QBU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C9 | sing | 1.38Å | 1.35Å | |
| N1 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| N | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C4 | sing | 1.54Å | 1.53Å | |
| C1 | C | sing | 1.55Å | 1.53Å | |
| C7 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | O3 | sing | 1.44Å | 1.41Å | |
| C8 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C2 | sing | 1.54Å | 1.53Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| O3 | C2 | sing | 1.44Å | 1.44Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| O | H23 | sing | 0.97Å | 0.95Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C17 | C18 | H1 | 120.2° | 120.0° |
| C18 | C17 | H2 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C19 | C18 | H1 | 120.2° | 120.0° |
| C18 | C19 | H24 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.7° | 120.0° |
| C16 | C17 | H2 | 119.9° | 120.0° |
| C17 | C16 | H3 | 119.6° | 120.0° |
| C19 | C20 | C15 | 120.7° | 120.0° |
| C20 | C19 | H24 | 119.9° | 120.0° |
| C19 | C20 | H25 | 119.7° | 120.0° |
| C16 | C15 | C20 | 118.4° | 120.0° |
| C16 | C15 | C14 | 120.8° | 120.0° |
| C15 | C16 | H3 | 119.7° | 120.0° |
| C20 | C15 | C14 | 120.8° | 120.0° |
| C15 | C20 | H25 | 119.6° | 120.1° |
| C15 | C14 | C13 | 112.9° | 109.5° |
| C15 | C14 | H4 | 108.6° | 109.5° |
| C15 | C14 | H5 | 108.6° | 109.5° |
| C14 | C13 | C12 | 113.9° | 109.5° |
| C13 | C14 | H4 | 108.6° | 109.5° |
| C13 | C14 | H5 | 108.6° | 109.5° |
| C14 | C13 | H6 | 108.3° | 109.5° |
| C14 | C13 | H7 | 108.4° | 109.5° |
| C13 | C12 | C11 | 113.2° | 109.5° |
| C12 | C13 | H6 | 108.3° | 109.4° |
| C12 | C13 | H7 | 108.3° | 109.5° |
| C13 | C12 | H8 | 108.5° | 109.4° |
| C13 | C12 | H9 | 108.5° | 109.5° |
| C12 | C11 | C10 | 113.7° | 109.5° |
| C11 | C12 | H8 | 108.6° | 109.5° |
| C11 | C12 | H9 | 108.5° | 109.5° |
| C12 | C11 | H10 | 108.4° | 109.4° |
| C12 | C11 | H11 | 108.4° | 109.5° |
| C11 | C10 | N4 | 111.5° | 109.5° |
| C10 | C11 | H10 | 108.4° | 109.5° |
| C10 | C11 | H11 | 108.4° | 109.5° |
| C11 | C10 | H12 | 109.0° | 109.5° |
| C11 | C10 | H13 | 109.0° | 109.5° |
| C10 | N4 | C9 | 125.9° | 120.0° |
| N4 | C10 | H12 | 108.9° | 109.5° |
| N4 | C10 | H13 | 108.9° | 109.4° |
| C10 | N4 | H26 | 105.2° | 120.0° |
| N4 | C9 | C6 | 123.9° | 120.8° |
| N4 | C9 | N3 | 117.7° | 120.7° |
| C9 | N4 | H26 | 105.2° | 119.9° |
| C5 | N1 | C6 | 103.6° | 109.4° |
| N1 | C5 | N | 114.0° | 110.0° |
| N1 | C5 | H16 | 123.0° | 125.0° |
| N1 | C6 | C9 | 133.0° | 134.7° |
| N1 | C6 | C7 | 111.0° | 107.1° |
| C5 | N | C7 | 106.0° | 107.4° |
| C5 | N | C4 | 127.1° | 126.3° |
| N | C5 | H16 | 123.0° | 125.0° |
| C6 | C9 | N3 | 118.3° | 118.5° |
| C9 | C6 | C7 | 116.0° | 118.2° |
| C9 | N3 | C8 | 118.5° | 121.1° |
| C6 | C7 | N | 105.4° | 106.0° |
| C6 | C7 | N2 | 127.0° | 119.1° |
| O1 | C1 | C4 | 109.6° | 110.5° |
| O1 | C1 | C | 112.0° | 110.5° |
| O1 | C1 | H15 | 112.2° | 110.6° |
| C1 | O1 | H27 | 109.5° | 113.9° |
| C7 | N | C4 | 126.8° | 126.3° |
| N | C7 | N2 | 127.7° | 134.9° |
| N | C4 | C1 | 114.3° | 110.3° |
| N | C4 | O3 | 108.2° | 110.3° |
| N | C4 | H17 | 109.4° | 110.4° |
| N3 | C8 | N2 | 128.8° | 122.5° |
| N3 | C8 | H14 | 115.6° | 118.7° |
| C4 | C1 | C | 101.3° | 104.0° |
| C1 | C4 | O3 | 106.3° | 104.8° |
| C4 | C1 | H15 | 110.6° | 110.5° |
| C1 | C4 | H17 | 108.5° | 110.4° |
| C1 | C | C2 | 102.8° | 104.1° |
| C1 | C | O | 112.0° | 110.5° |
| C | C1 | H15 | 110.6° | 110.6° |
| C1 | C | H22 | 109.8° | 110.4° |
| C7 | N2 | C8 | 111.3° | 120.6° |
| C4 | O3 | C2 | 110.0° | 105.2° |
| O3 | C4 | H17 | 110.1° | 110.4° |
| N2 | C8 | H14 | 115.6° | 118.8° |
| C2 | C | O | 110.8° | 110.5° |
| C | C2 | C3 | 115.4° | 110.4° |
| C | C2 | O3 | 106.3° | 104.8° |
| C | C2 | H20 | 108.1° | 110.4° |
| C2 | C | H22 | 109.8° | 110.5° |
| O | C | H22 | 111.3° | 110.6° |
| C | O | H23 | 109.5° | 114.0° |
| C2 | C3 | O2 | 111.2° | 109.5° |
| C3 | C2 | O3 | 109.4° | 110.4° |
| C2 | C3 | H18 | 109.0° | 109.5° |
| C2 | C3 | H19 | 109.0° | 109.5° |
| C3 | C2 | H20 | 108.3° | 110.3° |
| O2 | C3 | H18 | 109.0° | 109.4° |
| O2 | C3 | H19 | 109.1° | 109.4° |
| C3 | O2 | H21 | 109.5° | 114.1° |
| O3 | C2 | H20 | 109.2° | 110.4° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H1 | 180.0° | 179.8° |
| C18 | C17 | C16 | H2 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C17 | C18 | C19 | H24 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C18 | C19 | C20 | H24 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 0.1° | 0.2° |
| C19 | C18 | C17 | H2 | 179.8° | 180.0° |
| C18 | C19 | C20 | H25 | 179.9° | 180.0° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.2° | 0.0° |
| C17 | C16 | C15 | C14 | 179.0° | 180.0° |
| C16 | C17 | C18 | H1 | 179.8° | 179.7° |
| C19 | C20 | C15 | C16 | 0.3° | 0.1° |
| C19 | C20 | C15 | H25 | 180.0° | 179.8° |
| C19 | C20 | C15 | C14 | 178.9° | 179.9° |
| C20 | C19 | C18 | H1 | 179.9° | 179.7° |
| C16 | C15 | C20 | C14 | 179.2° | 180.0° |
| C16 | C15 | C14 | C13 | 94.7° | 90.0° |
| C15 | C16 | C17 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | H4 | 144.8° | 150.0° |
| C16 | C15 | C14 | H5 | 25.8° | 30.0° |
| C16 | C15 | C20 | H25 | 179.7° | 179.9° |
| C20 | C15 | C14 | C13 | 84.5° | 90.0° |
| C20 | C15 | C16 | H3 | 179.8° | 180.0° |
| C20 | C15 | C14 | H4 | 36.0° | 30.0° |
| C20 | C15 | C14 | H5 | 155.0° | 150.0° |
| C15 | C20 | C19 | H24 | 179.9° | 179.9° |
| C15 | C14 | C13 | H4 | 120.5° | 120.0° |
| C15 | C14 | C13 | H5 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 171.5° | 180.0° |
| C14 | C15 | C16 | H3 | 1.0° | 0.0° |
| C15 | C14 | H4 | H5 | 118.4° | 120.0° |
| C15 | C14 | C13 | H6 | 50.8° | 60.0° |
| C15 | C14 | C13 | H7 | 67.8° | 60.0° |
| C14 | C15 | C20 | H25 | 1.0° | 0.1° |
| C14 | C13 | C12 | H6 | 120.7° | 120.0° |
| C14 | C13 | C12 | H7 | 120.7° | 120.1° |
| C14 | C13 | C12 | C11 | 171.3° | 180.0° |
| C13 | C14 | H4 | H5 | 118.5° | 120.0° |
| C14 | C13 | H6 | H7 | 118.0° | 120.0° |
| C14 | C13 | C12 | H8 | 68.1° | 60.0° |
| C14 | C13 | C12 | H9 | 50.8° | 59.9° |
| C13 | C12 | C11 | H8 | 120.6° | 120.0° |
| C13 | C12 | C11 | H9 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 176.6° | 180.0° |
| C12 | C13 | C14 | H4 | 68.0° | 60.0° |
| C12 | C13 | C14 | H5 | 51.0° | 60.0° |
| C12 | C13 | H6 | H7 | 118.0° | 119.9° |
| C13 | C12 | H8 | H9 | 118.3° | 120.0° |
| C13 | C12 | C11 | H10 | 62.8° | 60.0° |
| C13 | C12 | C11 | H11 | 56.0° | 60.0° |
| C12 | C11 | C10 | H10 | 120.6° | 120.0° |
| C12 | C11 | C10 | H11 | 120.6° | 120.0° |
| C12 | C11 | C10 | N4 | 179.2° | 180.0° |
| C11 | C12 | C13 | H6 | 50.7° | 60.0° |
| C11 | C12 | C13 | H7 | 68.0° | 59.9° |
| C11 | C12 | H8 | H9 | 118.3° | 120.0° |
| C12 | C11 | H10 | H11 | 118.1° | 120.0° |
| C12 | C11 | C10 | H12 | 60.5° | 60.0° |
| C12 | C11 | C10 | H13 | 58.9° | 60.0° |
| C11 | C10 | N4 | H12 | 120.3° | 120.0° |
| C11 | C10 | N4 | H13 | 120.3° | 120.0° |
| C11 | C10 | N4 | C9 | 84.4° | 180.0° |
| C10 | C11 | C12 | H8 | 56.1° | 60.0° |
| C10 | C11 | C12 | H9 | 62.8° | 60.0° |
| C10 | C11 | H10 | H11 | 118.0° | 120.0° |
| C11 | C10 | H12 | H13 | 119.1° | 120.0° |
| C11 | C10 | N4 | H26 | 153.4° | 0.1° |
| C10 | N4 | C9 | H26 | 122.2° | 179.9° |
| C10 | N4 | C9 | C6 | 0.7° | 180.0° |
| C10 | N4 | C9 | N3 | 177.5° | 0.2° |
| N4 | C10 | C11 | H10 | 58.6° | 60.0° |
| N4 | C10 | C11 | H11 | 60.2° | 60.1° |
| N4 | C10 | H12 | H13 | 119.0° | 120.0° |
| N4 | C9 | C6 | N1 | 2.2° | 0.1° |
| N4 | C9 | C6 | N3 | 178.1° | 179.8° |
| N4 | C9 | C6 | C7 | 177.3° | 179.8° |
| N4 | C9 | N3 | C8 | 177.8° | 179.8° |
| C9 | N4 | C10 | H12 | 35.9° | 59.9° |
| C9 | N4 | C10 | H13 | 155.3° | 60.1° |
| N1 | C5 | N | H16 | 180.0° | 179.9° |
| C5 | N1 | C6 | C9 | 179.2° | 179.9° |
| C5 | N1 | C6 | C7 | 0.4° | 0.0° |
| N1 | C5 | N | C7 | 0.7° | 0.1° |
| N1 | C5 | N | C4 | 176.7° | 180.0° |
| C6 | N1 | C5 | N | 0.2° | 0.1° |
| N1 | C6 | C9 | C7 | 179.5° | 179.9° |
| N1 | C6 | C9 | N3 | 179.6° | 179.9° |
| N1 | C6 | C7 | N | 0.8° | 0.1° |
| N1 | C6 | C7 | N2 | 179.6° | 179.9° |
| C6 | N1 | C5 | H16 | 179.8° | 180.0° |
| C5 | N | C7 | C6 | 0.8° | 0.1° |
| C5 | N | C7 | C4 | 177.4° | 179.9° |
| C5 | N | C4 | C1 | 43.4° | 95.0° |
| C5 | N | C7 | N2 | 179.5° | 179.9° |
| C5 | N | C4 | O3 | 74.7° | 20.4° |
| C5 | N | C4 | H17 | 165.4° | 142.6° |
| C9 | C6 | C7 | N | 178.9° | 180.0° |
| C6 | C9 | N3 | C8 | 0.4° | 0.0° |
| C9 | C6 | C7 | N2 | 0.8° | 0.0° |
| C6 | C9 | N4 | H26 | 122.9° | 0.1° |
| N3 | C9 | C6 | C7 | 0.9° | 0.1° |
| C9 | N3 | C8 | N2 | 0.2° | 0.0° |
| C9 | N3 | C8 | H14 | 179.8° | 180.0° |
| N3 | C9 | N4 | H26 | 55.3° | 179.7° |
| C6 | C7 | N | N2 | 179.7° | 180.0° |
| C6 | C7 | N | C4 | 176.6° | 180.0° |
| C6 | C7 | N2 | C8 | 0.3° | 0.0° |
| O1 | C1 | C4 | N | 87.8° | 98.6° |
| O1 | C1 | C4 | C | 118.5° | 118.6° |
| O1 | C1 | C4 | H15 | 124.3° | 122.7° |
| O1 | C1 | C | H15 | 126.0° | 122.8° |
| O1 | C1 | C4 | O3 | 152.9° | 142.6° |
| O1 | C1 | C | C2 | 151.1° | 118.6° |
| O1 | C1 | C | O | 32.1° | 0.1° |
| O1 | C1 | C4 | H17 | 34.6° | 23.7° |
| O1 | C1 | C | H22 | 92.1° | 122.8° |
| C7 | N | C4 | C1 | 139.7° | 85.1° |
| C7 | N | C4 | O3 | 102.1° | 159.5° |
| N | C7 | N2 | C8 | 179.4° | 180.0° |
| C7 | N | C5 | H16 | 179.3° | 180.0° |
| C7 | N | C4 | H17 | 17.8° | 37.2° |
| N | C4 | C1 | O3 | 119.3° | 118.8° |
| N | C4 | C1 | H17 | 122.4° | 122.3° |
| N | C4 | C1 | C | 153.7° | 142.8° |
| C4 | N | C7 | N2 | 3.1° | 0.0° |
| N | C4 | O3 | H17 | 119.5° | 122.3° |
| N | C4 | O3 | C2 | 143.9° | 159.3° |
| N | C4 | C1 | H15 | 36.5° | 24.1° |
| C4 | N | C5 | H16 | 3.3° | 0.1° |
| N3 | C8 | N2 | C7 | 0.3° | 0.0° |
| N3 | C8 | N2 | H14 | 180.0° | 180.0° |
| C4 | C1 | C | H15 | 117.3° | 118.7° |
| C1 | C4 | O3 | H17 | 117.3° | 118.9° |
| C4 | C1 | C | C2 | 34.4° | 0.1° |
| C4 | C1 | C | O | 84.6° | 118.6° |
| C1 | C4 | O3 | C2 | 20.7° | 40.6° |
| C4 | C1 | C | H22 | 151.2° | 118.7° |
| C4 | C1 | O1 | H27 | 180.0° | 180.0° |
| C | C1 | C4 | O3 | 34.4° | 24.1° |
| C1 | C | C2 | O | 119.8° | 118.7° |
| C1 | C | C2 | H22 | 116.8° | 118.6° |
| C1 | C | O | H22 | 123.3° | 122.6° |
| C1 | C | C2 | C3 | 97.9° | 142.8° |
| C1 | C | C2 | O3 | 23.6° | 23.9° |
| C | C1 | C4 | H17 | 83.9° | 94.8° |
| C1 | C | C2 | H20 | 140.7° | 94.9° |
| C1 | C | O | H23 | 180.0° | 180.0° |
| C | C1 | O1 | H27 | 68.4° | 65.4° |
| C7 | N2 | C8 | H14 | 179.7° | 180.0° |
| C4 | O3 | C2 | C | 2.1° | 40.5° |
| C4 | O3 | C2 | C3 | 123.1° | 159.4° |
| O3 | C4 | C1 | H15 | 82.8° | 94.7° |
| C4 | O3 | C2 | H20 | 118.5° | 78.4° |
| C2 | C | O | H22 | 122.5° | 122.7° |
| C | C2 | C3 | O3 | 119.8° | 115.4° |
| C | C2 | C3 | H20 | 121.3° | 122.3° |
| C | C2 | C3 | O2 | 82.1° | 178.1° |
| C | C2 | O3 | H20 | 116.4° | 118.9° |
| C2 | C | C1 | H15 | 82.9° | 118.6° |
| C | C2 | C3 | H18 | 38.1° | 58.1° |
| C | C2 | C3 | H19 | 157.6° | 61.8° |
| C2 | C | O | H23 | 65.8° | 65.3° |
| O | C | C2 | C3 | 142.3° | 98.5° |
| O | C | C2 | O3 | 96.3° | 142.6° |
| O | C | C1 | H15 | 158.1° | 122.7° |
| O | C | C2 | H20 | 20.9° | 23.7° |
| C2 | C3 | O2 | H18 | 120.2° | 120.0° |
| C2 | C3 | O2 | H19 | 120.2° | 120.0° |
| C3 | C2 | O3 | H20 | 118.4° | 122.2° |
| C2 | C3 | H18 | H19 | 119.2° | 120.0° |
| C2 | C3 | O2 | H21 | 180.0° | 180.0° |
| C3 | C2 | C | H22 | 18.9° | 24.2° |
| O2 | C3 | C2 | O3 | 158.1° | 66.5° |
| O2 | C3 | H18 | H19 | 119.3° | 119.9° |
| O2 | C3 | C2 | H20 | 39.1° | 55.8° |
| C2 | O3 | C4 | H17 | 96.7° | 78.4° |
| O3 | C2 | C3 | H18 | 81.7° | 173.5° |
| O3 | C2 | C3 | H19 | 37.8° | 53.6° |
| O3 | C2 | C | H22 | 140.4° | 94.6° |
| H1 | C18 | C17 | H2 | 0.2° | 0.3° |
| H1 | C18 | C19 | H24 | 0.1° | 0.2° |
| H2 | C17 | C16 | H3 | 0.0° | 0.0° |
| H4 | C14 | C13 | H6 | 171.4° | 180.0° |
| H4 | C14 | C13 | H7 | 52.7° | 60.0° |
| H5 | C14 | C13 | H6 | 69.6° | 60.0° |
| H5 | C14 | C13 | H7 | 171.7° | 180.0° |
| H6 | C13 | C12 | H8 | 171.3° | 180.0° |
| H6 | C13 | C12 | H9 | 69.9° | 60.1° |
| H7 | C13 | C12 | H8 | 52.6° | 60.1° |
| H7 | C13 | C12 | H9 | 171.5° | 180.0° |
| H8 | C12 | C11 | H10 | 176.7° | 180.0° |
| H8 | C12 | C11 | H11 | 64.6° | 60.0° |
| H9 | C12 | C11 | H10 | 57.8° | 60.0° |
| H9 | C12 | C11 | H11 | 176.5° | 180.0° |
| H10 | C11 | C10 | H12 | 178.8° | 180.0° |
| H10 | C11 | C10 | H13 | 61.7° | 60.0° |
| H11 | C11 | C10 | H12 | 60.1° | 60.0° |
| H11 | C11 | C10 | H13 | 179.5° | NaN° |
| H12 | C10 | N4 | H26 | 86.3° | 119.9° |
| H13 | C10 | N4 | H26 | 33.1° | 120.1° |
| H15 | C1 | C4 | H17 | 158.9° | 146.4° |
| H15 | C1 | C | H22 | 33.9° | 0.0° |
| H15 | C1 | O1 | H27 | 56.7° | 57.3° |
| H18 | C3 | C2 | H20 | 159.4° | 64.2° |
| H18 | C3 | O2 | H21 | 59.7° | 60.0° |
| H19 | C3 | C2 | H20 | 81.1° | 175.8° |
| H19 | C3 | O2 | H21 | 59.8° | 59.9° |
| H20 | C2 | C | H22 | 102.5° | 146.5° |
| H22 | C | O | H23 | 56.7° | 57.4° |
| H24 | C19 | C20 | H25 | 0.1° | 0.1° |
