WUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C19 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C16 | doub | 1.33Å | 1.33Å | Aromatic |
| N5 | C16 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.55Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | N3 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| N3 | C12 | doub | 1.30Å | 1.34Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | C21 | sing | 1.39Å | 1.45Å | Aromatic |
| C10 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| O3 | C23 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | N1 | sing | 1.47Å | 1.44Å | |
| C4 | N1 | sing | 1.47Å | 1.25Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C24 | O4 | sing | 1.43Å | 1.48Å | |
| C24 | C1 | sing | 1.53Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| O3 | H27 | sing | 0.97Å | 0.95Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 119.3° | 118.6° |
| C18 | C17 | N4 | 118.6° | 119.2° |
| C18 | C17 | H15 | 120.7° | 120.4° |
| C17 | C18 | H32 | 120.4° | 120.7° |
| C18 | C19 | N5 | 117.9° | 119.2° |
| C19 | C18 | H32 | 120.4° | 120.7° |
| C18 | C19 | H33 | 121.0° | 120.4° |
| C17 | N4 | C16 | 121.8° | 120.8° |
| N4 | C17 | H15 | 120.7° | 120.4° |
| C19 | N5 | C16 | 122.6° | 120.7° |
| N5 | C19 | H33 | 121.0° | 120.4° |
| N4 | C16 | N5 | 119.7° | 121.5° |
| N4 | C16 | C15 | 121.2° | 119.2° |
| N5 | C16 | C15 | 118.9° | 119.2° |
| C16 | C15 | C14 | 118.8° | 119.9° |
| C16 | C15 | C20 | 121.3° | 119.9° |
| C15 | C14 | C11 | 120.6° | 119.5° |
| C14 | C15 | C20 | 119.8° | 120.2° |
| C15 | C14 | H31 | 119.7° | 120.3° |
| C14 | C11 | N3 | 133.6° | 133.5° |
| C14 | C11 | C10 | 119.4° | 119.5° |
| C11 | C14 | H31 | 119.7° | 120.2° |
| C15 | C20 | C21 | 120.1° | 120.5° |
| C15 | C20 | H16 | 119.9° | 119.7° |
| N3 | C11 | C10 | 107.0° | 107.0° |
| C11 | N3 | C12 | 109.5° | 109.6° |
| C11 | C10 | C21 | 120.1° | 120.1° |
| C11 | C10 | N2 | 106.8° | 105.9° |
| N3 | C12 | C13 | 123.9° | 124.9° |
| N3 | C12 | N2 | 108.4° | 110.1° |
| C20 | C21 | C10 | 119.9° | 120.1° |
| C21 | C20 | H16 | 119.9° | 119.8° |
| C20 | C21 | H17 | 120.1° | 119.9° |
| C21 | C10 | N2 | 133.1° | 134.0° |
| C10 | C21 | H17 | 120.1° | 119.9° |
| C10 | N2 | C12 | 108.3° | 107.4° |
| C10 | N2 | C9 | 124.0° | 126.3° |
| C13 | C12 | N2 | 127.7° | 124.9° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.5° |
| C12 | N2 | C9 | 127.7° | 126.3° |
| N2 | C9 | C8 | 111.6° | 109.5° |
| N2 | C9 | H29 | 108.9° | 109.5° |
| N2 | C9 | H30 | 109.0° | 109.5° |
| C9 | C8 | C7 | 115.6° | 109.5° |
| C9 | C8 | H10 | 107.9° | 109.4° |
| C9 | C8 | H11 | 107.9° | 109.5° |
| C8 | C9 | H29 | 108.9° | 109.4° |
| C8 | C9 | H30 | 108.9° | 109.5° |
| C8 | C7 | C6 | 115.2° | 109.5° |
| C8 | C7 | H8 | 108.0° | 109.5° |
| C8 | C7 | H9 | 108.0° | 109.5° |
| C7 | C8 | H10 | 107.9° | 109.5° |
| C7 | C8 | H11 | 107.9° | 109.5° |
| C7 | C6 | C5 | 111.5° | 109.5° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C7 | C6 | H7 | 109.0° | 109.4° |
| C6 | C7 | H8 | 108.0° | 109.4° |
| C6 | C7 | H9 | 108.0° | 109.4° |
| C6 | C5 | C4 | 112.6° | 109.4° |
| C6 | C5 | H4 | 108.7° | 109.4° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| C5 | C6 | H7 | 108.9° | 109.5° |
| C5 | C4 | N1 | 122.8° | 109.4° |
| C5 | C4 | H2 | 106.1° | 109.5° |
| C5 | C4 | H3 | 106.1° | 109.5° |
| C4 | C5 | H4 | 108.7° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| O3 | C23 | C22 | 106.6° | 109.5° |
| O3 | C23 | C24 | 112.8° | 109.5° |
| C23 | O3 | H27 | 109.5° | 114.0° |
| O3 | C23 | H34 | 109.9° | 109.5° |
| C23 | C22 | N1 | 109.6° | 109.6° |
| C22 | C23 | C24 | 109.5° | 109.2° |
| C23 | C22 | H18 | 109.5° | 109.5° |
| C23 | C22 | H19 | 109.4° | 109.4° |
| C22 | C23 | H34 | 108.7° | 109.5° |
| C22 | N1 | C4 | 111.2° | 111.0° |
| C22 | N1 | C2 | 113.0° | 111.2° |
| N1 | C22 | H18 | 109.4° | 109.5° |
| N1 | C22 | H19 | 109.4° | 109.5° |
| C4 | N1 | C2 | 119.0° | 111.0° |
| N1 | C4 | H2 | 106.1° | 109.5° |
| N1 | C4 | H3 | 106.0° | 109.4° |
| C23 | C24 | O4 | 112.2° | 109.5° |
| C23 | C24 | C1 | 109.5° | 109.1° |
| C23 | C24 | H20 | 110.2° | 109.6° |
| C24 | C23 | H34 | 109.2° | 109.6° |
| N1 | C2 | C1 | 112.1° | 109.5° |
| N1 | C2 | C3 | 113.8° | 109.5° |
| N1 | C2 | H23 | 107.1° | 109.5° |
| O4 | C24 | C1 | 103.5° | 109.5° |
| O4 | C24 | H20 | 110.5° | 109.6° |
| C24 | O4 | H28 | 109.5° | 114.0° |
| C24 | C1 | C2 | 108.3° | 109.3° |
| C24 | C1 | O1 | 107.8° | 109.5° |
| C1 | C24 | H20 | 110.8° | 109.5° |
| C24 | C1 | H21 | 110.0° | 109.5° |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C2 | C1 | O1 | 112.2° | 109.5° |
| C2 | C1 | H21 | 108.6° | 109.5° |
| C1 | C2 | H23 | 106.3° | 109.5° |
| C2 | C3 | O2 | 106.1° | 109.5° |
| C3 | C2 | H23 | 106.6° | 109.5° |
| C2 | C3 | H25 | 110.3° | 109.4° |
| C2 | C3 | H26 | 110.3° | 109.4° |
| O1 | C1 | H21 | 109.9° | 109.5° |
| C1 | O1 | H22 | 109.5° | 114.0° |
| C3 | O2 | H24 | 109.5° | 114.0° |
| O2 | C3 | H25 | 110.3° | 109.5° |
| O2 | C3 | H26 | 110.3° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H14 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H32 | 180.0° | 179.9° |
| C18 | C17 | N4 | H15 | 180.0° | 179.7° |
| C17 | C18 | C19 | N5 | 0.0° | 0.5° |
| C18 | C17 | N4 | C16 | 1.7° | 0.2° |
| C17 | C18 | C19 | H33 | 180.0° | 179.9° |
| C19 | C18 | C17 | N4 | 0.1° | 0.1° |
| C18 | C19 | N5 | H33 | 180.0° | 179.5° |
| C18 | C19 | N5 | C16 | 1.7° | 0.8° |
| C19 | C18 | C17 | H15 | 180.0° | 179.7° |
| C17 | N4 | C16 | N5 | 3.4° | 0.1° |
| C17 | N4 | C16 | C15 | 177.6° | 180.0° |
| N4 | C17 | C18 | H32 | 179.9° | 180.0° |
| C19 | N5 | C16 | N4 | 3.5° | 0.6° |
| C19 | N5 | C16 | C15 | 177.7° | 179.4° |
| N5 | C19 | C18 | H32 | 180.0° | 179.5° |
| N4 | C16 | N5 | C15 | 174.3° | 179.9° |
| N4 | C16 | C15 | C14 | 21.7° | 179.9° |
| N4 | C16 | C15 | C20 | 162.2° | 0.0° |
| C16 | N4 | C17 | H15 | 178.3° | 179.9° |
| N5 | C16 | C15 | C14 | 152.5° | 0.0° |
| N5 | C16 | C15 | C20 | 23.6° | 179.9° |
| C16 | N5 | C19 | H33 | 178.2° | 179.7° |
| C16 | C15 | C14 | C20 | 176.2° | 179.9° |
| C16 | C15 | C14 | C11 | 177.8° | 180.0° |
| C16 | C15 | C20 | C21 | 176.9° | 180.0° |
| C16 | C15 | C20 | H16 | 3.1° | 0.0° |
| C16 | C15 | C14 | H31 | 2.2° | 0.1° |
| C15 | C14 | C11 | H31 | 180.0° | 179.9° |
| C15 | C14 | C11 | N3 | 179.9° | 180.0° |
| C15 | C14 | C11 | C10 | 1.5° | 0.1° |
| C14 | C15 | C20 | C21 | 0.8° | 0.1° |
| C14 | C15 | C20 | H16 | 179.2° | 179.9° |
| C11 | C14 | C15 | C20 | 1.6° | 0.1° |
| C14 | C11 | N3 | C10 | 178.7° | 179.9° |
| C14 | C11 | N3 | C12 | 178.8° | 180.0° |
| C14 | C11 | C10 | C21 | 0.5° | 0.0° |
| C14 | C11 | C10 | N2 | 179.3° | 180.0° |
| C15 | C20 | C21 | H16 | 180.0° | 180.0° |
| C15 | C20 | C21 | C10 | 0.1° | 0.0° |
| C15 | C20 | C21 | H17 | 179.9° | 180.0° |
| C20 | C15 | C14 | H31 | 178.4° | 180.0° |
| N3 | C11 | C10 | C21 | 179.5° | 180.0° |
| N3 | C11 | C10 | N2 | 0.4° | 0.0° |
| C11 | N3 | C12 | C13 | 179.7° | 180.0° |
| C11 | N3 | C12 | N2 | 0.2° | 0.0° |
| N3 | C11 | C14 | H31 | 0.0° | 0.1° |
| C10 | C11 | N3 | C12 | 0.1° | 0.0° |
| C11 | C10 | C21 | C20 | 0.3° | 0.0° |
| C11 | C10 | C21 | N2 | 179.8° | 180.0° |
| C11 | C10 | N2 | C12 | 0.5° | 0.0° |
| C11 | C10 | N2 | C9 | 180.0° | 180.0° |
| C11 | C10 | C21 | H17 | 179.7° | 180.0° |
| C10 | C11 | C14 | H31 | 178.5° | 180.0° |
| N3 | C12 | N2 | C10 | 0.4° | 0.0° |
| N3 | C12 | C13 | N2 | 179.4° | 179.9° |
| N3 | C12 | N2 | C9 | 179.9° | 180.0° |
| N3 | C12 | C13 | H12 | 0.0° | 90.0° |
| N3 | C12 | C13 | H13 | 120.0° | 150.1° |
| N3 | C12 | C13 | H14 | 120.0° | 30.0° |
| C20 | C21 | C10 | H17 | 180.0° | 180.0° |
| C20 | C21 | C10 | N2 | 179.9° | 180.0° |
| C21 | C10 | N2 | C12 | 179.3° | 180.0° |
| C21 | C10 | N2 | C9 | 0.2° | 0.0° |
| C10 | C21 | C20 | H16 | 179.8° | 180.0° |
| C10 | N2 | C12 | C13 | 179.9° | 180.0° |
| C10 | N2 | C12 | C9 | 179.5° | 180.0° |
| C10 | N2 | C9 | C8 | 116.0° | 90.0° |
| N2 | C10 | C21 | H17 | 0.1° | 0.0° |
| C10 | N2 | C9 | H29 | 4.3° | 30.0° |
| C10 | N2 | C9 | H30 | 123.7° | 150.0° |
| C13 | C12 | N2 | C9 | 0.6° | 0.0° |
| C12 | C13 | H12 | H13 | 120.0° | 120.0° |
| C12 | C13 | H12 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.1° |
| C12 | N2 | C9 | C8 | 64.6° | 90.0° |
| N2 | C12 | C13 | H12 | 179.4° | 90.0° |
| N2 | C12 | C13 | H13 | 59.4° | 30.0° |
| N2 | C12 | C13 | H14 | 60.6° | 150.0° |
| C12 | N2 | C9 | H29 | 175.1° | 150.0° |
| C12 | N2 | C9 | H30 | 55.7° | 30.0° |
| N2 | C9 | C8 | H29 | 120.3° | 120.0° |
| N2 | C9 | C8 | H30 | 120.4° | 120.0° |
| N2 | C9 | C8 | C7 | 55.9° | 180.0° |
| N2 | C9 | C8 | H10 | 176.8° | 60.0° |
| N2 | C9 | C8 | H11 | 65.0° | 60.0° |
| N2 | C9 | H29 | H30 | 119.0° | 120.0° |
| C9 | C8 | C7 | H10 | 120.9° | 119.9° |
| C9 | C8 | C7 | H11 | 120.9° | 120.0° |
| C9 | C8 | C7 | C6 | 145.3° | 180.0° |
| C9 | C8 | C7 | H8 | 24.5° | 60.1° |
| C9 | C8 | C7 | H9 | 93.9° | 60.0° |
| C9 | C8 | H10 | H11 | 117.2° | 120.0° |
| C8 | C9 | H29 | H30 | 119.0° | 120.0° |
| C8 | C7 | C6 | H8 | 120.8° | 120.0° |
| C8 | C7 | C6 | H9 | 120.8° | 120.0° |
| C8 | C7 | C6 | C5 | 83.3° | 180.0° |
| C8 | C7 | C6 | H6 | 37.0° | 60.0° |
| C8 | C7 | C6 | H7 | 156.4° | 60.0° |
| C8 | C7 | H8 | H9 | 117.4° | 120.1° |
| C7 | C8 | H10 | H11 | 117.2° | 120.1° |
| C7 | C8 | C9 | H29 | 64.5° | 60.1° |
| C7 | C8 | C9 | H30 | 176.2° | 60.0° |
| C7 | C6 | C5 | H6 | 120.3° | 120.0° |
| C7 | C6 | C5 | H7 | 120.3° | 120.0° |
| C7 | C6 | C5 | C4 | 146.0° | 180.0° |
| C7 | C6 | C5 | H4 | 25.5° | 60.0° |
| C7 | C6 | C5 | H5 | 93.5° | 60.0° |
| C7 | C6 | H6 | H7 | 119.1° | 120.0° |
| C6 | C7 | H8 | H9 | 117.4° | 119.9° |
| C6 | C7 | C8 | H10 | 93.8° | 60.0° |
| C6 | C7 | C8 | H11 | 24.4° | 60.0° |
| C6 | C5 | C4 | H4 | 120.5° | 120.0° |
| C6 | C5 | C4 | H5 | 120.5° | 120.0° |
| C6 | C5 | C4 | N1 | 101.9° | 180.0° |
| C6 | C5 | C4 | H2 | 20.0° | 60.0° |
| C6 | C5 | C4 | H3 | 136.3° | 60.1° |
| C6 | C5 | H4 | H5 | 118.5° | 120.0° |
| C5 | C6 | H6 | H7 | 119.0° | 120.0° |
| C5 | C6 | C7 | H8 | 155.8° | 60.0° |
| C5 | C6 | C7 | H9 | 37.5° | 60.0° |
| C5 | C4 | N1 | C22 | 84.4° | 62.9° |
| C5 | C4 | N1 | H2 | 121.8° | 120.0° |
| C5 | C4 | N1 | H3 | 121.8° | 120.0° |
| C5 | C4 | N1 | C2 | 49.6° | 172.9° |
| C5 | C4 | H2 | H3 | 114.0° | 120.1° |
| C4 | C5 | H4 | H5 | 118.6° | 120.0° |
| C4 | C5 | C6 | H6 | 93.7° | 60.0° |
| C4 | C5 | C6 | H7 | 25.7° | 60.0° |
| O3 | C23 | C22 | C24 | 122.3° | 119.9° |
| O3 | C23 | C22 | H34 | 118.4° | 120.1° |
| O3 | C23 | C22 | N1 | 177.8° | 179.1° |
| O3 | C23 | C24 | H34 | 122.5° | 120.2° |
| O3 | C23 | C24 | O4 | 62.6° | 62.5° |
| O3 | C23 | C24 | C1 | 177.0° | 177.6° |
| O3 | C23 | C22 | H18 | 57.8° | 59.1° |
| O3 | C23 | C22 | H19 | 62.1° | 60.9° |
| O3 | C23 | C24 | H20 | 60.9° | 57.6° |
| C23 | C22 | N1 | H18 | 120.0° | 120.0° |
| C23 | C22 | N1 | H19 | 120.0° | 120.0° |
| C23 | C22 | N1 | C4 | 168.9° | 174.1° |
| C22 | C23 | C24 | H34 | 119.0° | 119.9° |
| C23 | C22 | N1 | C2 | 54.2° | 61.8° |
| C22 | C23 | C24 | O4 | 178.8° | 177.5° |
| C22 | C23 | C24 | C1 | 64.4° | 57.7° |
| C23 | C22 | H18 | H19 | 119.9° | 119.9° |
| C22 | C23 | C24 | H20 | 57.7° | 62.3° |
| C22 | C23 | O3 | H27 | 180.0° | 60.0° |
| C22 | N1 | C4 | C2 | 134.0° | 124.2° |
| N1 | C22 | C23 | C24 | 59.8° | 59.2° |
| C22 | N1 | C2 | C1 | 52.2° | 61.7° |
| C22 | N1 | C2 | C3 | 178.5° | 178.3° |
| C22 | N1 | C4 | H2 | 37.5° | 57.1° |
| C22 | N1 | C4 | H3 | 153.8° | 177.1° |
| N1 | C22 | H18 | H19 | 119.9° | 120.0° |
| C22 | N1 | C2 | H23 | 64.0° | 58.3° |
| N1 | C22 | C23 | H34 | 59.4° | 60.8° |
| C4 | N1 | C2 | C1 | 174.6° | 174.2° |
| C4 | N1 | C2 | C3 | 48.3° | 54.2° |
| N1 | C4 | H2 | H3 | 114.0° | 120.0° |
| N1 | C4 | C5 | H4 | 137.6° | 60.0° |
| N1 | C4 | C5 | H5 | 18.6° | 60.0° |
| C4 | N1 | C22 | H18 | 48.9° | 65.8° |
| C4 | N1 | C22 | H19 | 71.0° | 54.2° |
| C4 | N1 | C2 | H23 | 69.2° | 65.8° |
| C23 | C24 | O4 | C1 | 118.0° | 119.6° |
| C23 | C24 | O4 | H20 | 123.4° | 120.2° |
| C23 | C24 | C1 | H20 | 121.7° | 120.0° |
| C23 | C24 | C1 | C2 | 60.1° | 57.7° |
| C23 | C24 | C1 | O1 | 178.2° | 177.6° |
| C24 | C23 | C22 | H18 | 179.9° | 60.8° |
| C24 | C23 | C22 | H19 | 60.2° | 179.2° |
| C23 | C24 | C1 | H21 | 58.4° | 62.3° |
| C24 | C23 | O3 | H27 | 59.7° | 179.8° |
| C23 | C24 | O4 | H28 | 180.0° | 60.4° |
| N1 | C2 | C1 | C24 | 54.1° | 59.2° |
| N1 | C2 | C1 | C3 | 128.1° | 120.0° |
| N1 | C2 | C1 | H23 | 116.7° | 120.0° |
| N1 | C2 | C3 | H23 | 117.8° | 120.0° |
| N1 | C2 | C1 | O1 | 173.0° | 179.1° |
| N1 | C2 | C3 | O2 | 61.0° | 63.4° |
| C2 | N1 | C4 | H2 | 171.4° | 67.1° |
| C2 | N1 | C4 | H3 | 72.2° | 52.9° |
| C2 | N1 | C22 | H18 | 174.3° | 58.3° |
| C2 | N1 | C22 | H19 | 65.8° | 178.2° |
| N1 | C2 | C1 | H21 | 65.3° | 60.8° |
| N1 | C2 | C3 | H25 | 58.4° | 56.6° |
| N1 | C2 | C3 | H26 | 179.5° | 176.6° |
| O4 | C24 | C1 | H20 | 118.4° | 120.2° |
| O4 | C24 | C1 | C2 | 179.9° | 177.5° |
| O4 | C24 | C1 | O1 | 58.4° | 62.5° |
| O4 | C24 | C1 | H21 | 61.4° | 57.6° |
| O4 | C24 | C23 | H34 | 59.8° | 57.6° |
| C24 | C1 | C2 | O1 | 118.9° | 120.0° |
| C24 | C1 | C2 | H21 | 119.4° | 120.0° |
| C24 | C1 | C2 | C3 | 177.8° | 179.2° |
| C24 | C1 | O1 | H21 | 119.9° | 120.1° |
| C24 | C1 | O1 | H22 | 180.0° | 60.0° |
| C24 | C1 | C2 | H23 | 62.6° | 60.8° |
| C1 | C24 | O4 | H28 | 62.0° | 180.0° |
| C1 | C24 | C23 | H34 | 54.5° | 62.3° |
| C1 | C2 | C3 | H23 | 115.0° | 120.0° |
| C2 | C1 | O1 | H21 | 120.9° | 120.1° |
| C1 | C2 | C3 | O2 | 66.1° | 56.6° |
| C2 | C1 | C24 | H20 | 61.6° | 62.3° |
| C2 | C1 | O1 | H22 | 60.8° | 179.8° |
| C1 | C2 | C3 | H25 | 174.4° | 176.6° |
| C1 | C2 | C3 | H26 | 53.4° | 63.4° |
| C3 | C2 | C1 | O1 | 58.9° | 60.9° |
| C2 | C3 | O2 | H25 | 119.5° | 120.0° |
| C2 | C3 | O2 | H26 | 119.5° | 120.0° |
| C3 | C2 | C1 | H21 | 62.8° | 59.2° |
| C2 | C3 | O2 | H24 | 180.0° | 180.0° |
| C2 | C3 | H25 | H26 | 121.5° | 119.9° |
| O1 | C1 | C24 | H20 | 60.1° | 57.7° |
| O1 | C1 | C2 | H23 | 56.3° | 59.1° |
| O2 | C3 | C2 | H23 | 178.8° | 176.6° |
| O2 | C3 | H25 | H26 | 121.6° | 120.0° |
| H2 | C4 | C5 | H4 | 100.5° | NaN° |
| H2 | C4 | C5 | H5 | 140.4° | 59.9° |
| H3 | C4 | C5 | H4 | 15.8° | 59.9° |
| H3 | C4 | C5 | H5 | 103.2° | 180.0° |
| H4 | C5 | C6 | H6 | 145.8° | 180.0° |
| H4 | C5 | C6 | H7 | 94.8° | 60.0° |
| H5 | C5 | C6 | H6 | 26.8° | 60.0° |
| H5 | C5 | C6 | H7 | 146.2° | 180.0° |
| H6 | C6 | C7 | H8 | 83.8° | 180.0° |
| H6 | C6 | C7 | H9 | 157.8° | 60.0° |
| H7 | C6 | C7 | H8 | 35.5° | 60.0° |
| H7 | C6 | C7 | H9 | 82.8° | 180.0° |
| H8 | C7 | C8 | H10 | 145.4° | 180.0° |
| H8 | C7 | C8 | H11 | 96.4° | 60.0° |
| H9 | C7 | C8 | H10 | 27.1° | 59.9° |
| H9 | C7 | C8 | H11 | 145.3° | NaN° |
| H10 | C8 | C9 | H29 | 56.5° | 180.0° |
| H10 | C8 | C9 | H30 | 62.9° | 60.0° |
| H11 | C8 | C9 | H29 | 174.7° | 60.0° |
| H11 | C8 | C9 | H30 | 55.3° | 180.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | C18 | H32 | 0.0° | 0.3° |
| H16 | C20 | C21 | H17 | 0.2° | 0.0° |
| H18 | C22 | C23 | H34 | 60.6° | 179.2° |
| H19 | C22 | C23 | H34 | 179.4° | 59.2° |
| H20 | C24 | C1 | H21 | 179.9° | 177.7° |
| H20 | C24 | O4 | H28 | 56.6° | 59.8° |
| H20 | C24 | C23 | H34 | 176.6° | 177.8° |
| H21 | C1 | O1 | H22 | 60.2° | 60.1° |
| H21 | C1 | C2 | H23 | 178.0° | 179.2° |
| H23 | C2 | C3 | H25 | 59.4° | 63.4° |
| H23 | C2 | C3 | H26 | 61.7° | 56.6° |
| H24 | O2 | C3 | H25 | 60.6° | 60.1° |
| H24 | O2 | C3 | H26 | 60.5° | 60.0° |
| H27 | O3 | C23 | H34 | 62.3° | 60.0° |
| H32 | C18 | C19 | H33 | 0.0° | 0.0° |
