3J5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| O1 | C20 | sing | 1.43Å | 1.42Å | |
| C22 | N4 | sing | 1.47Å | 1.48Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | N4 | sing | 1.47Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N4 | C26 | sing | 1.47Å | 1.47Å | |
| C20 | C18 | sing | 1.51Å | 1.51Å | |
| C24 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C21 | sing | 1.47Å | 1.47Å | |
| N3 | C3 | sing | 1.39Å | 1.39Å | |
| C3 | N | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| N2 | C19 | sing | 1.35Å | 1.37Å | |
| N2 | C12 | doub | 1.31Å | 1.31Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C14 | doub | 1.41Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.48Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | N1 | sing | 1.37Å | 1.41Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.47Å | |
| N1 | C13 | sing | 1.35Å | 1.38Å | |
| C13 | O | doub | 1.22Å | 1.23Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C23 | N4 | 112.9° | 109.5° |
| C25 | C23 | C24 | 112.2° | 109.5° |
| C25 | C23 | H23 | 107.3° | 109.5° |
| C23 | C25 | H24 | 109.5° | 109.5° |
| C23 | C25 | H25 | 109.5° | 109.4° |
| C23 | C25 | H26 | 109.5° | 109.5° |
| O1 | C20 | C18 | 112.6° | 109.5° |
| O1 | C20 | H8 | 108.7° | 109.5° |
| O1 | C20 | H9 | 108.7° | 109.4° |
| C20 | O1 | H17 | 109.5° | 114.0° |
| N4 | C22 | C21 | 111.3° | 109.3° |
| C22 | N4 | C23 | 116.4° | 110.9° |
| C22 | N4 | C26 | 112.2° | 111.0° |
| N4 | C22 | H12 | 109.0° | 109.5° |
| N4 | C22 | H13 | 109.0° | 109.5° |
| C22 | C21 | N3 | 111.2° | 109.4° |
| C22 | C21 | H10 | 109.0° | 109.5° |
| C22 | C21 | H11 | 109.0° | 109.5° |
| C21 | C22 | H12 | 109.0° | 109.5° |
| C21 | C22 | H13 | 109.0° | 109.5° |
| N4 | C23 | C24 | 109.2° | 109.3° |
| C23 | N4 | C26 | 112.8° | 111.0° |
| N4 | C23 | H23 | 107.7° | 109.5° |
| C23 | C24 | N3 | 121.2° | 109.4° |
| C23 | C24 | H14 | 106.4° | 109.5° |
| C23 | C24 | H15 | 106.5° | 109.5° |
| C24 | C23 | H23 | 107.3° | 109.5° |
| N4 | C26 | H28 | 109.5° | 109.5° |
| N4 | C26 | H29 | 109.4° | 109.5° |
| N4 | C26 | H30 | 109.5° | 109.5° |
| C20 | C18 | C17 | 120.3° | 120.1° |
| C20 | C18 | C19 | 121.6° | 120.1° |
| C18 | C20 | H8 | 108.7° | 109.5° |
| C18 | C20 | H9 | 108.7° | 109.5° |
| C24 | N3 | C21 | 115.6° | 110.8° |
| C24 | N3 | C3 | 120.9° | 111.0° |
| N3 | C24 | H14 | 106.5° | 109.5° |
| N3 | C24 | H15 | 106.5° | 109.5° |
| C21 | N3 | C3 | 120.6° | 111.0° |
| N3 | C21 | H10 | 109.1° | 109.4° |
| N3 | C21 | H11 | 109.1° | 109.5° |
| N3 | C3 | N | 116.4° | 119.5° |
| N3 | C3 | C2 | 121.3° | 119.6° |
| N | C3 | C2 | 122.3° | 120.9° |
| C3 | N | C4 | 117.5° | 121.7° |
| C3 | C2 | C1 | 119.2° | 119.3° |
| C3 | C2 | H1 | 120.4° | 120.4° |
| N | C4 | C5 | 124.8° | 120.7° |
| N | C4 | H22 | 117.6° | 119.7° |
| C2 | C1 | C5 | 118.7° | 118.3° |
| C2 | C1 | C | 118.2° | 120.8° |
| C1 | C2 | H1 | 120.4° | 120.4° |
| C10 | C11 | C6 | 121.2° | 120.0° |
| C11 | C10 | C9 | 120.6° | 120.0° |
| C11 | C10 | H4 | 119.7° | 120.0° |
| C10 | C11 | H5 | 119.4° | 120.0° |
| C11 | C6 | C5 | 120.6° | 120.0° |
| C11 | C6 | C7 | 117.9° | 120.1° |
| C6 | C11 | H5 | 119.4° | 120.0° |
| C4 | C5 | C1 | 117.4° | 119.1° |
| C4 | C5 | C6 | 118.9° | 120.5° |
| C5 | C4 | H22 | 117.6° | 119.6° |
| C17 | C18 | C19 | 118.0° | 119.8° |
| C18 | C17 | C16 | 121.6° | 121.0° |
| C18 | C17 | H18 | 119.2° | 119.4° |
| C18 | C19 | N2 | 116.8° | 121.6° |
| C18 | C19 | C14 | 120.4° | 119.3° |
| C17 | C16 | C15 | 120.5° | 120.6° |
| C17 | C16 | H7 | 119.8° | 119.7° |
| C16 | C17 | H18 | 119.2° | 119.6° |
| C10 | C9 | C12 | 119.7° | 120.0° |
| C10 | C9 | C8 | 118.5° | 119.9° |
| C9 | C10 | H4 | 119.7° | 120.0° |
| C5 | C1 | C | 123.1° | 120.8° |
| C1 | C5 | C6 | 123.2° | 120.4° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.4° | 109.5° |
| C1 | C | H21 | 109.5° | 109.5° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C19 | N2 | C12 | 118.5° | 121.7° |
| N2 | C19 | C14 | 122.8° | 119.1° |
| N2 | C12 | C9 | 118.2° | 118.5° |
| N2 | C12 | N1 | 122.7° | 123.1° |
| C6 | C7 | C8 | 121.2° | 120.0° |
| C6 | C7 | H2 | 119.4° | 120.0° |
| C19 | C14 | C15 | 120.4° | 119.9° |
| C19 | C14 | C13 | 118.6° | 118.2° |
| C16 | C15 | C14 | 119.2° | 119.4° |
| C16 | C15 | H6 | 120.4° | 120.3° |
| C15 | C16 | H7 | 119.8° | 119.7° |
| C12 | C9 | C8 | 121.8° | 120.0° |
| C9 | C12 | N1 | 118.9° | 118.4° |
| C9 | C8 | C7 | 120.4° | 120.0° |
| C9 | C8 | H3 | 119.8° | 120.0° |
| C12 | N1 | C13 | 122.3° | 120.4° |
| C12 | N1 | H16 | 118.9° | 119.8° |
| C8 | C7 | H2 | 119.4° | 120.0° |
| C7 | C8 | H3 | 119.8° | 120.0° |
| C15 | C14 | C13 | 121.0° | 121.9° |
| C14 | C15 | H6 | 120.4° | 120.3° |
| C14 | C13 | N1 | 114.9° | 117.5° |
| C14 | C13 | O | 123.8° | 121.2° |
| N1 | C13 | O | 121.3° | 121.3° |
| C13 | N1 | H16 | 118.8° | 119.8° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H19 | C | H20 | 109.4° | 109.4° |
| H19 | C | H21 | 109.4° | 109.4° |
| H20 | C | H21 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.4° | 109.5° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.4° |
| H28 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C23 | N4 | C22 | 81.0° | 60.6° |
| C25 | C23 | N4 | C24 | 125.5° | 119.9° |
| C25 | C23 | N4 | H23 | 118.3° | 120.1° |
| C25 | C23 | C24 | H23 | 117.6° | 120.1° |
| C25 | C23 | N4 | C26 | 147.2° | 175.5° |
| C25 | C23 | C24 | N3 | 91.9° | 61.5° |
| C25 | C23 | C24 | H14 | 146.4° | 58.4° |
| C25 | C23 | C24 | H15 | 29.7° | 178.5° |
| C23 | C25 | H24 | H25 | 120.0° | 120.0° |
| C23 | C25 | H24 | H26 | 120.0° | 120.0° |
| C23 | C25 | H25 | H26 | 120.0° | 120.0° |
| O1 | C20 | C18 | H8 | 120.4° | 120.0° |
| O1 | C20 | C18 | H9 | 120.5° | 119.9° |
| O1 | C20 | C18 | C17 | 20.8° | 0.0° |
| O1 | C20 | C18 | C19 | 160.5° | 179.2° |
| O1 | C20 | H8 | H9 | 118.6° | 120.0° |
| N4 | C22 | C21 | H12 | 120.3° | 119.9° |
| N4 | C22 | C21 | H13 | 120.3° | 120.0° |
| C22 | N4 | C23 | C26 | 131.8° | 123.9° |
| C22 | N4 | C23 | C24 | 44.6° | 59.3° |
| N4 | C22 | C21 | N3 | 53.9° | 58.4° |
| N4 | C22 | C21 | H10 | 174.2° | 178.3° |
| N4 | C22 | C21 | H11 | 66.3° | 61.6° |
| N4 | C22 | H12 | H13 | 119.1° | 120.0° |
| C22 | N4 | C23 | H23 | 160.7° | 179.3° |
| C22 | N4 | C26 | H28 | 180.0° | 56.1° |
| C22 | N4 | C26 | H29 | 60.0° | 176.0° |
| C22 | N4 | C26 | H30 | 60.0° | 64.0° |
| C21 | C22 | N4 | C23 | 57.0° | 59.3° |
| C21 | C22 | N4 | C26 | 75.1° | 64.5° |
| C22 | C21 | N3 | C24 | 43.7° | 59.4° |
| C22 | C21 | N3 | H10 | 120.3° | 119.9° |
| C22 | C21 | N3 | H11 | 120.3° | 120.0° |
| C22 | C21 | N3 | C3 | 155.1° | 176.8° |
| C22 | C21 | H10 | H11 | 119.2° | 120.1° |
| C21 | C22 | H12 | H13 | 119.2° | 120.1° |
| N4 | C23 | C24 | H23 | 116.4° | 120.0° |
| N4 | C23 | C24 | N3 | 34.0° | 58.4° |
| C23 | N4 | C22 | H12 | 63.3° | 179.3° |
| C23 | N4 | C22 | H13 | 177.3° | 60.7° |
| N4 | C23 | C24 | H14 | 87.6° | 178.3° |
| N4 | C23 | C24 | H15 | 155.6° | 61.6° |
| N4 | C23 | C25 | H24 | 180.0° | 60.0° |
| N4 | C23 | C25 | H25 | 60.0° | 179.9° |
| N4 | C23 | C25 | H26 | 60.0° | 60.0° |
| C23 | N4 | C26 | H28 | 46.2° | 179.9° |
| C23 | N4 | C26 | H29 | 73.9° | 60.2° |
| C23 | N4 | C26 | H30 | 166.2° | 59.9° |
| C24 | C23 | N4 | C26 | 87.2° | 64.6° |
| C23 | C24 | N3 | H14 | 121.6° | 119.9° |
| C23 | C24 | N3 | H15 | 121.7° | 120.0° |
| C23 | C24 | N3 | C21 | 36.0° | 59.3° |
| C23 | C24 | N3 | C3 | 162.9° | 176.8° |
| C23 | C24 | H14 | H15 | 114.7° | 120.1° |
| C24 | C23 | C25 | H24 | 56.1° | 59.9° |
| C24 | C23 | C25 | H25 | 176.1° | 60.1° |
| C24 | C23 | C25 | H26 | 63.9° | 179.9° |
| C26 | N4 | C22 | H12 | 164.6° | 55.4° |
| C26 | N4 | C22 | H13 | 45.2° | 175.5° |
| C26 | N4 | C23 | H23 | 29.0° | 55.4° |
| N4 | C26 | H28 | H29 | 120.0° | 120.0° |
| N4 | C26 | H28 | H30 | 120.0° | 120.1° |
| N4 | C26 | H29 | H30 | 120.0° | 120.1° |
| C20 | C18 | C17 | C19 | 178.7° | 179.2° |
| C20 | C18 | C17 | C16 | 178.9° | 180.0° |
| C20 | C18 | C19 | N2 | 0.0° | 0.2° |
| C20 | C18 | C19 | C14 | 179.9° | 179.7° |
| C18 | C20 | H8 | H9 | 118.6° | 120.0° |
| C18 | C20 | O1 | H17 | 180.0° | 180.0° |
| C20 | C18 | C17 | H18 | 1.1° | 0.1° |
| C24 | N3 | C21 | C3 | 161.2° | 123.8° |
| C24 | N3 | C3 | N | 179.0° | 0.0° |
| C24 | N3 | C3 | C2 | 0.4° | 180.0° |
| C24 | N3 | C21 | H10 | 164.0° | 179.3° |
| C24 | N3 | C21 | H11 | 76.5° | 60.7° |
| N3 | C24 | H14 | H15 | 114.7° | 120.1° |
| N3 | C24 | C23 | H23 | 150.4° | 178.4° |
| C21 | N3 | C3 | N | 20.8° | 123.8° |
| C21 | N3 | C3 | C2 | 160.6° | 56.2° |
| N3 | C21 | H10 | H11 | 119.2° | 120.0° |
| N3 | C21 | C22 | H12 | 66.3° | 178.4° |
| N3 | C21 | C22 | H13 | 174.2° | 61.6° |
| C21 | N3 | C24 | H14 | 85.6° | 179.3° |
| C21 | N3 | C24 | H15 | 157.7° | 60.7° |
| N3 | C3 | N | C2 | 178.6° | 180.0° |
| N3 | C3 | N | C4 | 178.6° | 179.7° |
| N3 | C3 | C2 | C1 | 179.4° | 180.0° |
| N3 | C3 | C2 | H1 | 0.6° | 0.0° |
| C3 | N3 | C21 | H10 | 34.8° | 56.9° |
| C3 | N3 | C21 | H11 | 84.7° | 63.2° |
| C3 | N3 | C24 | H14 | 75.5° | 56.9° |
| C3 | N3 | C24 | H15 | 41.2° | 63.2° |
| N | C3 | C2 | C1 | 2.0° | 0.0° |
| C3 | N | C4 | C5 | 0.5° | 0.6° |
| N | C3 | C2 | H1 | 178.0° | 179.9° |
| C3 | N | C4 | H22 | 179.5° | 180.0° |
| C2 | C3 | N | C4 | 2.7° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C5 | 1.8° | 0.0° |
| C3 | C2 | C1 | C | 179.3° | 179.7° |
| N | C4 | C5 | H22 | 180.0° | 179.4° |
| N | C4 | C5 | C1 | 4.2° | 0.6° |
| N | C4 | C5 | C6 | 176.4° | 179.5° |
| C2 | C1 | C5 | C4 | 4.6° | 0.3° |
| C2 | C1 | C5 | C | 177.4° | 179.7° |
| C2 | C1 | C5 | C6 | 176.5° | 179.7° |
| C2 | C1 | C | H19 | 91.2° | 89.7° |
| C2 | C1 | C | H20 | 148.8° | 30.3° |
| C2 | C1 | C | H21 | 28.8° | 150.3° |
| C10 | C11 | C6 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C10 | C11 | C6 | C5 | 176.7° | 180.0° |
| C10 | C11 | C6 | C7 | 0.7° | 0.5° |
| C11 | C10 | C9 | C12 | 176.9° | 180.0° |
| C11 | C10 | C9 | C8 | 3.2° | 0.1° |
| C11 | C6 | C5 | C4 | 110.9° | 50.0° |
| C6 | C11 | C10 | C9 | 2.7° | 0.2° |
| C11 | C6 | C5 | C1 | 60.8° | 130.0° |
| C11 | C6 | C5 | C7 | 175.9° | 179.5° |
| C11 | C6 | C7 | C8 | 0.9° | 0.5° |
| C11 | C6 | C7 | H2 | 179.1° | 179.7° |
| C6 | C11 | C10 | H4 | 177.2° | 179.8° |
| C4 | C5 | C1 | C6 | 171.8° | 179.9° |
| C4 | C5 | C1 | C | 178.0° | 180.0° |
| C4 | C5 | C6 | C7 | 65.0° | 129.5° |
| C18 | C17 | C16 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | N2 | 178.7° | 179.4° |
| C17 | C18 | C19 | C14 | 1.3° | 0.5° |
| C18 | C17 | C16 | C15 | 0.3° | 0.6° |
| C18 | C17 | C16 | H7 | 179.7° | 179.5° |
| C17 | C18 | C20 | H8 | 141.3° | 120.0° |
| C17 | C18 | C20 | H9 | 99.6° | 119.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.8° |
| C18 | C19 | N2 | C14 | 179.9° | 179.9° |
| C18 | C19 | N2 | C12 | 179.1° | 180.0° |
| C18 | C19 | C14 | C15 | 2.0° | 0.0° |
| C18 | C19 | C14 | C13 | 177.6° | 179.8° |
| C19 | C18 | C20 | H8 | 40.0° | 60.8° |
| C19 | C18 | C20 | H9 | 79.0° | 59.2° |
| C19 | C18 | C17 | H18 | 179.8° | 179.3° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | H6 | 179.7° | 180.0° |
| C10 | C9 | C12 | N2 | 0.9° | 179.7° |
| C10 | C9 | C12 | C8 | 179.9° | 179.9° |
| C10 | C9 | C12 | N1 | 175.5° | 0.1° |
| C10 | C9 | C8 | C7 | 1.7° | 0.0° |
| C10 | C9 | C8 | H3 | 178.3° | 179.9° |
| C9 | C10 | C11 | H5 | 177.3° | 180.0° |
| C1 | C5 | C6 | C7 | 123.3° | 50.5° |
| C5 | C1 | C2 | H1 | 178.2° | 180.0° |
| C5 | C1 | C | H19 | 91.4° | 90.0° |
| C5 | C1 | C | H20 | 28.6° | 150.0° |
| C5 | C1 | C | H21 | 148.6° | 30.0° |
| C1 | C5 | C4 | H22 | 175.8° | 180.0° |
| C | C1 | C5 | C6 | 6.2° | 0.0° |
| C | C1 | C2 | H1 | 0.7° | 0.3° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H21 | 120.0° | 120.1° |
| C1 | C | H20 | H21 | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 175.1° | 180.0° |
| C5 | C6 | C7 | H2 | 4.9° | 0.2° |
| C5 | C6 | C11 | H5 | 3.3° | 0.3° |
| C6 | C5 | C4 | H22 | 3.6° | 0.1° |
| C19 | N2 | C12 | C9 | 178.4° | 180.0° |
| C19 | N2 | C12 | N1 | 4.0° | 0.3° |
| N2 | C19 | C14 | C15 | 178.1° | 180.0° |
| N2 | C19 | C14 | C13 | 2.3° | 0.3° |
| C12 | N2 | C19 | C14 | 1.0° | 0.1° |
| N2 | C12 | C9 | N1 | 174.6° | 179.8° |
| N2 | C12 | C9 | C8 | 179.2° | 0.2° |
| N2 | C12 | N1 | C13 | 3.8° | 0.3° |
| N2 | C12 | N1 | H16 | 176.2° | 179.8° |
| C6 | C7 | C8 | C9 | 0.4° | 0.3° |
| C6 | C7 | C8 | H2 | 180.0° | 179.8° |
| C6 | C7 | C8 | H3 | 179.6° | 179.8° |
| C7 | C6 | C11 | H5 | 179.4° | 179.7° |
| C19 | C14 | C15 | C16 | 1.5° | 0.3° |
| C19 | C14 | C15 | C13 | 179.6° | 179.7° |
| C19 | C14 | C13 | N1 | 2.4° | 0.2° |
| C19 | C14 | C13 | O | 179.3° | 179.8° |
| C19 | C14 | C15 | H6 | 178.5° | 179.7° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 178.2° | 180.0° |
| C15 | C16 | C17 | H18 | 179.7° | 179.5° |
| C12 | C9 | C8 | C7 | 178.4° | 179.9° |
| C9 | C12 | N1 | C13 | 178.1° | 179.9° |
| C12 | C9 | C8 | H3 | 1.6° | 0.0° |
| C12 | C9 | C10 | H4 | 3.2° | 0.1° |
| C9 | C12 | N1 | H16 | 1.9° | 0.0° |
| C8 | C9 | C12 | N1 | 4.6° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 179.6° | 180.0° |
| C8 | C9 | C10 | H4 | 176.8° | 180.0° |
| C12 | N1 | C13 | C14 | 0.4° | 0.1° |
| C12 | N1 | C13 | H16 | 180.0° | 179.9° |
| C12 | N1 | C13 | O | 178.0° | 179.9° |
| C15 | C14 | C13 | N1 | 177.9° | 180.0° |
| C15 | C14 | C13 | O | 0.3° | 0.0° |
| C14 | C15 | C16 | H7 | 179.7° | 180.0° |
| C14 | C13 | N1 | O | 178.3° | 180.0° |
| C13 | C14 | C15 | H6 | 1.9° | 0.0° |
| C14 | C13 | N1 | H16 | 179.7° | 180.0° |
| O | C13 | N1 | H16 | 2.0° | 0.1° |
| H2 | C7 | C8 | H3 | 0.4° | 0.0° |
| H4 | C10 | C11 | H5 | 2.8° | 0.0° |
| H6 | C15 | C16 | H7 | 0.3° | 0.0° |
| H7 | C16 | C17 | H18 | 0.3° | 0.5° |
| H8 | C20 | O1 | H17 | 59.6° | 59.9° |
| H9 | C20 | O1 | H17 | 59.5° | 60.1° |
| H10 | C21 | C22 | H12 | 53.9° | 61.7° |
| H10 | C21 | C22 | H13 | 65.5° | 58.3° |
| H11 | C21 | C22 | H12 | 173.4° | 58.4° |
| H11 | C21 | C22 | H13 | 53.9° | 178.4° |
| H14 | C24 | C23 | H23 | 28.8° | 61.7° |
| H15 | C24 | C23 | H23 | 87.9° | 58.4° |
| H19 | C | H20 | H21 | 120.0° | 119.9° |
| H23 | C23 | C25 | H24 | 61.5° | 179.9° |
| H23 | C23 | C25 | H25 | 58.5° | 60.0° |
| H23 | C23 | C25 | H26 | 178.5° | 60.1° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H28 | C26 | H29 | H30 | 120.0° | 120.0° |
