3IU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | O4 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| O4 | C26 | sing | 1.43Å | 1.42Å | |
| C23 | C27 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | trip | 1.17Å | 1.19Å | |
| C21 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.36Å | |
| C5 | N1 | sing | 1.40Å | 1.43Å | |
| O1 | C9 | sing | 1.42Å | 1.44Å | |
| C10 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| C8 | N2 | sing | 1.46Å | 1.45Å | |
| O3 | C11 | doub | 1.22Å | 1.23Å | |
| N2 | C11 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.47Å | 1.44Å | |
| C12 | N5 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| N5 | C13 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C15 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | O4 | 111.0° | 109.4° |
| C25 | C24 | C23 | 109.7° | 109.2° |
| C25 | C24 | H20 | 109.4° | 109.5° |
| C25 | C24 | H21 | 109.4° | 109.6° |
| C24 | C25 | H22 | 109.1° | 109.5° |
| C24 | C25 | H23 | 109.1° | 109.5° |
| C25 | O4 | C26 | 111.6° | 114.1° |
| O4 | C25 | H22 | 109.1° | 109.5° |
| O4 | C25 | H23 | 109.1° | 109.5° |
| C24 | C23 | C27 | 110.0° | 109.1° |
| C24 | C23 | C22 | 111.2° | 109.6° |
| C24 | C23 | H19 | 108.8° | 109.6° |
| C23 | C24 | H20 | 109.4° | 109.5° |
| C23 | C24 | H21 | 109.4° | 109.5° |
| O4 | C26 | C27 | 111.6° | 109.4° |
| O4 | C26 | H24 | 108.9° | 109.5° |
| O4 | C26 | H25 | 109.0° | 109.5° |
| C27 | C23 | C22 | 108.7° | 109.6° |
| C23 | C27 | C26 | 109.7° | 109.2° |
| C27 | C23 | H19 | 108.8° | 109.5° |
| C23 | C27 | H26 | 109.4° | 109.4° |
| C23 | C27 | H27 | 109.4° | 109.6° |
| C23 | C22 | C21 | 172.6° | 180.0° |
| C22 | C23 | H19 | 109.3° | 109.5° |
| C27 | C26 | H24 | 109.0° | 109.5° |
| C27 | C26 | H25 | 108.9° | 109.5° |
| C26 | C27 | H26 | 109.4° | 109.5° |
| C26 | C27 | H27 | 109.4° | 109.6° |
| C22 | C21 | C3 | 180.0° | 180.0° |
| C21 | C3 | C2 | 120.0° | 120.1° |
| C21 | C3 | C4 | 120.2° | 120.1° |
| C3 | C2 | C1 | 120.9° | 120.2° |
| C2 | C3 | C4 | 119.6° | 119.8° |
| C3 | C2 | H17 | 119.6° | 119.9° |
| C2 | C1 | C6 | 119.9° | 120.1° |
| C2 | C1 | H12 | 120.0° | 119.9° |
| C1 | C2 | H17 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.8° | 119.7° |
| C3 | C4 | H1 | 120.1° | 120.1° |
| C1 | C6 | C5 | 119.6° | 120.0° |
| C1 | C6 | O1 | 123.9° | 120.3° |
| C6 | C1 | H12 | 120.0° | 119.9° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C4 | C5 | N1 | 119.4° | 120.5° |
| C5 | C4 | H1 | 120.1° | 120.2° |
| C5 | C6 | O1 | 116.5° | 119.7° |
| C6 | C5 | N1 | 120.4° | 119.4° |
| C6 | O1 | C9 | 116.3° | 117.2° |
| C5 | N1 | C10 | 119.0° | 120.4° |
| C5 | N1 | C7 | 122.1° | 119.3° |
| O1 | C9 | C8 | 109.4° | 110.5° |
| O1 | C9 | H5 | 109.5° | 109.3° |
| O1 | C9 | H6 | 109.5° | 109.2° |
| C10 | N1 | C7 | 118.8° | 120.3° |
| N1 | C10 | H7 | 109.5° | 109.4° |
| N1 | C10 | H8 | 109.5° | 109.5° |
| N1 | C10 | H9 | 109.5° | 109.5° |
| N1 | C7 | C8 | 115.0° | 119.7° |
| N1 | C7 | O2 | 123.0° | 120.1° |
| C9 | C8 | C7 | 113.5° | 110.0° |
| C9 | C8 | N2 | 112.5° | 109.4° |
| C9 | C8 | H4 | 106.7° | 109.3° |
| C8 | C9 | H5 | 109.5° | 109.3° |
| C8 | C9 | H6 | 109.5° | 109.3° |
| C8 | C7 | O2 | 122.0° | 120.2° |
| C7 | C8 | N2 | 109.3° | 109.4° |
| C7 | C8 | H4 | 106.9° | 109.3° |
| C8 | N2 | C11 | 120.3° | 120.0° |
| N2 | C8 | H4 | 107.7° | 109.4° |
| C8 | N2 | H10 | 119.9° | 120.0° |
| O3 | C11 | N2 | 122.0° | 120.0° |
| O3 | C11 | C12 | 122.4° | 120.0° |
| N2 | C11 | C12 | 115.6° | 120.0° |
| C11 | N2 | H10 | 119.8° | 120.0° |
| C11 | C12 | N5 | 129.6° | 126.6° |
| C11 | C12 | N3 | 121.4° | 126.5° |
| N5 | C12 | N3 | 109.0° | 106.9° |
| C12 | N5 | C13 | 107.7° | 106.1° |
| C12 | N5 | H28 | 126.2° | 126.9° |
| C12 | N3 | N4 | 107.3° | 109.5° |
| N5 | C13 | N4 | 108.3° | 107.6° |
| N5 | C13 | C14 | 124.9° | 126.2° |
| C13 | N5 | H28 | 126.2° | 127.0° |
| N3 | N4 | C13 | 107.7° | 109.9° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C17 | C16 | C15 | 120.7° | 120.0° |
| C17 | C16 | H13 | 119.7° | 120.0° |
| C16 | C17 | H14 | 119.9° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H14 | 119.9° | 120.0° |
| C17 | C18 | H15 | 120.1° | 120.0° |
| C16 | C15 | C14 | 121.2° | 120.0° |
| C16 | C15 | C20 | 118.4° | 120.0° |
| C15 | C16 | H13 | 119.7° | 120.0° |
| N4 | C13 | C14 | 126.8° | 126.2° |
| C13 | C14 | C15 | 114.4° | 109.5° |
| C13 | C14 | H2 | 108.2° | 109.5° |
| C13 | C14 | H3 | 108.2° | 109.5° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C19 | C18 | H15 | 120.1° | 120.0° |
| C18 | C19 | H16 | 120.0° | 120.0° |
| C14 | C15 | C20 | 120.4° | 120.0° |
| C15 | C14 | H2 | 108.2° | 109.5° |
| C15 | C14 | H3 | 108.2° | 109.5° |
| C15 | C20 | C19 | 121.0° | 120.0° |
| C15 | C20 | H18 | 119.5° | 120.0° |
| C20 | C19 | H16 | 120.0° | 120.0° |
| C19 | C20 | H18 | 119.5° | 120.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.3° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | O4 | H22 | 120.2° | 120.0° |
| C24 | C25 | O4 | H23 | 120.2° | 120.0° |
| C25 | C24 | C23 | H20 | 120.0° | 119.9° |
| C25 | C24 | C23 | H21 | 120.1° | 120.0° |
| C24 | C25 | O4 | C26 | 60.7° | 61.2° |
| C25 | C24 | C23 | C27 | 54.2° | 56.9° |
| C25 | C24 | C23 | C22 | 174.8° | 176.9° |
| C25 | C24 | C23 | H19 | 64.8° | 62.9° |
| C25 | C24 | H20 | H21 | 119.9° | 120.2° |
| C24 | C25 | H22 | H23 | 119.3° | 120.0° |
| O4 | C25 | C24 | C23 | 57.6° | 57.6° |
| C25 | O4 | C26 | C27 | 60.2° | 61.1° |
| O4 | C25 | C24 | H20 | 62.5° | 177.5° |
| O4 | C25 | C24 | H21 | 177.6° | 62.3° |
| O4 | C25 | H22 | H23 | 119.4° | 120.0° |
| C25 | O4 | C26 | H24 | 60.1° | 178.9° |
| C25 | O4 | C26 | H25 | 179.4° | 58.9° |
| C24 | C23 | C27 | C22 | 122.0° | 119.9° |
| C24 | C23 | C27 | H19 | 119.0° | 119.9° |
| C24 | C23 | C22 | H19 | 120.1° | 120.2° |
| C24 | C23 | C27 | C26 | 53.5° | 56.9° |
| C24 | C23 | C22 | C21 | 133.6° | 27.9° |
| C23 | C24 | H20 | H21 | 119.9° | 120.1° |
| C23 | C24 | C25 | H22 | 62.7° | 62.4° |
| C23 | C24 | C25 | H23 | 177.8° | 177.6° |
| C24 | C23 | C27 | H26 | 66.6° | 62.9° |
| C24 | C23 | C27 | H27 | 173.5° | 176.9° |
| O4 | C26 | C27 | C23 | 56.3° | 57.5° |
| O4 | C26 | C27 | H24 | 120.3° | 120.0° |
| O4 | C26 | C27 | H25 | 120.3° | 120.0° |
| C26 | O4 | C25 | H22 | 59.5° | 58.8° |
| C26 | O4 | C25 | H23 | 179.1° | 178.8° |
| O4 | C26 | H24 | H25 | 119.0° | 120.0° |
| O4 | C26 | C27 | H26 | 63.7° | 62.3° |
| O4 | C26 | C27 | H27 | 176.3° | 177.5° |
| C27 | C23 | C22 | H19 | 118.6° | 120.1° |
| C23 | C27 | C26 | H26 | 120.0° | 119.8° |
| C23 | C27 | C26 | H27 | 120.0° | 120.0° |
| C27 | C23 | C22 | C21 | 12.3° | 91.7° |
| C27 | C23 | C24 | H20 | 65.8° | 176.8° |
| C27 | C23 | C24 | H21 | 174.3° | 63.0° |
| C23 | C27 | C26 | H24 | 64.0° | 177.5° |
| C23 | C27 | C26 | H25 | 176.6° | 62.5° |
| C23 | C27 | H26 | H27 | 119.9° | 120.2° |
| C22 | C23 | C27 | C26 | 175.5° | 176.8° |
| C23 | C22 | C21 | C3 | 107.6° | 155.2° |
| C22 | C23 | C24 | H20 | 54.7° | 63.2° |
| C22 | C23 | C24 | H21 | 65.2° | 56.9° |
| C22 | C23 | C27 | H26 | 55.4° | 57.0° |
| C22 | C23 | C27 | H27 | 64.5° | 63.2° |
| C26 | C27 | C23 | H19 | 65.6° | 63.1° |
| C27 | C26 | H24 | H25 | 119.0° | 120.0° |
| C26 | C27 | H26 | H27 | 119.9° | 120.2° |
| C22 | C21 | C3 | C2 | 19.8° | 63.5° |
| C22 | C21 | C3 | C4 | 165.3° | 116.6° |
| C21 | C22 | C23 | H19 | 106.3° | 148.1° |
| C21 | C3 | C2 | C4 | 175.0° | 180.0° |
| C21 | C3 | C2 | C1 | 176.6° | 179.3° |
| C21 | C3 | C4 | C5 | 176.0° | 180.0° |
| C21 | C3 | C4 | H1 | 4.0° | 0.4° |
| C21 | C3 | C2 | H17 | 3.4° | 0.1° |
| C3 | C2 | C1 | H17 | 180.0° | 179.5° |
| C3 | C2 | C1 | C6 | 1.1° | 0.8° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H1 | 178.9° | 179.6° |
| C3 | C2 | C1 | H12 | 178.9° | 179.8° |
| C1 | C2 | C3 | C4 | 1.7° | 0.6° |
| C2 | C1 | C6 | H12 | 180.0° | 179.4° |
| C2 | C1 | C6 | C5 | 0.1° | 0.4° |
| C2 | C1 | C6 | O1 | 177.8° | 179.8° |
| C3 | C4 | C5 | H1 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | N1 | 179.7° | 179.4° |
| C4 | C3 | C2 | H17 | 178.3° | 179.9° |
| C1 | C6 | C5 | C4 | 0.8° | 0.2° |
| C1 | C6 | C5 | O1 | 177.9° | 179.8° |
| C1 | C6 | C5 | N1 | 179.1° | 179.6° |
| C1 | C6 | O1 | C9 | 101.2° | 104.6° |
| C6 | C1 | C2 | H17 | 178.9° | 179.7° |
| C4 | C5 | C6 | N1 | 179.9° | 179.8° |
| C4 | C5 | C6 | O1 | 178.7° | 179.6° |
| C4 | C5 | N1 | C10 | 50.8° | 48.5° |
| C4 | C5 | N1 | C7 | 128.4° | 131.5° |
| C5 | C6 | O1 | C9 | 76.6° | 75.2° |
| C6 | C5 | N1 | C10 | 129.4° | 131.3° |
| C6 | C5 | N1 | C7 | 51.4° | 48.7° |
| C6 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C6 | C1 | H12 | 179.8° | 179.8° |
| O1 | C6 | C5 | N1 | 1.2° | 0.6° |
| C6 | O1 | C9 | C8 | 49.0° | 43.7° |
| C6 | O1 | C9 | H5 | 169.0° | 76.5° |
| C6 | O1 | C9 | H6 | 71.0° | 163.9° |
| O1 | C6 | C1 | H12 | 2.1° | 0.4° |
| C5 | N1 | C10 | C7 | 179.2° | 180.0° |
| C5 | N1 | C7 | C8 | 0.8° | 3.6° |
| C5 | N1 | C7 | O2 | 179.9° | 176.5° |
| N1 | C5 | C4 | H1 | 0.3° | 0.2° |
| C5 | N1 | C10 | H7 | 180.0° | 90.0° |
| C5 | N1 | C10 | H8 | 60.0° | 150.0° |
| C5 | N1 | C10 | H9 | 60.0° | 30.0° |
| O1 | C9 | C8 | H5 | 120.0° | 120.3° |
| O1 | C9 | C8 | H6 | 120.0° | 120.2° |
| O1 | C9 | C8 | C7 | 43.3° | 44.0° |
| O1 | C9 | C8 | N2 | 168.0° | 164.2° |
| O1 | C9 | C8 | H4 | 74.1° | 76.1° |
| O1 | C9 | H5 | H6 | 120.0° | 119.4° |
| C10 | N1 | C7 | C8 | 178.4° | 176.4° |
| C10 | N1 | C7 | O2 | 0.8° | 3.5° |
| N1 | C10 | H7 | H8 | 120.0° | 120.0° |
| N1 | C10 | H7 | H9 | 120.0° | 120.0° |
| N1 | C10 | H8 | H9 | 120.0° | 120.0° |
| N1 | C7 | C8 | C9 | 72.3° | 74.4° |
| N1 | C7 | C8 | O2 | 179.3° | 180.0° |
| N1 | C7 | C8 | N2 | 161.3° | 165.4° |
| N1 | C7 | C8 | H4 | 45.0° | 45.6° |
| C7 | N1 | C10 | H7 | 0.8° | 90.0° |
| C7 | N1 | C10 | H8 | 119.3° | 30.0° |
| C7 | N1 | C10 | H9 | 120.8° | 150.0° |
| C9 | C8 | C7 | N2 | 126.4° | 120.2° |
| C9 | C8 | C7 | H4 | 117.3° | 120.1° |
| C9 | C8 | C7 | O2 | 108.5° | 105.6° |
| C9 | C8 | N2 | H4 | 117.2° | 119.7° |
| C9 | C8 | N2 | C11 | 90.8° | 154.4° |
| C8 | C9 | H5 | H6 | 120.1° | 119.6° |
| C9 | C8 | N2 | H10 | 89.2° | 25.6° |
| C7 | C8 | N2 | H4 | 115.7° | 119.7° |
| C7 | C8 | N2 | C11 | 142.2° | 85.0° |
| C7 | C8 | C9 | H5 | 76.7° | 164.2° |
| C7 | C8 | C9 | H6 | 163.3° | 76.2° |
| C7 | C8 | N2 | H10 | 37.8° | 95.0° |
| O2 | C7 | C8 | N2 | 18.0° | 14.6° |
| O2 | C7 | C8 | H4 | 134.2° | 134.3° |
| C8 | N2 | C11 | O3 | 2.9° | 0.0° |
| C8 | N2 | C11 | H10 | 180.0° | 180.0° |
| C8 | N2 | C11 | C12 | 177.5° | 180.0° |
| N2 | C8 | C9 | H5 | 48.0° | 75.6° |
| N2 | C8 | C9 | H6 | 72.0° | 44.0° |
| O3 | C11 | N2 | C12 | 179.6° | 180.0° |
| O3 | C11 | C12 | N5 | 4.4° | 0.0° |
| O3 | C11 | C12 | N3 | 176.2° | 179.7° |
| O3 | C11 | N2 | H10 | 177.1° | 180.0° |
| N2 | C11 | C12 | N5 | 175.2° | 180.0° |
| N2 | C11 | C12 | N3 | 4.3° | 0.3° |
| C11 | N2 | C8 | H4 | 26.4° | 34.7° |
| C11 | C12 | N5 | N3 | 179.5° | 179.8° |
| C11 | C12 | N5 | C13 | 179.8° | 179.9° |
| C11 | C12 | N3 | N4 | 179.5° | 180.0° |
| C12 | C11 | N2 | H10 | 2.5° | 0.0° |
| C11 | C12 | N5 | H28 | 0.2° | 0.0° |
| C12 | N5 | C13 | H28 | 180.0° | 179.9° |
| N5 | C12 | N3 | N4 | 1.0° | 0.2° |
| C12 | N5 | C13 | N4 | 0.1° | 0.4° |
| C12 | N5 | C13 | C14 | 179.2° | 179.9° |
| N3 | C12 | N5 | C13 | 0.7° | 0.3° |
| C12 | N3 | N4 | C13 | 0.9° | 0.0° |
| N3 | C12 | N5 | H28 | 179.3° | 179.7° |
| N5 | C13 | N4 | N3 | 0.5° | 0.2° |
| N5 | C13 | N4 | C14 | 179.3° | 179.8° |
| N5 | C13 | C14 | C15 | 40.6° | 125.3° |
| N5 | C13 | C14 | H2 | 80.1° | 114.7° |
| N5 | C13 | C14 | H3 | 161.3° | 5.3° |
| N3 | N4 | C13 | C14 | 179.8° | 180.0° |
| C16 | C17 | C18 | H14 | 180.0° | 180.0° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.0° |
| C17 | C16 | C15 | C14 | 179.9° | 180.0° |
| C17 | C16 | C15 | C20 | 1.0° | 0.3° |
| C16 | C17 | C18 | H15 | 178.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.2° |
| C18 | C17 | C16 | H13 | 179.9° | 180.0° |
| C17 | C18 | C19 | H16 | 179.1° | 180.0° |
| C16 | C15 | C14 | C13 | 92.3° | 89.7° |
| C16 | C15 | C14 | C20 | 178.9° | 179.7° |
| C16 | C15 | C20 | C19 | 1.2° | 0.5° |
| C16 | C15 | C14 | H2 | 28.4° | 150.3° |
| C16 | C15 | C14 | H3 | 147.0° | 30.3° |
| C15 | C16 | C17 | H14 | 179.9° | 180.0° |
| C16 | C15 | C20 | H18 | 178.8° | 179.7° |
| N4 | C13 | C14 | C15 | 140.3° | 55.0° |
| N4 | C13 | C14 | H2 | 99.0° | 65.0° |
| N4 | C13 | C14 | H3 | 19.5° | 175.0° |
| N4 | C13 | N5 | H28 | 179.9° | 179.7° |
| C13 | C14 | C15 | H2 | 120.7° | 120.0° |
| C13 | C14 | C15 | H3 | 120.7° | 120.0° |
| C13 | C14 | C15 | C20 | 86.6° | 90.0° |
| C13 | C14 | H2 | H3 | 117.8° | 120.0° |
| C14 | C13 | N5 | H28 | 0.8° | 0.1° |
| C18 | C19 | C20 | C15 | 0.3° | 0.5° |
| C18 | C19 | C20 | H16 | 180.0° | 179.8° |
| C19 | C18 | C17 | H14 | 179.0° | 180.0° |
| C18 | C19 | C20 | H18 | 179.7° | 179.8° |
| C14 | C15 | C20 | C19 | 179.9° | 179.8° |
| C15 | C14 | H2 | H3 | 117.8° | 120.0° |
| C14 | C15 | C16 | H13 | 0.1° | 0.0° |
| C14 | C15 | C20 | H18 | 0.1° | 0.0° |
| C15 | C20 | C19 | H18 | 180.0° | 179.8° |
| C20 | C15 | C14 | H2 | 152.7° | 30.0° |
| C20 | C15 | C14 | H3 | 34.1° | 150.0° |
| C20 | C15 | C16 | H13 | 179.0° | 179.7° |
| C15 | C20 | C19 | H16 | 179.8° | 179.7° |
| C20 | C19 | C18 | H15 | 179.1° | 179.8° |
| H4 | C8 | C9 | H5 | 165.9° | 44.2° |
| H4 | C8 | C9 | H6 | 45.9° | 163.8° |
| H4 | C8 | N2 | H10 | 153.6° | 145.3° |
| H7 | C10 | H8 | H9 | 120.0° | 120.1° |
| H12 | C1 | C2 | H17 | 1.1° | 0.3° |
| H13 | C16 | C17 | H14 | 0.1° | 0.1° |
| H14 | C17 | C18 | H15 | 1.1° | 0.0° |
| H15 | C18 | C19 | H16 | 0.9° | 0.0° |
| H16 | C19 | C20 | H18 | 0.3° | 0.0° |
| H19 | C23 | C24 | H20 | 175.2° | 56.9° |
| H19 | C23 | C24 | H21 | 55.3° | 177.1° |
| H19 | C23 | C27 | H26 | 174.4° | 177.1° |
| H19 | C23 | C27 | H27 | 54.5° | 57.0° |
| H20 | C24 | C25 | H22 | 177.3° | 57.5° |
| H20 | C24 | C25 | H23 | 57.8° | 62.5° |
| H21 | C24 | C25 | H22 | 57.4° | 177.6° |
| H21 | C24 | C25 | H23 | 62.2° | 57.7° |
| H24 | C26 | C27 | H26 | 175.9° | 57.7° |
| H24 | C26 | C27 | H27 | 56.0° | 62.4° |
| H25 | C26 | C27 | H26 | 56.6° | 177.7° |
| H25 | C26 | C27 | H27 | 63.3° | 57.5° |
