UUH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| O3 | C18 | sing | 1.43Å | 1.43Å | |
| O2 | C17 | sing | 1.43Å | 1.42Å | |
| N5 | C21 | sing | 1.37Å | 1.40Å | Aromatic |
| N5 | B1 | sing | 1.52Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C7 | sing | 1.39Å | 1.41Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| F2 | B1 | sing | 1.37Å | 1.38Å | |
| F1 | B1 | sing | 1.37Å | 1.39Å | |
| B1 | N1 | sing | 1.52Å | 1.54Å | |
| O4 | C20 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | O1 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | doub | 1.40Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N4 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| N4 | C12 | sing | 1.34Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C20 | C15 | sing | 1.53Å | 1.53Å | |
| N3 | N2 | sing | 1.29Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N1 | C4 | doub | 1.33Å | 1.35Å | |
| C12 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| C6 | C2 | sing | 1.41Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N2 | C13 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.38Å | 1.37Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 127.0° | 125.5° |
| C26 | C25 | N5 | 124.0° | 125.4° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C26 | H36 | 109.4° | 109.5° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C25 | C24 | C22 | 108.5° | 107.5° |
| C24 | C25 | N5 | 109.0° | 109.1° |
| C25 | C24 | H33 | 125.8° | 126.3° |
| C24 | C22 | C23 | 124.6° | 126.7° |
| C24 | C22 | C21 | 107.0° | 106.6° |
| C22 | C24 | H33 | 125.7° | 126.3° |
| C25 | N5 | C21 | 108.6° | 109.5° |
| C25 | N5 | B1 | 126.2° | 132.0° |
| C23 | C22 | C21 | 128.5° | 126.7° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C22 | C23 | H32 | 109.5° | 109.4° |
| C22 | C21 | N5 | 107.0° | 107.3° |
| C22 | C21 | C7 | 132.5° | 131.5° |
| O3 | C18 | C17 | 111.1° | 109.5° |
| O3 | C18 | C19 | 111.8° | 109.4° |
| O3 | C18 | H24 | 108.8° | 109.5° |
| C18 | O3 | H25 | 109.5° | 114.0° |
| O2 | C17 | C18 | 108.2° | 109.4° |
| O2 | C17 | C16 | 112.3° | 109.4° |
| O2 | C17 | H22 | 109.8° | 109.4° |
| C17 | O2 | H23 | 109.5° | 114.0° |
| C21 | N5 | B1 | 125.1° | 118.5° |
| N5 | C21 | C7 | 120.1° | 121.2° |
| N5 | B1 | F2 | 108.8° | 107.9° |
| N5 | B1 | F1 | 111.4° | 107.9° |
| N5 | B1 | N1 | 107.7° | 117.3° |
| C17 | C18 | C19 | 109.7° | 109.4° |
| C18 | C17 | C16 | 109.7° | 109.5° |
| C18 | C17 | H22 | 108.4° | 109.5° |
| C17 | C18 | H24 | 107.5° | 109.5° |
| C18 | C19 | C20 | 107.0° | 109.5° |
| C19 | C18 | H24 | 107.6° | 109.5° |
| C18 | C19 | H27 | 110.1° | 109.5° |
| C18 | C19 | H26 | 110.1° | 109.5° |
| C21 | C7 | C8 | 118.3° | 118.4° |
| C21 | C7 | C6 | 119.5° | 123.3° |
| C17 | C16 | O1 | 110.3° | 109.5° |
| C17 | C16 | C15 | 111.6° | 109.4° |
| C17 | C16 | H20 | 107.8° | 109.5° |
| C16 | C17 | H22 | 108.4° | 109.5° |
| F2 | B1 | F1 | 108.3° | 107.6° |
| F2 | B1 | N1 | 108.3° | 107.7° |
| F1 | B1 | N1 | 112.3° | 108.0° |
| B1 | N1 | C6 | 125.0° | 118.5° |
| B1 | N1 | C4 | 123.7° | 132.0° |
| O4 | C20 | C19 | 109.7° | 109.5° |
| O4 | C20 | C15 | 112.1° | 109.5° |
| O4 | C20 | H28 | 109.6° | 109.4° |
| C20 | O4 | H29 | 109.5° | 114.0° |
| C19 | C20 | C15 | 108.5° | 109.5° |
| C20 | C19 | H27 | 110.1° | 109.5° |
| C20 | C19 | H26 | 110.1° | 109.4° |
| C19 | C20 | H28 | 108.6° | 109.5° |
| O1 | C16 | C15 | 110.4° | 109.5° |
| O1 | C16 | H20 | 108.9° | 109.5° |
| C16 | O1 | H21 | 109.5° | 114.0° |
| C16 | C15 | C20 | 110.4° | 109.5° |
| C16 | C15 | C14 | 114.5° | 109.5° |
| C16 | C15 | H19 | 106.6° | 109.5° |
| C15 | C16 | H20 | 107.7° | 109.4° |
| C8 | C7 | C6 | 120.1° | 118.3° |
| C7 | C8 | C9 | 118.2° | 109.4° |
| C7 | C8 | H8 | 107.2° | 109.5° |
| C7 | C8 | H9 | 107.3° | 109.4° |
| C7 | C6 | N1 | 121.2° | 121.2° |
| C7 | C6 | C2 | 133.8° | 131.5° |
| C8 | C9 | C10 | 118.0° | 109.5° |
| C9 | C8 | H8 | 107.3° | 109.5° |
| C9 | C8 | H9 | 107.3° | 109.5° |
| C8 | C9 | H10 | 107.3° | 109.5° |
| C8 | C9 | H11 | 107.3° | 109.5° |
| N3 | N4 | C12 | 109.5° | 108.9° |
| N4 | N3 | N2 | 107.4° | 110.2° |
| N4 | C12 | C11 | 122.2° | 126.8° |
| N4 | C12 | C13 | 107.3° | 106.5° |
| C9 | C10 | C11 | 117.7° | 109.5° |
| C10 | C9 | H10 | 107.3° | 109.5° |
| C10 | C9 | H11 | 107.3° | 109.4° |
| C9 | C10 | H12 | 107.4° | 109.5° |
| C9 | C10 | H13 | 107.4° | 109.4° |
| C10 | C11 | C12 | 113.8° | 109.4° |
| C11 | C10 | H12 | 107.4° | 109.5° |
| C11 | C10 | H13 | 107.4° | 109.5° |
| C10 | C11 | H14 | 108.4° | 109.5° |
| C10 | C11 | H15 | 108.4° | 109.4° |
| C20 | C15 | C14 | 111.4° | 109.5° |
| C20 | C15 | H19 | 106.7° | 109.5° |
| C15 | C20 | H28 | 108.3° | 109.5° |
| N3 | N2 | C13 | 109.9° | 108.2° |
| N3 | N2 | C14 | 120.5° | 125.9° |
| C11 | C12 | C13 | 130.5° | 126.7° |
| C12 | C11 | H14 | 108.4° | 109.5° |
| C12 | C11 | H15 | 108.4° | 109.4° |
| C6 | N1 | C4 | 111.3° | 109.5° |
| N1 | C6 | C2 | 104.4° | 107.3° |
| N1 | C4 | C5 | 123.6° | 125.4° |
| N1 | C4 | C3 | 108.2° | 109.1° |
| C12 | C13 | N2 | 105.9° | 106.2° |
| C12 | C13 | H16 | 127.0° | 126.9° |
| C6 | C2 | C3 | 108.2° | 106.7° |
| C6 | C2 | C1 | 128.6° | 126.6° |
| C15 | C14 | N2 | 113.3° | 109.5° |
| C15 | C14 | H18 | 108.5° | 109.5° |
| C15 | C14 | H17 | 108.5° | 109.5° |
| C14 | C15 | H19 | 106.7° | 109.4° |
| C13 | N2 | C14 | 129.6° | 125.9° |
| N2 | C13 | H16 | 127.0° | 126.9° |
| N2 | C14 | H18 | 108.5° | 109.5° |
| N2 | C14 | H17 | 108.5° | 109.5° |
| C5 | C4 | C3 | 128.2° | 125.5° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| C4 | C5 | H6 | 109.4° | 109.5° |
| C4 | C5 | H7 | 109.4° | 109.4° |
| C4 | C3 | C2 | 107.7° | 107.4° |
| C4 | C3 | H4 | 126.2° | 126.3° |
| C3 | C2 | C1 | 123.1° | 126.7° |
| C2 | C3 | H4 | 126.1° | 126.3° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H10 | C9 | H11 | 109.4° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H18 | C14 | H17 | 109.5° | 109.4° |
| H27 | C19 | H26 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.4° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.4° |
| H35 | C26 | H34 | 109.5° | 109.5° |
| H36 | C26 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | N5 | 178.8° | 180.0° |
| C26 | C25 | C24 | C22 | 178.7° | 180.0° |
| C26 | C25 | N5 | C21 | 179.7° | 180.0° |
| C26 | C25 | N5 | B1 | 3.6° | 0.4° |
| C26 | C25 | C24 | H33 | 1.3° | 0.0° |
| C25 | C26 | H35 | H36 | 120.0° | 120.0° |
| C25 | C26 | H35 | H34 | 120.0° | 120.1° |
| C25 | C26 | H36 | H34 | 120.0° | 120.0° |
| C25 | C24 | C22 | H33 | 180.0° | 180.0° |
| C25 | C24 | C22 | C23 | 179.3° | 180.0° |
| C25 | C24 | C22 | C21 | 1.5° | 0.0° |
| C24 | C25 | N5 | C21 | 1.4° | 0.0° |
| C24 | C25 | N5 | B1 | 177.6° | 179.6° |
| C24 | C25 | C26 | H35 | 90.7° | 90.0° |
| C24 | C25 | C26 | H36 | 149.2° | 150.1° |
| C24 | C25 | C26 | H34 | 29.3° | 30.1° |
| C22 | C24 | C25 | N5 | 0.0° | 0.0° |
| C24 | C22 | C23 | C21 | 179.0° | 180.0° |
| C24 | C22 | C21 | N5 | 2.3° | 0.0° |
| C24 | C22 | C21 | C7 | 174.2° | 179.9° |
| C24 | C22 | C23 | H30 | 90.5° | 95.9° |
| C24 | C22 | C23 | H31 | 149.5° | 24.2° |
| C24 | C22 | C23 | H32 | 29.6° | 144.1° |
| C25 | N5 | C21 | C22 | 2.3° | 0.0° |
| C25 | N5 | C21 | B1 | 176.2° | 179.6° |
| C25 | N5 | C21 | C7 | 175.4° | 180.0° |
| C25 | N5 | B1 | F2 | 63.5° | 58.0° |
| C25 | N5 | B1 | F1 | 55.8° | 58.1° |
| C25 | N5 | B1 | N1 | 179.3° | 179.7° |
| N5 | C25 | C24 | H33 | 180.0° | 180.0° |
| N5 | C25 | C26 | H35 | 90.7° | 90.0° |
| N5 | C25 | C26 | H36 | 29.3° | 29.9° |
| N5 | C25 | C26 | H34 | 149.3° | 149.9° |
| C23 | C22 | C21 | N5 | 178.5° | 180.0° |
| C23 | C22 | C21 | C7 | 6.6° | 0.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H32 | 120.0° | 119.9° |
| C22 | C23 | H31 | H32 | 120.0° | 119.9° |
| C23 | C22 | C24 | H33 | 0.7° | 0.0° |
| C22 | C21 | N5 | C7 | 173.1° | 179.9° |
| C22 | C21 | N5 | B1 | 178.6° | 179.6° |
| C22 | C21 | C7 | C8 | 19.7° | 0.0° |
| C22 | C21 | C7 | C6 | 177.1° | 180.0° |
| C21 | C22 | C23 | H30 | 90.5° | 84.1° |
| C21 | C22 | C23 | H31 | 29.5° | 155.8° |
| C21 | C22 | C23 | H32 | 149.5° | 35.9° |
| C21 | C22 | C24 | H33 | 178.6° | 180.0° |
| O3 | C18 | C17 | O2 | 53.5° | 60.0° |
| O3 | C18 | C17 | C19 | 124.2° | 120.0° |
| O3 | C18 | C17 | H24 | 119.0° | 120.1° |
| O3 | C18 | C19 | H24 | 119.5° | 120.0° |
| O3 | C18 | C17 | C16 | 176.4° | 180.0° |
| O3 | C18 | C19 | C20 | 170.4° | 180.0° |
| O3 | C18 | C17 | H22 | 65.4° | 59.9° |
| O3 | C18 | C19 | H27 | 50.8° | 60.0° |
| O3 | C18 | C19 | H26 | 70.0° | 60.0° |
| O2 | C17 | C18 | C16 | 122.8° | 120.0° |
| O2 | C17 | C18 | H22 | 119.0° | 119.9° |
| O2 | C17 | C18 | C19 | 177.7° | 180.0° |
| O2 | C17 | C16 | H22 | 121.5° | 119.9° |
| O2 | C17 | C16 | O1 | 63.5° | 60.0° |
| O2 | C17 | C16 | C15 | 173.4° | 180.0° |
| O2 | C17 | C16 | H20 | 55.3° | 60.1° |
| O2 | C17 | C18 | H24 | 65.5° | 60.0° |
| C21 | N5 | B1 | F2 | 112.1° | 122.5° |
| C21 | N5 | B1 | F1 | 128.6° | 121.4° |
| C21 | N5 | B1 | N1 | 5.1° | 0.8° |
| N5 | C21 | C7 | C8 | 151.3° | 179.9° |
| N5 | C21 | C7 | C6 | 11.9° | 0.1° |
| B1 | N5 | C21 | C7 | 8.3° | 0.4° |
| N5 | B1 | F2 | F1 | 121.2° | 116.2° |
| N5 | B1 | F2 | N1 | 116.8° | 127.5° |
| N5 | B1 | F1 | N1 | 120.9° | 127.8° |
| N5 | B1 | N1 | C6 | 6.5° | 0.7° |
| N5 | B1 | N1 | C4 | 174.0° | 179.7° |
| C17 | C18 | C19 | H24 | 116.7° | 120.0° |
| C18 | C17 | C16 | H22 | 118.2° | 120.1° |
| C17 | C18 | C19 | C20 | 65.8° | 60.0° |
| C18 | C17 | C16 | O1 | 176.1° | 180.0° |
| C18 | C17 | C16 | C15 | 53.0° | 60.0° |
| C18 | C17 | C16 | H20 | 65.1° | 59.9° |
| C18 | C17 | O2 | H23 | 180.0° | 60.0° |
| C17 | C18 | O3 | H25 | 180.0° | 180.0° |
| C17 | C18 | C19 | H27 | 174.6° | 180.0° |
| C17 | C18 | C19 | H26 | 53.8° | 60.0° |
| C19 | C18 | C17 | C16 | 59.4° | 60.0° |
| C18 | C19 | C20 | O4 | 57.3° | 60.0° |
| C18 | C19 | C20 | H27 | 119.6° | 120.0° |
| C18 | C19 | C20 | H26 | 119.6° | 120.0° |
| C18 | C19 | C20 | C15 | 65.4° | 60.0° |
| C19 | C18 | C17 | H22 | 58.8° | 60.0° |
| C19 | C18 | O3 | H25 | 57.0° | 60.0° |
| C18 | C19 | H27 | H26 | 121.2° | 120.0° |
| C18 | C19 | C20 | H28 | 177.0° | 180.0° |
| C21 | C7 | C8 | C6 | 163.1° | 180.0° |
| C21 | C7 | C8 | C9 | 107.5° | 86.9° |
| C21 | C7 | C6 | N1 | 13.4° | 0.1° |
| C21 | C7 | C6 | C2 | 177.2° | 179.5° |
| C21 | C7 | C8 | H8 | 13.7° | 153.1° |
| C21 | C7 | C8 | H9 | 131.2° | 33.0° |
| C17 | C16 | O1 | C15 | 123.8° | 120.0° |
| C17 | C16 | O1 | H20 | 118.1° | 120.1° |
| C17 | C16 | C15 | H20 | 118.1° | 120.0° |
| C17 | C16 | C15 | C20 | 53.7° | 60.0° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C17 | C16 | C15 | H19 | 61.7° | 60.0° |
| C17 | C16 | O1 | H21 | 180.0° | 60.1° |
| C16 | C17 | O2 | H23 | 58.8° | 180.0° |
| C16 | C17 | C18 | H24 | 57.3° | 59.9° |
| F2 | B1 | F1 | N1 | 119.5° | 116.0° |
| F2 | B1 | N1 | C6 | 111.0° | 122.6° |
| F2 | B1 | N1 | C4 | 68.5° | 57.9° |
| F1 | B1 | N1 | C6 | 129.5° | 121.4° |
| F1 | B1 | N1 | C4 | 51.0° | 58.1° |
| B1 | N1 | C6 | C7 | 11.2° | 0.4° |
| B1 | N1 | C6 | C4 | 179.5° | 179.6° |
| B1 | N1 | C6 | C2 | 176.7° | 180.0° |
| B1 | N1 | C4 | C5 | 0.6° | 0.2° |
| B1 | N1 | C4 | C3 | 179.0° | 179.8° |
| O4 | C20 | C19 | C15 | 122.7° | 120.0° |
| O4 | C20 | C19 | H28 | 119.7° | 119.9° |
| O4 | C20 | C15 | C16 | 61.4° | 60.0° |
| O4 | C20 | C15 | H28 | 121.0° | 120.0° |
| O4 | C20 | C15 | C14 | 67.1° | 60.0° |
| O4 | C20 | C15 | H19 | 176.8° | 180.0° |
| O4 | C20 | C19 | H27 | 62.3° | 60.0° |
| O4 | C20 | C19 | H26 | 177.0° | 180.0° |
| C19 | C20 | C15 | C16 | 59.9° | 60.0° |
| C19 | C20 | C15 | H28 | 117.7° | 120.0° |
| C19 | C20 | C15 | C14 | 171.6° | 180.0° |
| C19 | C20 | C15 | H19 | 55.5° | 60.0° |
| C20 | C19 | C18 | H24 | 50.9° | 60.0° |
| C20 | C19 | H27 | H26 | 121.1° | 120.0° |
| C19 | C20 | O4 | H29 | 180.0° | 60.0° |
| O1 | C16 | C15 | H20 | 118.8° | 120.0° |
| O1 | C16 | C15 | C20 | 176.8° | 180.0° |
| O1 | C16 | C15 | C14 | 56.4° | 60.0° |
| O1 | C16 | C15 | H19 | 61.4° | 60.0° |
| O1 | C16 | C17 | H22 | 58.0° | 59.9° |
| C16 | C15 | C20 | C14 | 128.5° | 120.0° |
| C16 | C15 | C20 | H19 | 115.4° | 120.0° |
| C16 | C15 | C14 | H19 | 117.6° | 120.0° |
| C16 | C15 | C14 | N2 | 80.1° | 175.0° |
| C16 | C15 | C14 | H18 | 159.3° | 65.0° |
| C16 | C15 | C14 | H17 | 40.4° | 55.0° |
| C15 | C16 | O1 | H21 | 56.1° | 180.0° |
| C15 | C16 | C17 | H22 | 65.2° | 60.1° |
| C16 | C15 | C20 | H28 | 177.6° | 180.0° |
| C7 | C8 | C9 | H8 | 121.2° | 120.0° |
| C7 | C8 | C9 | H9 | 121.3° | 119.9° |
| C7 | C8 | C9 | C10 | 155.9° | 180.0° |
| C8 | C7 | C6 | N1 | 149.5° | 180.0° |
| C8 | C7 | C6 | C2 | 19.9° | 0.5° |
| C7 | C8 | H8 | H9 | 116.1° | 120.0° |
| C7 | C8 | C9 | H10 | 82.9° | 60.0° |
| C7 | C8 | C9 | H11 | 34.7° | 60.1° |
| C6 | C7 | C8 | C9 | 89.4° | 93.1° |
| C7 | C6 | N1 | C2 | 172.1° | 179.6° |
| C7 | C6 | N1 | C4 | 169.3° | 180.0° |
| C7 | C6 | C2 | C3 | 166.5° | 179.9° |
| C7 | C6 | C2 | C1 | 10.1° | 0.4° |
| C6 | C7 | C8 | H8 | 149.4° | 26.9° |
| C6 | C7 | C8 | H9 | 31.9° | 147.0° |
| C8 | C9 | C10 | H10 | 121.2° | 120.0° |
| C8 | C9 | C10 | H11 | 121.2° | 119.9° |
| C8 | C9 | C10 | C11 | 36.5° | 180.0° |
| C9 | C8 | H8 | H9 | 116.1° | 120.0° |
| C8 | C9 | H10 | H11 | 116.2° | 120.0° |
| C8 | C9 | C10 | H12 | 157.7° | 59.9° |
| C8 | C9 | C10 | H13 | 84.6° | 60.0° |
| N3 | N4 | C12 | C11 | 179.1° | 179.8° |
| N3 | N4 | C12 | C13 | 0.0° | 0.5° |
| N4 | N3 | N2 | C13 | 1.1° | 0.3° |
| N4 | N3 | N2 | C14 | 178.0° | 179.7° |
| N4 | C12 | C11 | C10 | 132.0° | 55.3° |
| C12 | N4 | N3 | N2 | 0.7° | 0.5° |
| N4 | C12 | C11 | C13 | 178.9° | 179.6° |
| N4 | C12 | C13 | N2 | 0.7° | 0.3° |
| N4 | C12 | C11 | H14 | 11.3° | 175.4° |
| N4 | C12 | C11 | H15 | 107.4° | 64.6° |
| N4 | C12 | C13 | H16 | 179.3° | 179.8° |
| C9 | C10 | C11 | H12 | 121.2° | 120.1° |
| C9 | C10 | C11 | H13 | 121.2° | 119.9° |
| C9 | C10 | C11 | C12 | 161.8° | 180.0° |
| C10 | C9 | C8 | H8 | 34.6° | 60.0° |
| C10 | C9 | C8 | H9 | 82.9° | 60.1° |
| C10 | C9 | H10 | H11 | 116.1° | 120.0° |
| C9 | C10 | H12 | H13 | 116.3° | 119.9° |
| C9 | C10 | C11 | H14 | 77.5° | 60.0° |
| C9 | C10 | C11 | H15 | 41.2° | 60.1° |
| C10 | C11 | C12 | H14 | 120.7° | 120.0° |
| C10 | C11 | C12 | H15 | 120.6° | 119.9° |
| C10 | C11 | C12 | C13 | 49.1° | 125.1° |
| C11 | C10 | C9 | H10 | 84.7° | 59.9° |
| C11 | C10 | C9 | H11 | 157.8° | 60.1° |
| C11 | C10 | H12 | H13 | 116.3° | 120.0° |
| C10 | C11 | H14 | H15 | 118.0° | 120.0° |
| C20 | C15 | C14 | H19 | 116.1° | 120.0° |
| C20 | C15 | C14 | N2 | 46.1° | 65.0° |
| C20 | C15 | C14 | H18 | 74.4° | 55.0° |
| C20 | C15 | C14 | H17 | 166.7° | 175.0° |
| C20 | C15 | C16 | H20 | 64.4° | 60.0° |
| C15 | C20 | C19 | H27 | 175.0° | 180.0° |
| C15 | C20 | C19 | H26 | 54.2° | 60.0° |
| C15 | C20 | O4 | H29 | 59.4° | 180.0° |
| N3 | N2 | C13 | C12 | 1.1° | 0.0° |
| N3 | N2 | C14 | C15 | 85.2° | 55.0° |
| N3 | N2 | C13 | C14 | 179.1° | 180.0° |
| N3 | N2 | C13 | H16 | 178.9° | 180.0° |
| N3 | N2 | C14 | H18 | 154.2° | 65.0° |
| N3 | N2 | C14 | H17 | 35.4° | 175.0° |
| C11 | C12 | C13 | N2 | 179.7° | 180.0° |
| C12 | C11 | C10 | H12 | 40.6° | 59.9° |
| C12 | C11 | C10 | H13 | 77.0° | 60.0° |
| C12 | C11 | H14 | H15 | 118.0° | 120.0° |
| C11 | C12 | C13 | H16 | 0.3° | 0.1° |
| C6 | N1 | C4 | C5 | 179.9° | 179.7° |
| C6 | N1 | C4 | C3 | 0.5° | 0.2° |
| N1 | C6 | C2 | C3 | 4.1° | 0.4° |
| N1 | C6 | C2 | C1 | 179.2° | 179.9° |
| C4 | N1 | C6 | C2 | 2.9° | 0.4° |
| N1 | C4 | C5 | C3 | 179.5° | 179.9° |
| N1 | C4 | C3 | C2 | 2.2° | 0.0° |
| N1 | C4 | C3 | H4 | 177.8° | 180.0° |
| N1 | C4 | C5 | H5 | 180.0° | 180.0° |
| N1 | C4 | C5 | H6 | 60.0° | 60.0° |
| N1 | C4 | C5 | H7 | 60.0° | 60.0° |
| C12 | C13 | N2 | H16 | 180.0° | 179.9° |
| C12 | C13 | N2 | C14 | 177.9° | 180.0° |
| C13 | C12 | C11 | H14 | 169.8° | 5.0° |
| C13 | C12 | C11 | H15 | 71.5° | 115.0° |
| C6 | C2 | C3 | C4 | 3.9° | 0.2° |
| C6 | C2 | C3 | C1 | 176.9° | 179.7° |
| C6 | C2 | C1 | H1 | 180.0° | 179.7° |
| C6 | C2 | C1 | H2 | 60.0° | 60.3° |
| C6 | C2 | C1 | H3 | 60.0° | 59.7° |
| C6 | C2 | C3 | H4 | 176.1° | 179.8° |
| C15 | C14 | N2 | C13 | 93.8° | 125.0° |
| C15 | C14 | N2 | H18 | 120.6° | 120.0° |
| C15 | C14 | N2 | H17 | 120.6° | 120.0° |
| C15 | C14 | H18 | H17 | 118.2° | 120.0° |
| C14 | C15 | C16 | H20 | 62.4° | 60.0° |
| C14 | C15 | C20 | H28 | 53.9° | 60.0° |
| C13 | N2 | C14 | H18 | 26.8° | 115.0° |
| C13 | N2 | C14 | H17 | 145.7° | 5.0° |
| C14 | N2 | C13 | H16 | 2.0° | 0.1° |
| N2 | C14 | H18 | H17 | 118.2° | 120.0° |
| N2 | C14 | C15 | H19 | 162.2° | 55.0° |
| C5 | C4 | C3 | C2 | 177.4° | 180.0° |
| C5 | C4 | C3 | H4 | 2.6° | 0.1° |
| C4 | C5 | H5 | H6 | 120.0° | 120.0° |
| C4 | C5 | H5 | H7 | 120.0° | 119.9° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.2° | 179.9° |
| C3 | C4 | C5 | H5 | 0.5° | 0.1° |
| C3 | C4 | C5 | H6 | 120.5° | 120.0° |
| C3 | C4 | C5 | H7 | 119.5° | 120.0° |
| C3 | C2 | C1 | H1 | 3.8° | 0.1° |
| C3 | C2 | C1 | H2 | 123.8° | 120.0° |
| C3 | C2 | C1 | H3 | 116.2° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.8° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | C9 | H10 | 155.9° | 180.0° |
| H8 | C8 | C9 | H11 | 86.6° | 59.9° |
| H9 | C8 | C9 | H10 | 38.4° | 59.9° |
| H9 | C8 | C9 | H11 | 155.9° | 180.0° |
| H10 | C9 | C10 | H12 | 36.5° | 180.0° |
| H10 | C9 | C10 | H13 | 154.1° | 60.0° |
| H11 | C9 | C10 | H12 | 81.0° | 60.0° |
| H11 | C9 | C10 | H13 | 36.6° | 180.0° |
| H12 | C10 | C11 | H14 | 161.3° | 180.0° |
| H12 | C10 | C11 | H15 | 80.0° | 60.0° |
| H13 | C10 | C11 | H14 | 43.7° | 60.0° |
| H13 | C10 | C11 | H15 | 162.4° | 180.0° |
| H18 | C14 | C15 | H19 | 41.6° | 175.0° |
| H17 | C14 | C15 | H19 | 77.2° | 65.0° |
| H19 | C15 | C16 | H20 | 179.9° | 180.0° |
| H19 | C15 | C20 | H28 | 62.2° | 60.0° |
| H20 | C16 | O1 | H21 | 61.9° | 60.0° |
| H20 | C16 | C17 | H22 | 176.8° | NaN° |
| H22 | C17 | O2 | H23 | 61.9° | 60.0° |
| H22 | C17 | C18 | H24 | 175.6° | 180.0° |
| H24 | C18 | O3 | H25 | 61.8° | 60.0° |
| H24 | C18 | C19 | H27 | 68.7° | 60.0° |
| H24 | C18 | C19 | H26 | 170.5° | 180.0° |
| H27 | C19 | C20 | H28 | 57.4° | 60.0° |
| H26 | C19 | C20 | H28 | 63.3° | 60.0° |
| H28 | C20 | O4 | H29 | 60.9° | 60.0° |
| H30 | C23 | H31 | H32 | 120.0° | 120.0° |
| H35 | C26 | H36 | H34 | 120.0° | 120.0° |
