18 | C19 | H10 | 179.0° | 180.0° |
| N3 | C20 | C16 | C17 | 0.5° | 0.6° |
| N3 | C20 | C16 | N4 | 179.4° | 179.7° |
| N3 | C20 | C16 | C15 | 179.7° | 179.8° |
| C20 | N3 | C19 | H10 | 179.3° | 179.7° |
| N3 | C20 | N4 | H25 | 0.0° | 175.3° |
| N3 | C20 | N4 | H26 | 120.0° | 4.7° |
| C17 | C16 | C20 | C15 | 179.8° | 179.7° |
| C17 | C16 | C20 | N4 | 179.9° | 179.8° |
| C17 | C16 | C15 | N2 | 36.5° | 47.8° |
| C17 | C16 | C15 | N5 | 138.5° | 131.8° |
| C16 | C17 | C18 | H9 | 178.9° | 180.0° |
| C32 | C14 | N2 | C15 | 137.2° | 66.7° |
| C32 | C14 | N2 | C31 | 50.6° | 113.3° |
| C32 | C14 | C13 | H4 | 179.9° | 180.0° |
| C14 | C32 | C33 | H20 | 179.6° | 179.8° |
| C14 | N2 | C15 | C16 | 8.2° | 0.3° |
| C14 | N2 | C15 | C31 | 173.1° | 180.0° |
| C14 | N2 | C15 | N5 | 176.3° | 180.0° |
| C14 | N2 | C31 | N6 | 5.2° | 0.2° |
| C14 | N2 | C31 | C21 | 176.0° | 179.7° |
| N2 | C14 | C13 | H4 | 2.0° | 0.0° |
| N2 | C14 | C32 | H19 | 1.8° | 0.0° |
| C20 | C16 | C15 | N2 | 143.3° | 131.9° |
| C20 | C16 | C15 | N5 | 41.7° | 48.5° |
| C20 | C16 | C17 | H8 | 179.2° | 179.7° |
| C16 | C20 | N4 | H25 | 179.4° | 4.4° |
| C16 | C20 | N4 | H26 | 60.6° | 175.6° |
| N4 | C20 | C16 | C15 | 0.3° | 0.1° |
| C20 | N4 | H25 | H26 | 120.0° | 180.0° |
| C16 | C15 | N2 | N5 | 175.6° | 179.7° |
| C16 | C15 | N2 | C31 | 178.7° | 179.7° |
| C16 | C15 | N5 | C21 | 178.2° | 180.0° |
| C15 | C16 | C17 | H8 | 0.7° | 0.1° |
| C15 | N2 | C31 | N6 | 179.1° | 179.8° |
| C15 | N2 | C31 | C21 | 2.1° | 0.3° |
| N2 | C15 | N5 | C21 | 2.8° | 0.3° |
| C31 | N2 | C15 | N5 | 3.1° | 0.0° |
| N2 | C31 | N6 | C21 | 178.6° | 179.9° |
| N2 | C31 | N6 | C24 | 178.7° | 180.0° |
| N2 | C31 | C21 | N5 | 0.5° | 0.4° |
| N2 | C31 | C21 | C22 | 178.1° | 180.0° |
| C15 | N5 | C21 | C31 | 1.4° | 0.5° |
| C15 | N5 | C21 | C22 | 179.7° | 179.9° |
| N6 | C31 | C21 | N5 | 179.3° | 179.6° |
| N6 | C31 | C21 | C22 | 0.7° | 0.1° |
| C31 | N6 | C24 | C25 | 178.9° | 180.0° |
| C31 | N6 | C24 | C23 | 0.4° | 0.0° |
| C21 | C31 | N6 | C24 | 0.1° | 0.1° |
| C31 | C21 | N5 | C22 | 178.3° | 179.4° |
| C31 | C21 | C22 | C23 | 1.1° | 0.1° |
| C31 | C21 | C22 | H11 | 179.0° | 180.0° |
| N6 | C24 | C25 | C30 | 24.4° | 179.7° |
| N6 | C24 | C25 | C23 | 178.4° | 180.0° |
| N6 | C24 | C25 | C26 | 160.6° | 0.0° |
| N6 | C24 | C23 | C22 | 0.0° | 0.0° |
| N6 | C24 | C23 | H12 | 180.0° | 180.0° |
| N5 | C21 | C22 | C23 | 179.3° | 179.4° |
| N5 | C21 | C22 | H11 | 0.8° | 0.6° |
| C29 | C30 | C25 | H18 | 180.0° | 179.6° |
| C30 | C29 | C28 | H16 | 180.0° | 179.9° |
| C29 | C30 | C25 | C24 | 177.1° | 179.8° |
| C29 | C30 | C25 | C26 | 2.0° | 0.5° |
| C30 | C29 | C28 | C27 | 0.3° | 0.2° |
| C30 | C29 | C28 | H15 | 179.7° | 179.9° |
| C25 | C30 | C29 | C28 | 0.4° | 0.5° |
| C30 | C25 | C24 | C26 | 175.0° | 179.7° |
| C30 | C25 | C24 | C23 | 154.0° | 0.3° |
| C30 | C25 | C26 | C27 | 3.0° | 0.2° |
| C30 | C25 | C26 | H13 | 177.0° | 179.8° |
| C25 | C30 | C29 | H16 | 179.6° | 179.7° |
| C29 | C28 | C27 | H15 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.8° | 0.0° |
| C29 | C28 | C27 | H14 | 179.2° | 180.0° |
| C28 | C29 | C30 | H18 | 179.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.8° | 0.0° |
| C21 | C22 | C23 | H11 | 180.0° | 179.9° |
| C21 | C22 | C23 | H12 | 179.3° | 180.0° |
| C25 | C24 | C23 | C22 | 178.3° | 180.0° |
| C24 | C25 | C26 | C27 | 178.1° | 179.9° |
| C25 | C24 | C23 | H12 | 1.7° | 0.0° |
| C24 | C25 | C26 | H13 | 1.9° | 0.0° |
| C24 | C25 | C30 | H18 | 2.9° | 0.2° |
| C23 | C24 | C25 | C26 | 21.0° | 180.0° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C24 | C23 | C22 | H11 | 179.3° | 179.9° |
| C25 | C26 | C27 | C28 | 2.5° | 0.0° |
| C25 | C26 | C27 | H13 | 180.0° | 180.0° |
| C25 | C26 | C27 | H14 | 177.5° | 180.0° |
| C26 | C25 | C30 | H18 | 178.0° | 180.0° |
| C28 | C27 | C26 | H14 | 180.0° | 179.9° |
| C28 | C27 | C26 | H13 | 177.5° | 180.0° |
| C27 | C28 | C29 | H16 | 179.7° | 179.9° |
| C26 | C27 | C28 | H15 | 179.2° | 179.9° |
| H1 | C10 | N1 | H24 | 175.0° | 120.0° |
| H2 | C10 | N1 | H24 | 65.3° | 120.0° |
| H3 | C12 | C13 | H4 | 0.6° | 0.0° |
| H8 | C17 | C18 | H9 | 1.1° | 0.0° |
| H9 | C18 | C19 | H10 | 1.0° | 0.0° |
| H11 | C22 | C23 | H12 | 0.7° | 0.0° |
| H13 | C26 | C27 | H14 | 2.5° | 0.1° |
| H14 | C27 | C28 | H15 | 0.8° | 0.0° |
| H15 | C28 | C29 | H16 | 0.2° | 0.0° |
| H16 | C29 | C30 | H18 | 0.3° | 0.1° |
| H17 | C3 | C4 | H21 | 1.3° | 0.0° |
| H19 | C32 | C33 | H20 | 0.4° | 0.0° |
