UQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N3 | sing | 1.46Å | 1.44Å | |
| N3 | C18 | sing | 1.35Å | 1.33Å | |
| C18 | O3 | doub | 1.22Å | 1.23Å | |
| C18 | C19 | sing | 1.48Å | 1.50Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.37Å | Aromatic |
| N5 | C23 | doub | 1.30Å | 1.32Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| N6 | C26 | sing | 1.37Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.42Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C27 | sing | 1.45Å | 1.43Å | Aromatic |
| C21 | C23 | sing | 1.46Å | 1.42Å | Aromatic |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 122.1° | 120.0° |
| C1 | N1 | H4 | 119.0° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C2 | O1 | 122.2° | 120.0° |
| N1 | C2 | C3 | 116.4° | 120.0° |
| C2 | N1 | H4 | 118.9° | 120.0° |
| O1 | C2 | C3 | 121.3° | 120.0° |
| C2 | C3 | C4 | 112.1° | 109.6° |
| C2 | C3 | N2 | 112.3° | 109.6° |
| C2 | C3 | H5 | 107.5° | 109.6° |
| C3 | C4 | C5 | 108.6° | 109.0° |
| C4 | C3 | N2 | 109.1° | 109.0° |
| C3 | C4 | H7 | 109.7° | 109.6° |
| C3 | C4 | H6 | 109.7° | 109.7° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C4 | C5 | C6 | 122.6° | 124.8° |
| C4 | C5 | C27 | 130.1° | 128.3° |
| C5 | C4 | H7 | 109.7° | 109.5° |
| C5 | C4 | H6 | 109.7° | 109.6° |
| C5 | C6 | C7 | 124.2° | 123.5° |
| C5 | C6 | N6 | 109.6° | 109.9° |
| C6 | C5 | C27 | 107.3° | 107.0° |
| C6 | C7 | N2 | 109.3° | 107.5° |
| C7 | C6 | N6 | 126.2° | 126.6° |
| C6 | C7 | H8 | 109.5° | 109.8° |
| C6 | C7 | H9 | 109.5° | 109.9° |
| C7 | N2 | C8 | 126.0° | 120.8° |
| C7 | N2 | C3 | 115.9° | 118.3° |
| N2 | C7 | H8 | 109.5° | 109.8° |
| N2 | C7 | H9 | 109.5° | 109.9° |
| N2 | C8 | O2 | 122.2° | 119.9° |
| N2 | C8 | C9 | 118.4° | 120.0° |
| C8 | N2 | C3 | 118.0° | 120.9° |
| O2 | C8 | C9 | 119.5° | 120.0° |
| C8 | C9 | C10 | 108.9° | 109.4° |
| C8 | C9 | N3 | 112.1° | 109.5° |
| C8 | C9 | H10 | 108.3° | 109.5° |
| C9 | C10 | C11 | 114.1° | 109.5° |
| C10 | C9 | N3 | 110.0° | 109.5° |
| C10 | C9 | H10 | 108.1° | 109.5° |
| C9 | C10 | H11 | 108.3° | 109.5° |
| C9 | C10 | H12 | 108.3° | 109.5° |
| C10 | C11 | C12 | 121.1° | 120.0° |
| C10 | C11 | C17 | 120.3° | 120.0° |
| C11 | C10 | H11 | 108.3° | 109.5° |
| C11 | C10 | H12 | 108.3° | 109.5° |
| C11 | C12 | C13 | 121.8° | 120.0° |
| C12 | C11 | C17 | 118.6° | 120.0° |
| C11 | C12 | H13 | 119.1° | 119.9° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C12 | C13 | C15 | 118.0° | 120.0° |
| C13 | C12 | H13 | 119.1° | 120.0° |
| C14 | C13 | C15 | 120.9° | 119.9° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C13 | C14 | H16 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C15 | C16 | 121.2° | 119.9° |
| C13 | C15 | H17 | 119.4° | 120.1° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H17 | 119.4° | 120.0° |
| C15 | C16 | H18 | 120.1° | 120.0° |
| C16 | C17 | C11 | 120.5° | 120.0° |
| C17 | C16 | H18 | 120.1° | 120.0° |
| C16 | C17 | H19 | 119.7° | 120.0° |
| C9 | N3 | C18 | 121.5° | 120.0° |
| N3 | C9 | H10 | 109.3° | 109.5° |
| C9 | N3 | H20 | 119.3° | 120.0° |
| N3 | C18 | O3 | 121.9° | 120.0° |
| N3 | C18 | C19 | 116.7° | 120.0° |
| C18 | N3 | H20 | 119.2° | 119.9° |
| O3 | C18 | C19 | 121.2° | 120.0° |
| C18 | C19 | C20 | 117.4° | 119.9° |
| C18 | C19 | C25 | 122.7° | 119.9° |
| C19 | C20 | C21 | 119.4° | 119.4° |
| C20 | C19 | C25 | 119.9° | 120.2° |
| C19 | C20 | H21 | 120.3° | 120.3° |
| C20 | C21 | C22 | 119.8° | 119.8° |
| C20 | C21 | C23 | 135.8° | 133.9° |
| C21 | C20 | H21 | 120.3° | 120.3° |
| C21 | C22 | N4 | 106.8° | 106.7° |
| C21 | C22 | C24 | 121.5° | 119.7° |
| C22 | C21 | C23 | 104.4° | 106.3° |
| C22 | N4 | N5 | 111.2° | 109.2° |
| N4 | C22 | C24 | 131.8° | 133.6° |
| C22 | N4 | H22 | 124.4° | 125.4° |
| N4 | N5 | C23 | 106.5° | 110.1° |
| N5 | N4 | H22 | 124.4° | 125.4° |
| N5 | C23 | C21 | 111.1° | 107.7° |
| N5 | C23 | H23 | 124.4° | 126.2° |
| C22 | C24 | C25 | 117.5° | 120.2° |
| C22 | C24 | H24 | 121.2° | 119.8° |
| C24 | C25 | C19 | 122.0° | 120.6° |
| C25 | C24 | H24 | 121.2° | 119.9° |
| C24 | C25 | H25 | 119.0° | 119.6° |
| C6 | N6 | C26 | 108.6° | 109.7° |
| C6 | N6 | H26 | 125.7° | 125.1° |
| N6 | C26 | C27 | 107.8° | 107.3° |
| N6 | C26 | C31 | 130.4° | 132.1° |
| C26 | N6 | H26 | 125.7° | 125.2° |
| C26 | C27 | C28 | 119.0° | 121.3° |
| C27 | C26 | C31 | 121.9° | 120.6° |
| C26 | C27 | C5 | 106.7° | 106.1° |
| C27 | C28 | C29 | 118.8° | 116.8° |
| C28 | C27 | C5 | 134.3° | 132.6° |
| C27 | C28 | H27 | 120.6° | 121.6° |
| C28 | C29 | C30 | 121.3° | 122.1° |
| C29 | C28 | H27 | 120.6° | 121.6° |
| C28 | C29 | H28 | 119.4° | 118.9° |
| C29 | C30 | C31 | 121.5° | 122.3° |
| C30 | C29 | H28 | 119.3° | 119.0° |
| C29 | C30 | H29 | 119.2° | 118.9° |
| C30 | C31 | C26 | 117.6° | 116.9° |
| C31 | C30 | H29 | 119.2° | 118.9° |
| C30 | C31 | H30 | 121.2° | 121.5° |
| N2 | C3 | H5 | 108.2° | 109.6° |
| C11 | C17 | H19 | 119.7° | 120.0° |
| C19 | C25 | H25 | 119.0° | 119.7° |
| C26 | C31 | H30 | 121.2° | 121.5° |
| C21 | C23 | H23 | 124.4° | 126.1° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H14 | 109.4° | 109.5° |
| H16 | C14 | H14 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.9° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 180.0° |
| C1 | N1 | C2 | O1 | 1.8° | 0.1° |
| C1 | N1 | C2 | C3 | 175.7° | 180.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 120.0° | 120.1° |
| N1 | C2 | O1 | C3 | 177.4° | 179.9° |
| N1 | C2 | C3 | C4 | 148.0° | 133.5° |
| N1 | C2 | C3 | N2 | 24.8° | 107.0° |
| N1 | C2 | C3 | H5 | 94.1° | 13.3° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| C2 | N1 | C1 | H2 | 60.0° | 179.9° |
| O1 | C2 | C3 | C4 | 34.4° | 46.4° |
| O1 | C2 | C3 | N2 | 157.7° | 73.1° |
| O1 | C2 | N1 | H4 | 178.2° | 180.0° |
| O1 | C2 | C3 | H5 | 83.4° | 166.6° |
| C2 | C3 | C4 | N2 | 125.0° | 119.9° |
| C2 | C3 | C4 | H5 | 117.9° | 120.3° |
| C2 | C3 | C4 | C5 | 73.5° | 165.1° |
| C2 | C3 | N2 | C7 | 59.9° | 175.8° |
| C2 | C3 | N2 | C8 | 122.8° | 4.3° |
| C2 | C3 | N2 | H5 | 118.5° | 120.3° |
| C2 | C3 | C4 | H7 | 166.6° | 45.2° |
| C2 | C3 | C4 | H6 | 46.3° | 75.0° |
| C3 | C2 | N1 | H4 | 4.3° | 0.0° |
| C3 | C4 | C5 | H7 | 119.9° | 119.9° |
| C3 | C4 | C5 | H6 | 119.9° | 120.0° |
| C3 | C4 | C5 | C6 | 22.2° | 17.7° |
| C4 | C3 | N2 | C7 | 65.1° | 64.4° |
| C4 | C3 | N2 | C8 | 112.3° | 115.6° |
| C4 | C3 | N2 | H5 | 116.6° | 119.8° |
| C3 | C4 | C5 | C27 | 157.5° | 162.3° |
| C3 | C4 | H7 | H6 | 120.4° | 120.3° |
| C4 | C5 | C6 | C27 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | N6 | 179.7° | 179.8° |
| C4 | C5 | C27 | C26 | 180.0° | 179.9° |
| C4 | C5 | C27 | C28 | 0.2° | 0.1° |
| C5 | C4 | C3 | N2 | 51.5° | 45.2° |
| C5 | C4 | H7 | H6 | 120.4° | 120.2° |
| C5 | C4 | C3 | H5 | 168.6° | 74.6° |
| C5 | C6 | C7 | N6 | 179.6° | 180.0° |
| C5 | C6 | C7 | N2 | 7.3° | 11.2° |
| C5 | C6 | N6 | C26 | 0.5° | 0.1° |
| C6 | C5 | C27 | C26 | 0.3° | 0.1° |
| C6 | C5 | C27 | C28 | 179.6° | 179.9° |
| C6 | C5 | C4 | H7 | 97.6° | 102.1° |
| C6 | C5 | C4 | H6 | 142.1° | 137.7° |
| C5 | C6 | C7 | H8 | 127.3° | 108.3° |
| C5 | C6 | C7 | H9 | 112.7° | 130.7° |
| C5 | C6 | N6 | H26 | 179.5° | 179.9° |
| C6 | C7 | N2 | H8 | 120.0° | 119.4° |
| C6 | C7 | N2 | H9 | 120.0° | 119.5° |
| C6 | C7 | N2 | C8 | 136.8° | 135.6° |
| C7 | C6 | N6 | C26 | 179.8° | 179.8° |
| C6 | C7 | N2 | C3 | 40.3° | 44.3° |
| C7 | C6 | C5 | C27 | 179.9° | 179.8° |
| C6 | C7 | H8 | H9 | 120.1° | 121.0° |
| C7 | C6 | N6 | H26 | 0.2° | 0.2° |
| C7 | N2 | C8 | C3 | 177.1° | 179.9° |
| C7 | N2 | C8 | O2 | 174.9° | 176.3° |
| C7 | N2 | C8 | C9 | 5.2° | 3.6° |
| N2 | C7 | C6 | N6 | 172.3° | 168.9° |
| N2 | C7 | H8 | H9 | 120.1° | 121.0° |
| C7 | N2 | C3 | H5 | 178.4° | 55.5° |
| N2 | C8 | O2 | C9 | 179.9° | 179.9° |
| N2 | C8 | C9 | C10 | 116.3° | 67.8° |
| N2 | C8 | C9 | N3 | 121.7° | 172.2° |
| C8 | N2 | C7 | H8 | 16.8° | 105.0° |
| C8 | N2 | C7 | H9 | 103.2° | 16.1° |
| N2 | C8 | C9 | H10 | 1.1° | 52.2° |
| C8 | N2 | C3 | H5 | 4.3° | 124.6° |
| O2 | C8 | C9 | C10 | 63.6° | 112.3° |
| O2 | C8 | C9 | N3 | 58.4° | 7.7° |
| O2 | C8 | N2 | C3 | 2.2° | 3.8° |
| O2 | C8 | C9 | H10 | 179.0° | 127.7° |
| C8 | C9 | C10 | N3 | 123.3° | 120.0° |
| C8 | C9 | C10 | H10 | 117.5° | 120.0° |
| C8 | C9 | C10 | C11 | 56.9° | 174.2° |
| C8 | C9 | N3 | H10 | 120.1° | 120.0° |
| C8 | C9 | N3 | C18 | 80.0° | 155.0° |
| C9 | C8 | N2 | C3 | 177.7° | 176.3° |
| C8 | C9 | C10 | H11 | 63.8° | 65.8° |
| C8 | C9 | C10 | H12 | 177.6° | 54.2° |
| C8 | C9 | N3 | H20 | 100.0° | 25.0° |
| C9 | C10 | C11 | H11 | 120.7° | 120.0° |
| C9 | C10 | C11 | H12 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 98.5° | 90.0° |
| C10 | C9 | N3 | H10 | 118.6° | 120.0° |
| C10 | C9 | N3 | C18 | 158.6° | 85.0° |
| C9 | C10 | C11 | C17 | 81.0° | 90.3° |
| C9 | C10 | H11 | H12 | 117.9° | 120.0° |
| C10 | C9 | N3 | H20 | 21.4° | 95.0° |
| C10 | C11 | C12 | C17 | 179.6° | 179.8° |
| C10 | C11 | C12 | C13 | 179.2° | 179.7° |
| C10 | C11 | C17 | C16 | 179.6° | 179.7° |
| C11 | C10 | C9 | N3 | 179.8° | 65.8° |
| C11 | C10 | C9 | H10 | 60.6° | 54.2° |
| C11 | C10 | H11 | H12 | 117.9° | 120.0° |
| C10 | C11 | C12 | H13 | 0.8° | 0.3° |
| C10 | C11 | C17 | H19 | 0.4° | 0.3° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C11 | C12 | C13 | C15 | 1.0° | 0.1° |
| C12 | C11 | C17 | C16 | 0.8° | 0.0° |
| C12 | C11 | C10 | H11 | 22.2° | 150.0° |
| C12 | C11 | C10 | H12 | 140.8° | 30.0° |
| C12 | C11 | C17 | H19 | 179.2° | 179.9° |
| C12 | C13 | C14 | C15 | 179.1° | 179.9° |
| C12 | C13 | C15 | C16 | 0.3° | 0.1° |
| C13 | C12 | C11 | C17 | 1.2° | 0.1° |
| C12 | C13 | C14 | H15 | 90.4° | 90.0° |
| C12 | C13 | C14 | H16 | 149.5° | 150.0° |
| C12 | C13 | C14 | H14 | 29.5° | 29.9° |
| C12 | C13 | C15 | H17 | 179.7° | 179.9° |
| C14 | C13 | C15 | C16 | 179.5° | 180.0° |
| C13 | C14 | H15 | H16 | 120.0° | 120.0° |
| C13 | C14 | H15 | H14 | 120.0° | 120.0° |
| C13 | C14 | H16 | H14 | 120.0° | 120.0° |
| C14 | C13 | C12 | H13 | 0.1° | 0.1° |
| C14 | C13 | C15 | H17 | 0.6° | 0.0° |
| C13 | C15 | C16 | H17 | 180.0° | 180.0° |
| C13 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C13 | C14 | H15 | 90.4° | 90.1° |
| C15 | C13 | C14 | H16 | 29.6° | 29.9° |
| C15 | C13 | C14 | H14 | 149.6° | 149.9° |
| C15 | C13 | C12 | H13 | 179.0° | 179.9° |
| C13 | C15 | C16 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | H18 | 180.0° | 179.9° |
| C15 | C16 | C17 | C11 | 0.2° | 0.0° |
| C15 | C16 | C17 | H19 | 179.8° | 179.9° |
| C16 | C17 | C11 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H17 | 179.9° | 179.9° |
| C9 | N3 | C18 | H20 | 180.0° | 180.0° |
| C9 | N3 | C18 | O3 | 2.6° | 0.0° |
| C9 | N3 | C18 | C19 | 178.6° | 180.0° |
| N3 | C9 | C10 | H11 | 59.5° | 54.2° |
| N3 | C9 | C10 | H12 | 59.1° | 174.2° |
| N3 | C18 | O3 | C19 | 175.8° | 180.0° |
| N3 | C18 | C19 | C20 | 160.0° | 180.0° |
| N3 | C18 | C19 | C25 | 18.4° | 0.3° |
| C18 | N3 | C9 | H10 | 40.1° | 35.0° |
| O3 | C18 | C19 | C20 | 16.0° | 0.0° |
| O3 | C18 | C19 | C25 | 165.6° | 179.7° |
| O3 | C18 | N3 | H20 | 177.4° | 180.0° |
| C18 | C19 | C20 | C25 | 178.4° | 179.7° |
| C18 | C19 | C20 | C21 | 178.4° | 180.0° |
| C18 | C19 | C25 | C24 | 178.4° | 179.7° |
| C19 | C18 | N3 | H20 | 1.5° | 0.0° |
| C18 | C19 | C20 | H21 | 1.6° | 0.1° |
| C18 | C19 | C25 | H25 | 1.6° | 0.1° |
| C19 | C20 | C21 | H21 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C25 | C24 | 0.0° | 0.6° |
| C19 | C20 | C21 | C23 | 179.2° | 179.9° |
| C20 | C19 | C25 | H25 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 179.3° | 180.0° |
| C20 | C21 | C22 | N4 | 179.6° | 180.0° |
| C20 | C21 | C23 | N5 | 178.6° | 180.0° |
| C20 | C21 | C22 | C24 | 0.3° | 0.0° |
| C21 | C20 | C19 | C25 | 0.0° | 0.3° |
| C20 | C21 | C23 | H23 | 1.5° | 0.1° |
| C21 | C22 | N4 | C24 | 179.8° | 179.9° |
| C21 | C22 | N4 | N5 | 1.0° | 0.0° |
| C22 | C21 | C23 | N5 | 0.6° | 0.0° |
| C21 | C22 | C24 | C25 | 0.3° | 0.3° |
| C22 | C21 | C20 | H21 | 179.9° | 179.9° |
| C22 | C21 | C23 | H23 | 179.4° | 180.0° |
| C21 | C22 | C24 | H24 | 179.7° | 180.0° |
| C21 | C22 | N4 | H22 | 179.1° | 180.0° |
| C22 | N4 | N5 | H22 | 180.0° | 180.0° |
| C22 | N4 | N5 | C23 | 1.3° | 0.0° |
| N4 | C22 | C24 | C25 | 179.5° | 179.8° |
| N4 | C22 | C21 | C23 | 0.2° | 0.0° |
| N4 | C22 | C24 | H24 | 0.5° | 0.1° |
| N5 | N4 | C22 | C24 | 178.9° | 179.9° |
| N4 | N5 | C23 | C21 | 1.1° | 0.1° |
| N4 | N5 | C23 | H23 | 178.8° | 180.0° |
| N5 | C23 | C21 | H23 | 180.0° | 179.9° |
| C23 | N5 | N4 | H22 | 178.7° | 180.0° |
| C22 | C24 | C25 | H24 | 180.0° | 179.7° |
| C22 | C24 | C25 | C19 | 0.2° | 0.6° |
| C24 | C22 | C21 | C23 | 179.6° | 179.9° |
| C22 | C24 | C25 | H25 | 179.8° | 179.7° |
| C24 | C22 | N4 | H22 | 1.1° | 0.1° |
| C24 | C25 | C19 | H25 | 180.0° | 179.7° |
| C6 | N6 | C26 | H26 | 180.0° | 180.0° |
| C6 | N6 | C26 | C27 | 0.3° | 0.1° |
| C6 | N6 | C26 | C31 | 179.6° | 179.9° |
| N6 | C6 | C5 | C27 | 0.5° | 0.1° |
| N6 | C6 | C7 | H8 | 52.3° | 71.7° |
| N6 | C6 | C7 | H9 | 67.7° | 49.4° |
| N6 | C26 | C27 | C31 | 179.9° | 180.0° |
| N6 | C26 | C27 | C28 | 179.9° | 180.0° |
| N6 | C26 | C31 | C30 | 179.6° | 180.0° |
| N6 | C26 | C27 | C5 | 0.0° | 0.0° |
| N6 | C26 | C31 | H30 | 0.5° | 0.0° |
| C26 | C27 | C28 | C5 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C26 | C31 | C30 | 0.3° | 0.1° |
| C26 | C27 | C28 | H27 | 179.8° | 180.0° |
| C27 | C26 | C31 | H30 | 179.7° | 180.0° |
| C27 | C26 | N6 | H26 | 179.7° | 179.9° |
| C27 | C28 | C29 | H27 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C28 | C27 | C26 | C31 | 0.0° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | H28 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C29 | C28 | C27 | C5 | 179.7° | 179.9° |
| C28 | C29 | C30 | H29 | 179.7° | 180.0° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 0.5° | 0.0° |
| C30 | C29 | C28 | H27 | 180.0° | 180.0° |
| C29 | C30 | C31 | H30 | 179.5° | 180.0° |
| C30 | C31 | C26 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | H28 | 179.7° | 179.9° |
| N2 | C3 | C4 | H7 | 68.4° | 74.6° |
| N2 | C3 | C4 | H6 | 171.4° | 165.1° |
| C3 | N2 | C7 | H8 | 160.3° | 75.1° |
| C3 | N2 | C7 | H9 | 79.7° | 163.8° |
| C17 | C11 | C10 | H11 | 158.3° | 29.7° |
| C17 | C11 | C10 | H12 | 39.6° | 149.7° |
| C17 | C11 | C12 | H13 | 178.8° | 180.0° |
| C11 | C17 | C16 | H18 | 179.8° | 180.0° |
| C25 | C19 | C20 | H21 | 180.0° | 179.8° |
| C19 | C25 | C24 | H24 | 179.8° | 179.7° |
| C31 | C26 | C27 | C5 | 179.9° | 180.0° |
| C26 | C31 | C30 | H29 | 179.5° | 180.0° |
| C31 | C26 | N6 | H26 | 0.5° | 0.1° |
| C27 | C5 | C4 | H7 | 82.6° | 77.9° |
| C27 | C5 | C4 | H6 | 37.7° | 42.3° |
| C5 | C27 | C28 | H27 | 0.4° | 0.0° |
| C23 | C21 | C20 | H21 | 0.8° | 0.0° |
| H7 | C4 | C3 | H5 | 48.7° | 165.6° |
| H6 | C4 | C3 | H5 | 71.5° | 45.3° |
| H15 | C14 | H16 | H14 | 120.0° | 120.0° |
| H10 | C9 | C10 | H11 | 178.7° | 174.2° |
| H10 | C9 | C10 | H12 | 60.1° | 65.8° |
| H10 | C9 | N3 | H20 | 139.9° | 145.0° |
| H4 | N1 | C1 | H1 | 0.0° | 120.0° |
| H4 | N1 | C1 | H3 | 120.0° | 120.0° |
| H4 | N1 | C1 | H2 | 120.0° | 0.0° |
| H1 | C1 | H3 | H2 | 120.0° | 119.9° |
| H17 | C15 | C16 | H18 | 0.1° | 0.0° |
| H18 | C16 | C17 | H19 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.1° |
| H27 | C28 | C29 | H28 | 0.0° | 0.1° |
| H28 | C29 | C30 | H29 | 0.3° | 0.0° |
| H29 | C30 | C31 | H30 | 0.5° | 0.0° |
