WU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.45Å | 1.44Å | Aromatic |
| C5 | C15 | doub | 1.42Å | 1.41Å | Aromatic |
| C16 | C4 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | sing | 1.52Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.35Å | 1.37Å | Aromatic |
| C27 | C17 | sing | 1.53Å | 1.53Å | |
| C27 | N2 | sing | 1.47Å | 1.47Å | |
| C9 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C15 | N | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.54Å | 1.55Å | |
| C17 | N1 | sing | 1.48Å | 1.48Å | |
| C3 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C18 | C1 | sing | 1.54Å | 1.56Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.31Å | 1.33Å | |
| N2 | C24 | sing | 1.47Å | 1.48Å | |
| N2 | C20 | sing | 1.47Å | 1.48Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| N1 | C26 | sing | 1.38Å | 1.34Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | C26 | sing | 1.52Å | 1.54Å | |
| C20 | C21 | sing | 1.52Å | 1.54Å | |
| C26 | O | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.5° | 122.1° |
| C7 | C6 | C5 | 119.7° | 116.9° |
| C6 | C7 | H2 | 119.7° | 118.9° |
| C7 | C6 | H5 | 120.1° | 121.5° |
| C7 | C8 | C9 | 121.2° | 122.2° |
| C8 | C7 | H2 | 119.7° | 119.0° |
| C7 | C8 | H3 | 119.4° | 118.8° |
| C6 | C5 | C4 | 133.9° | 132.8° |
| C6 | C5 | C15 | 119.5° | 121.3° |
| C5 | C6 | H5 | 120.2° | 121.6° |
| C8 | C9 | C15 | 118.1° | 116.9° |
| C8 | C9 | C10 | 119.4° | 121.5° |
| C9 | C8 | H3 | 119.4° | 118.9° |
| C4 | C5 | C15 | 106.6° | 106.0° |
| C5 | C4 | C16 | 129.6° | 128.6° |
| C5 | C4 | C3 | 106.9° | 107.2° |
| C5 | C15 | C9 | 120.8° | 120.6° |
| C5 | C15 | N | 107.6° | 107.3° |
| C4 | C16 | C17 | 111.0° | 109.5° |
| C16 | C4 | C3 | 123.5° | 124.3° |
| C4 | C16 | H22 | 109.1° | 109.4° |
| C4 | C16 | H23 | 109.1° | 109.5° |
| C16 | C17 | C27 | 108.8° | 109.8° |
| C16 | C17 | C18 | 110.0° | 110.8° |
| C16 | C17 | N1 | 118.7° | 110.8° |
| C17 | C16 | H22 | 109.1° | 109.4° |
| C17 | C16 | H23 | 109.1° | 109.5° |
| C25 | C24 | N2 | 113.1° | 109.4° |
| C25 | C24 | C23 | 112.2° | 109.4° |
| C25 | C24 | H33 | 106.8° | 109.3° |
| C24 | C25 | H34 | 109.5° | 109.4° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C4 | C3 | N | 109.8° | 109.8° |
| C4 | C3 | C1 | 127.4° | 123.8° |
| C17 | C27 | N2 | 110.4° | 110.0° |
| C27 | C17 | C18 | 106.6° | 108.4° |
| C27 | C17 | N1 | 105.3° | 109.0° |
| C17 | C27 | H37 | 109.3° | 109.4° |
| C17 | C27 | H38 | 109.2° | 109.4° |
| C27 | N2 | C24 | 111.5° | 109.9° |
| C27 | N2 | C20 | 112.2° | 110.6° |
| N2 | C27 | H37 | 109.2° | 109.4° |
| N2 | C27 | H38 | 109.3° | 109.4° |
| C15 | C9 | C10 | 122.1° | 121.5° |
| C9 | C15 | N | 131.5° | 132.1° |
| C9 | C10 | C11 | 114.4° | 109.5° |
| C9 | C10 | H13 | 108.2° | 109.5° |
| C9 | C10 | H14 | 108.2° | 109.5° |
| C15 | N | C3 | 109.1° | 109.8° |
| C15 | N | H9 | 125.5° | 125.1° |
| C18 | C17 | N1 | 106.7° | 107.9° |
| C17 | C18 | C1 | 118.0° | 109.3° |
| C17 | C18 | C19 | 110.4° | 107.9° |
| C17 | C18 | H24 | 104.5° | 110.3° |
| C17 | N1 | C26 | 118.0° | 112.4° |
| C17 | N1 | H1 | 121.0° | 123.8° |
| N | C3 | C1 | 122.7° | 126.5° |
| C3 | N | H9 | 125.5° | 125.1° |
| C3 | C1 | C18 | 106.7° | 109.3° |
| C3 | C1 | C | 109.5° | 109.5° |
| C3 | C1 | C2 | 110.4° | 109.5° |
| C1 | C18 | C19 | 113.2° | 107.7° |
| C18 | C1 | C | 111.3° | 109.5° |
| C18 | C1 | C2 | 111.1° | 109.5° |
| C1 | C18 | H24 | 104.5° | 110.3° |
| C18 | C19 | C20 | 108.5° | 109.2° |
| C19 | C18 | H24 | 104.7° | 111.2° |
| C18 | C19 | H25 | 109.7° | 109.5° |
| C18 | C19 | H26 | 109.7° | 109.5° |
| C10 | C11 | C12 | 128.2° | 120.0° |
| C11 | C10 | H13 | 108.2° | 109.5° |
| C11 | C10 | H14 | 108.2° | 109.5° |
| C10 | C11 | H15 | 115.9° | 120.0° |
| C11 | C12 | C14 | 120.3° | 120.0° |
| C11 | C12 | C13 | 125.6° | 120.0° |
| C12 | C11 | H15 | 115.9° | 119.9° |
| C24 | N2 | C20 | 115.4° | 111.3° |
| N2 | C24 | C23 | 110.2° | 109.9° |
| N2 | C24 | H33 | 107.4° | 109.4° |
| N2 | C20 | C19 | 107.4° | 109.1° |
| N2 | C20 | C26 | 106.6° | 107.7° |
| N2 | C20 | C21 | 110.1° | 111.3° |
| C | C1 | C2 | 107.8° | 109.6° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C24 | C23 | C22 | 112.1° | 109.0° |
| C24 | C23 | H31 | 108.8° | 109.6° |
| C24 | C23 | H32 | 108.8° | 109.7° |
| C23 | C24 | H33 | 106.7° | 109.3° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C19 | C20 | C26 | 109.4° | 108.3° |
| C19 | C20 | C21 | 110.7° | 110.1° |
| C20 | C19 | H25 | 109.7° | 109.5° |
| C20 | C19 | H26 | 109.7° | 109.6° |
| C14 | C12 | C13 | 114.1° | 120.0° |
| C12 | C14 | H19 | 109.5° | 109.4° |
| C12 | C14 | H20 | 109.5° | 109.5° |
| C12 | C14 | H21 | 109.4° | 109.5° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.4° | 109.5° |
| C12 | C13 | H18 | 109.4° | 109.5° |
| N1 | C26 | C20 | 110.2° | 112.4° |
| N1 | C26 | O | 124.3° | 123.8° |
| C26 | N1 | H1 | 121.0° | 123.9° |
| C23 | C22 | C21 | 110.4° | 108.8° |
| C23 | C22 | H29 | 109.2° | 109.6° |
| C23 | C22 | H30 | 109.2° | 109.7° |
| C22 | C23 | H31 | 108.8° | 109.5° |
| C22 | C23 | H32 | 108.8° | 109.5° |
| C26 | C20 | C21 | 112.5° | 110.2° |
| C20 | C26 | O | 125.4° | 123.8° |
| C20 | C21 | C22 | 113.2° | 110.0° |
| C20 | C21 | H27 | 108.5° | 109.3° |
| C20 | C21 | H28 | 108.5° | 109.4° |
| C22 | C21 | H27 | 108.5° | 109.4° |
| C22 | C21 | H28 | 108.5° | 109.4° |
| C21 | C22 | H29 | 109.2° | 109.6° |
| C21 | C22 | H30 | 109.2° | 109.6° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H6 | C2 | H8 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H18 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.6° |
| H27 | C21 | H28 | 109.5° | 109.3° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H36 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.4° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C7 | C6 | C5 | C4 | 176.8° | 179.9° |
| C7 | C6 | C5 | C15 | 1.7° | 0.2° |
| C6 | C7 | C8 | H3 | 179.8° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C15 | 1.9° | 0.1° |
| C7 | C8 | C9 | C10 | 170.6° | 180.0° |
| C8 | C7 | C6 | H5 | 179.7° | 180.0° |
| C6 | C5 | C4 | C15 | 178.6° | 179.9° |
| C6 | C5 | C4 | C16 | 1.9° | 0.5° |
| C6 | C5 | C4 | C3 | 178.7° | 179.8° |
| C6 | C5 | C15 | C9 | 3.8° | 0.2° |
| C6 | C5 | C15 | N | 179.8° | 179.8° |
| C5 | C6 | C7 | H2 | 179.7° | 179.9° |
| C8 | C9 | C15 | C5 | 3.9° | 0.1° |
| C8 | C9 | C15 | C10 | 172.3° | 180.0° |
| C8 | C9 | C15 | N | 179.2° | 179.9° |
| C8 | C9 | C10 | C11 | 142.0° | 95.0° |
| C9 | C8 | C7 | H2 | 179.8° | 180.0° |
| C8 | C9 | C10 | H13 | 21.3° | 25.0° |
| C8 | C9 | C10 | H14 | 97.2° | 145.0° |
| C5 | C4 | C16 | C3 | 179.3° | 179.6° |
| C5 | C4 | C16 | C17 | 157.9° | 165.4° |
| C4 | C5 | C15 | C9 | 175.0° | 179.8° |
| C4 | C5 | C15 | N | 1.3° | 0.1° |
| C5 | C4 | C3 | N | 1.1° | 0.1° |
| C5 | C4 | C3 | C1 | 176.1° | 179.9° |
| C4 | C5 | C6 | H5 | 3.2° | 0.1° |
| C5 | C4 | C16 | H22 | 37.7° | 45.5° |
| C5 | C4 | C16 | H23 | 81.9° | 74.6° |
| C15 | C5 | C4 | C16 | 179.5° | 179.6° |
| C15 | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C15 | C9 | N | 175.3° | 179.9° |
| C5 | C15 | C9 | C10 | 168.4° | 179.9° |
| C5 | C15 | N | C3 | 2.0° | 0.1° |
| C15 | C5 | C6 | H5 | 178.3° | 179.9° |
| C5 | C15 | N | H9 | 178.0° | 179.8° |
| C4 | C16 | C17 | H22 | 120.2° | 119.9° |
| C4 | C16 | C17 | H23 | 120.2° | 120.1° |
| C4 | C16 | C17 | C27 | 162.0° | 167.0° |
| C4 | C16 | C17 | C18 | 45.6° | 47.2° |
| C4 | C16 | C17 | N1 | 77.7° | 72.6° |
| C16 | C4 | C3 | N | 178.3° | 179.6° |
| C16 | C4 | C3 | C1 | 4.5° | 0.4° |
| C4 | C16 | H22 | H23 | 119.3° | 120.1° |
| C17 | C16 | C4 | C3 | 22.9° | 15.0° |
| C16 | C17 | C27 | C18 | 118.6° | 121.2° |
| C16 | C17 | C27 | N1 | 128.3° | 121.5° |
| C16 | C17 | C27 | N2 | 178.3° | 174.7° |
| C16 | C17 | C18 | N1 | 130.0° | 121.5° |
| C16 | C17 | C18 | C1 | 56.8° | 67.2° |
| C16 | C17 | C18 | C19 | 170.8° | 175.9° |
| C16 | C17 | N1 | C26 | 177.5° | 178.9° |
| C16 | C17 | N1 | H1 | 2.5° | 1.3° |
| C17 | C16 | H22 | H23 | 119.3° | 120.0° |
| C16 | C17 | C18 | H24 | 58.7° | 54.2° |
| C16 | C17 | C27 | H37 | 58.2° | 65.1° |
| C16 | C17 | C27 | H38 | 61.5° | 54.5° |
| C25 | C24 | N2 | C27 | 48.3° | 57.0° |
| C25 | C24 | N2 | C23 | 126.5° | 120.1° |
| C25 | C24 | N2 | H33 | 117.6° | 119.8° |
| C25 | C24 | N2 | C20 | 177.8° | 179.8° |
| C25 | C24 | C23 | H33 | 116.7° | 119.7° |
| C25 | C24 | C23 | C22 | 178.2° | 179.5° |
| C25 | C24 | C23 | H31 | 57.8° | 60.6° |
| C25 | C24 | C23 | H32 | 61.4° | 59.6° |
| C24 | C25 | H34 | H35 | 120.0° | 120.0° |
| C24 | C25 | H34 | H36 | 120.0° | 120.0° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C4 | C3 | N | C15 | 2.0° | 0.0° |
| C4 | C3 | N | C1 | 177.4° | 180.0° |
| C4 | C3 | C1 | C18 | 10.0° | 18.0° |
| C4 | C3 | C1 | C | 130.6° | 137.9° |
| C4 | C3 | C1 | C2 | 110.9° | 101.9° |
| C4 | C3 | N | H9 | 178.0° | 179.9° |
| C3 | C4 | C16 | H22 | 143.1° | 134.9° |
| C3 | C4 | C16 | H23 | 97.4° | 105.1° |
| C17 | C27 | N2 | H37 | 120.2° | 120.2° |
| C17 | C27 | N2 | H38 | 120.1° | 120.2° |
| C27 | C17 | C18 | N1 | 112.1° | 117.9° |
| C27 | C17 | C18 | C1 | 174.6° | 172.2° |
| C27 | C17 | C18 | C19 | 52.9° | 55.3° |
| C17 | C27 | N2 | C24 | 124.1° | 117.6° |
| C17 | C27 | N2 | C20 | 7.1° | 5.7° |
| C27 | C17 | N1 | C26 | 60.4° | 58.0° |
| C27 | C17 | N1 | H1 | 119.6° | 122.3° |
| C27 | C17 | C16 | H22 | 77.8° | 73.1° |
| C27 | C17 | C16 | H23 | 41.8° | 46.9° |
| C27 | C17 | C18 | H24 | 59.1° | 66.4° |
| C17 | C27 | H37 | H38 | 119.6° | 119.7° |
| N2 | C27 | C17 | C18 | 63.0° | 64.1° |
| N2 | C27 | C17 | N1 | 50.1° | 53.2° |
| C27 | N2 | C24 | C20 | 129.6° | 122.8° |
| C27 | N2 | C24 | C23 | 174.8° | 177.1° |
| C27 | N2 | C20 | C19 | 56.8° | 57.5° |
| C27 | N2 | C20 | C26 | 60.3° | 59.9° |
| C27 | N2 | C20 | C21 | 177.4° | 179.2° |
| C27 | N2 | C24 | H33 | 69.3° | 62.8° |
| N2 | C27 | H37 | H38 | 119.6° | 119.7° |
| C9 | C15 | N | C3 | 173.8° | 179.9° |
| C15 | C9 | C10 | C11 | 45.8° | 85.0° |
| C15 | C9 | C8 | H3 | 178.1° | 180.0° |
| C9 | C15 | N | H9 | 6.2° | 0.2° |
| C15 | C9 | C10 | H13 | 166.5° | 155.0° |
| C15 | C9 | C10 | H14 | 74.9° | 35.0° |
| C10 | C9 | C15 | N | 6.9° | 0.1° |
| C9 | C10 | C11 | H13 | 120.7° | 120.0° |
| C9 | C10 | C11 | H14 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 121.0° | 123.6° |
| C10 | C9 | C8 | H3 | 9.4° | 0.0° |
| C9 | C10 | H13 | H14 | 117.7° | 120.0° |
| C9 | C10 | C11 | H15 | 59.0° | 56.3° |
| C15 | N | C3 | H9 | 180.0° | 179.9° |
| C15 | N | C3 | C1 | 175.4° | 179.9° |
| C17 | C18 | C1 | C3 | 36.4° | 49.3° |
| C17 | C18 | C1 | C19 | 131.2° | 117.0° |
| C17 | C18 | C1 | H24 | 115.5° | 121.4° |
| C17 | C18 | C19 | H24 | 112.0° | 121.1° |
| C17 | C18 | C1 | C | 155.8° | 169.3° |
| C17 | C18 | C1 | C2 | 84.0° | 70.6° |
| C17 | C18 | C19 | C20 | 8.2° | 5.7° |
| C18 | C17 | N1 | C26 | 52.7° | 59.6° |
| C18 | C17 | N1 | H1 | 127.3° | 120.2° |
| C18 | C17 | C16 | H22 | 165.8° | 167.1° |
| C18 | C17 | C16 | H23 | 74.7° | 72.9° |
| C17 | C18 | C19 | H25 | 111.7° | 114.2° |
| C17 | C18 | C19 | H26 | 128.1° | 125.7° |
| C18 | C17 | C27 | H37 | 176.8° | 56.1° |
| C18 | C17 | C27 | H38 | 57.1° | 175.7° |
| N1 | C17 | C18 | C1 | 73.2° | 54.2° |
| N1 | C17 | C18 | C19 | 59.2° | 62.6° |
| C17 | N1 | C26 | H1 | 180.0° | 179.8° |
| C17 | N1 | C26 | C20 | 7.1° | 2.6° |
| C17 | N1 | C26 | O | 171.1° | 177.3° |
| N1 | C17 | C16 | H22 | 42.6° | 47.3° |
| N1 | C17 | C16 | H23 | 162.1° | 167.4° |
| N1 | C17 | C18 | H24 | 171.3° | 175.7° |
| N1 | C17 | C27 | H37 | 70.1° | 173.3° |
| N1 | C17 | C27 | H38 | 170.2° | 67.0° |
| N | C3 | C1 | C18 | 173.1° | 162.1° |
| N | C3 | C1 | C | 52.5° | 42.1° |
| N | C3 | C1 | C2 | 66.0° | 78.0° |
| C3 | C1 | C18 | C | 119.4° | 119.9° |
| C3 | C1 | C18 | C2 | 120.4° | 119.9° |
| C3 | C1 | C18 | C19 | 167.6° | 166.3° |
| C3 | C1 | C | C2 | 120.2° | 120.1° |
| C3 | C1 | C2 | H6 | 180.0° | 47.1° |
| C3 | C1 | C2 | H7 | 60.0° | 167.1° |
| C3 | C1 | C2 | H8 | 60.0° | 72.9° |
| C1 | C3 | N | H9 | 4.6° | 0.0° |
| C3 | C1 | C | H10 | 180.0° | 179.9° |
| C3 | C1 | C | H11 | 60.0° | 59.9° |
| C3 | C1 | C | H12 | 60.0° | 60.1° |
| C3 | C1 | C18 | H24 | 79.1° | 72.1° |
| C1 | C18 | C19 | H24 | 113.1° | 121.0° |
| C18 | C1 | C | C2 | 122.1° | 120.1° |
| C1 | C18 | C19 | C20 | 126.6° | 112.2° |
| C18 | C1 | C2 | H6 | 61.7° | 72.8° |
| C18 | C1 | C2 | H7 | 178.2° | 47.3° |
| C18 | C1 | C2 | H8 | 58.2° | 167.2° |
| C18 | C1 | C | H10 | 62.2° | 60.1° |
| C18 | C1 | C | H11 | 57.8° | 59.9° |
| C18 | C1 | C | H12 | 177.8° | 180.0° |
| C1 | C18 | C19 | H25 | 113.5° | 127.9° |
| C1 | C18 | C19 | H26 | 6.8° | 7.8° |
| C18 | C19 | C20 | N2 | 64.8° | 64.3° |
| C19 | C18 | C1 | C | 73.0° | 73.7° |
| C19 | C18 | C1 | C2 | 47.2° | 46.4° |
| C18 | C19 | C20 | H25 | 119.9° | 119.9° |
| C18 | C19 | C20 | H26 | 119.9° | 119.9° |
| C18 | C19 | C20 | C26 | 50.5° | 52.7° |
| C18 | C19 | C20 | C21 | 175.0° | 173.3° |
| C18 | C19 | H25 | H26 | 120.5° | 120.1° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 168.3° | 174.0° |
| C10 | C11 | C12 | C13 | 8.8° | 5.9° |
| C11 | C10 | H13 | H14 | 117.8° | 120.0° |
| C11 | C12 | C14 | C13 | 177.4° | 179.9° |
| C12 | C11 | C10 | H13 | 118.2° | 3.7° |
| C12 | C11 | C10 | H14 | 0.3° | 116.3° |
| C11 | C12 | C13 | H16 | 180.0° | 84.9° |
| C11 | C12 | C13 | H17 | 60.0° | 155.1° |
| C11 | C12 | C13 | H18 | 60.0° | 35.1° |
| C11 | C12 | C14 | H19 | 180.0° | 90.1° |
| C11 | C12 | C14 | H20 | 60.0° | 150.0° |
| C11 | C12 | C14 | H21 | 60.0° | 29.9° |
| N2 | C24 | C23 | H33 | 116.3° | 120.1° |
| C24 | N2 | C20 | C19 | 173.9° | 179.9° |
| N2 | C24 | C23 | C22 | 54.8° | 60.3° |
| C24 | N2 | C20 | C26 | 68.9° | 62.5° |
| C24 | N2 | C20 | C21 | 53.3° | 58.4° |
| N2 | C24 | C23 | H31 | 175.2° | 59.5° |
| N2 | C24 | C23 | H32 | 65.6° | 179.8° |
| N2 | C24 | C25 | H34 | 180.0° | 60.0° |
| N2 | C24 | C25 | H35 | 60.0° | 180.0° |
| N2 | C24 | C25 | H36 | 60.0° | 60.0° |
| C24 | N2 | C27 | H37 | 4.0° | 122.3° |
| C24 | N2 | C27 | H38 | 115.7° | 2.6° |
| C20 | N2 | C24 | C23 | 55.6° | 60.0° |
| N2 | C20 | C19 | C26 | 115.3° | 117.0° |
| N2 | C20 | C19 | C21 | 120.2° | 122.4° |
| N2 | C20 | C26 | N1 | 53.8° | 57.5° |
| N2 | C20 | C26 | C21 | 120.7° | 121.6° |
| N2 | C20 | C26 | O | 128.1° | 122.7° |
| N2 | C20 | C21 | C22 | 51.0° | 56.7° |
| N2 | C20 | C19 | H25 | 55.1° | 55.6° |
| N2 | C20 | C19 | H26 | 175.3° | 175.8° |
| N2 | C20 | C21 | H27 | 69.6° | 63.4° |
| N2 | C20 | C21 | H28 | 171.5° | 176.9° |
| C20 | N2 | C24 | H33 | 60.3° | 60.1° |
| C20 | N2 | C27 | H37 | 127.3° | 114.5° |
| C20 | N2 | C27 | H38 | 113.0° | 125.9° |
| C | C1 | C2 | H6 | 60.5° | 167.2° |
| C | C1 | C2 | H7 | 59.5° | 72.8° |
| C | C1 | C2 | H8 | 179.6° | 47.2° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C | C1 | C18 | H24 | 40.3° | 47.8° |
| C24 | C23 | C22 | H31 | 120.4° | 119.9° |
| C24 | C23 | C22 | H32 | 120.4° | 120.0° |
| C24 | C23 | C22 | C21 | 53.8° | 58.8° |
| C24 | C23 | C22 | H29 | 66.3° | 178.6° |
| C24 | C23 | C22 | H30 | 174.0° | 61.1° |
| C24 | C23 | H31 | H32 | 118.8° | 120.3° |
| C23 | C24 | C25 | H34 | 54.5° | 60.5° |
| C23 | C24 | C25 | H35 | 174.5° | 59.5° |
| C23 | C24 | C25 | H36 | 65.5° | 179.5° |
| C1 | C2 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 119.9° |
| C2 | C1 | C | H10 | 59.8° | 60.0° |
| C2 | C1 | C | H11 | 179.9° | 180.0° |
| C2 | C1 | C | H12 | 60.2° | 60.0° |
| C2 | C1 | C18 | H24 | 160.4° | 168.0° |
| C19 | C20 | C26 | N1 | 62.0° | 60.4° |
| C19 | C20 | C26 | C21 | 123.4° | 120.6° |
| C19 | C20 | C26 | O | 116.1° | 119.4° |
| C19 | C20 | C21 | C22 | 169.5° | 177.8° |
| C20 | C19 | C18 | H24 | 120.2° | 126.8° |
| C20 | C19 | H25 | H26 | 120.4° | 120.2° |
| C19 | C20 | C21 | H27 | 49.0° | 57.7° |
| C19 | C20 | C21 | H28 | 69.9° | 62.0° |
| C14 | C12 | C11 | H15 | 11.7° | 6.0° |
| C14 | C12 | C13 | H16 | 2.7° | 95.0° |
| C14 | C12 | C13 | H17 | 117.3° | 25.0° |
| C14 | C12 | C13 | H18 | 122.7° | 145.0° |
| C12 | C14 | H19 | H20 | 120.0° | 120.0° |
| C12 | C14 | H19 | H21 | 120.0° | 120.0° |
| C12 | C14 | H20 | H21 | 120.0° | 120.1° |
| C13 | C12 | C11 | H15 | 171.2° | 174.1° |
| C12 | C13 | H16 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H18 | 120.0° | 120.0° |
| C13 | C12 | C14 | H19 | 2.6° | 90.1° |
| C13 | C12 | C14 | H20 | 122.6° | 29.9° |
| C13 | C12 | C14 | H21 | 117.4° | 150.0° |
| N1 | C26 | C20 | O | 178.1° | 179.8° |
| N1 | C26 | C20 | C21 | 174.6° | 179.0° |
| C23 | C22 | C21 | C20 | 52.2° | 57.0° |
| C23 | C22 | C21 | H29 | 120.1° | 119.8° |
| C23 | C22 | C21 | H30 | 120.1° | 119.9° |
| C23 | C22 | C21 | H27 | 68.4° | 63.2° |
| C23 | C22 | C21 | H28 | 172.8° | 177.1° |
| C23 | C22 | H29 | H30 | 119.6° | 120.4° |
| C22 | C23 | H31 | H32 | 118.8° | 120.1° |
| C22 | C23 | C24 | H33 | 61.5° | 59.8° |
| C26 | C20 | C21 | C22 | 67.7° | 62.7° |
| C20 | C26 | N1 | H1 | 172.9° | 177.7° |
| C26 | C20 | C19 | H25 | 170.4° | 172.6° |
| C26 | C20 | C19 | H26 | 69.3° | 67.2° |
| C26 | C20 | C21 | H27 | 171.7° | 177.2° |
| C26 | C20 | C21 | H28 | 52.8° | 57.5° |
| C21 | C20 | C26 | O | 7.3° | 1.1° |
| C20 | C21 | C22 | H27 | 120.5° | 120.1° |
| C20 | C21 | C22 | H28 | 120.6° | 120.2° |
| C21 | C20 | C19 | H25 | 65.1° | 66.8° |
| C21 | C20 | C19 | H26 | 55.2° | 53.4° |
| C20 | C21 | H27 | H28 | 118.3° | 119.7° |
| C20 | C21 | C22 | H29 | 68.0° | 176.8° |
| C20 | C21 | C22 | H30 | 172.3° | 63.0° |
| O | C26 | N1 | H1 | 9.0° | 2.5° |
| C22 | C21 | H27 | H28 | 118.3° | 119.8° |
| C21 | C22 | H29 | H30 | 119.6° | 120.3° |
| C21 | C22 | C23 | H31 | 174.2° | 61.1° |
| C21 | C22 | C23 | H32 | 66.6° | 178.7° |
| H2 | C7 | C8 | H3 | 0.2° | 0.1° |
| H2 | C7 | C6 | H5 | 0.3° | 0.0° |
| H6 | C2 | H7 | H8 | 120.0° | 120.0° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H13 | C10 | C11 | H15 | 61.8° | 176.3° |
| H14 | C10 | C11 | H15 | 179.7° | 63.7° |
| H16 | C13 | H17 | H18 | 120.0° | 120.0° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
| H24 | C18 | C19 | H25 | 0.3° | 6.9° |
| H24 | C18 | C19 | H26 | 119.9° | 113.3° |
| H27 | C21 | C22 | H29 | 171.5° | 56.6° |
| H27 | C21 | C22 | H30 | 51.8° | 176.9° |
| H28 | C21 | C22 | H29 | 52.6° | 63.1° |
| H28 | C21 | C22 | H30 | 67.1° | 57.2° |
| H29 | C22 | C23 | H31 | 54.1° | 58.7° |
| H29 | C22 | C23 | H32 | 173.3° | 61.5° |
| H30 | C22 | C23 | H31 | 65.6° | 179.0° |
| H30 | C22 | C23 | H32 | 53.6° | 58.9° |
| H31 | C23 | C24 | H33 | 58.9° | 179.7° |
| H32 | C23 | C24 | H33 | 178.1° | 60.1° |
| H33 | C24 | C25 | H34 | 62.1° | 179.8° |
| H33 | C24 | C25 | H35 | 57.9° | 60.2° |
| H33 | C24 | C25 | H36 | 177.9° | 59.8° |
| H34 | C25 | H35 | H36 | 120.0° | 120.0° |
