8I1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| N1 | C7 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C8 | sing | 1.32Å | 1.36Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| N2 | C10 | doub | 1.30Å | 1.35Å | Aromatic |
| N2 | C11 | sing | 1.34Å | 1.34Å | Aromatic |
| O2 | C13 | sing | 1.36Å | 1.38Å | |
| O2 | C14 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| N3 | C8 | sing | 1.38Å | 1.39Å | |
| O3 | C17 | sing | 1.36Å | 1.37Å | |
| O3 | C20 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.46Å | 1.44Å | Aromatic |
| C4 | C11 | doub | 1.42Å | 1.41Å | Aromatic |
| N4 | C18 | doub | 1.32Å | 1.36Å | Aromatic |
| N4 | C19 | sing | 1.32Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| N5 | C21 | sing | 1.47Å | 1.50Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C15 | sing | 1.48Å | 1.48Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| N5 | HN5 | sing | 1.01Å | 1.00Å | |
| N5 | HN5A | sing | 1.01Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 120.2° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H1A | 109.5° | 109.5° |
| O1 | C1 | H1B | 109.5° | 109.5° |
| C7 | N1 | C8 | 120.2° | 122.5° |
| N1 | C7 | C6 | 120.8° | 121.3° |
| N1 | C7 | C15 | 116.2° | 119.4° |
| N1 | C8 | N3 | 116.7° | 119.9° |
| N1 | C8 | C9 | 121.6° | 120.0° |
| O1 | C2 | C3 | 124.8° | 119.8° |
| O1 | C2 | C13 | 116.4° | 119.8° |
| C3 | C2 | C13 | 118.8° | 120.4° |
| C2 | C3 | C4 | 122.6° | 119.7° |
| C2 | C3 | H3 | 118.6° | 120.2° |
| C2 | C13 | O2 | 116.2° | 119.7° |
| C2 | C13 | C12 | 118.9° | 120.6° |
| C10 | N2 | C11 | 118.6° | 123.5° |
| N2 | C10 | C9 | 125.3° | 121.7° |
| N2 | C10 | H10 | 117.4° | 119.2° |
| N2 | C11 | C4 | 122.6° | 120.2° |
| N2 | C11 | C12 | 117.5° | 120.7° |
| C13 | O2 | C14 | 120.2° | 117.0° |
| O2 | C13 | C12 | 124.9° | 119.7° |
| O2 | C14 | H14 | 109.5° | 109.5° |
| O2 | C14 | H14A | 109.5° | 109.5° |
| O2 | C14 | H14B | 109.5° | 109.4° |
| C3 | C4 | C5 | 124.9° | 121.8° |
| C3 | C4 | C11 | 117.3° | 120.2° |
| C4 | C3 | H3 | 118.7° | 120.1° |
| N3 | C8 | C9 | 121.7° | 120.0° |
| C8 | N3 | HN3 | 109.5° | 120.1° |
| C8 | N3 | HN3A | 109.4° | 120.0° |
| C17 | O3 | C20 | 120.9° | 117.0° |
| O3 | C17 | C16 | 113.9° | 120.4° |
| O3 | C17 | C18 | 129.1° | 120.4° |
| O3 | C20 | C21 | 109.2° | 109.5° |
| O3 | C20 | H20 | 109.5° | 109.5° |
| O3 | C20 | H20A | 109.5° | 109.4° |
| C5 | C4 | C11 | 117.8° | 117.9° |
| C4 | C5 | C6 | 124.0° | 123.3° |
| C4 | C5 | C9 | 119.2° | 117.7° |
| C4 | C11 | C12 | 119.9° | 119.1° |
| C18 | N4 | C19 | 117.1° | 121.9° |
| N4 | C18 | C17 | 123.6° | 121.0° |
| N4 | C18 | H18 | 118.2° | 119.5° |
| N4 | C19 | C15 | 124.8° | 120.7° |
| N4 | C19 | H19 | 117.6° | 119.6° |
| C6 | C5 | C9 | 116.8° | 118.9° |
| C5 | C6 | C7 | 121.2° | 118.6° |
| C5 | C6 | H6 | 119.4° | 120.7° |
| C5 | C9 | C8 | 119.4° | 118.6° |
| C5 | C9 | C10 | 116.5° | 118.9° |
| N5 | C21 | C20 | 107.5° | 109.5° |
| N5 | C21 | C22 | 107.7° | 109.5° |
| C21 | N5 | HN5 | 109.5° | 111.0° |
| C21 | N5 | HN5A | 109.4° | 111.0° |
| N5 | C21 | H21 | 114.9° | 109.5° |
| C6 | C7 | C15 | 123.0° | 119.3° |
| C7 | C6 | H6 | 119.4° | 120.7° |
| C7 | C15 | C16 | 120.8° | 120.5° |
| C7 | C15 | C19 | 124.1° | 120.6° |
| C8 | C9 | C10 | 124.1° | 122.5° |
| C9 | C10 | H10 | 117.4° | 119.1° |
| C11 | C12 | C13 | 122.5° | 120.0° |
| C11 | C12 | H12 | 118.8° | 120.0° |
| C13 | C12 | H12 | 118.8° | 120.0° |
| C16 | C15 | C19 | 115.1° | 119.0° |
| C15 | C16 | C17 | 122.4° | 118.3° |
| C15 | C16 | H16 | 118.8° | 120.8° |
| C15 | C19 | H19 | 117.6° | 119.6° |
| C16 | C17 | C18 | 117.0° | 119.2° |
| C17 | C16 | H16 | 118.8° | 120.9° |
| C17 | C18 | H18 | 118.2° | 119.5° |
| C20 | C21 | C22 | 116.9° | 109.5° |
| C21 | C20 | H20 | 109.6° | 109.5° |
| C21 | C20 | H20A | 109.6° | 109.5° |
| C20 | C21 | H21 | 105.2° | 109.5° |
| C21 | C22 | C23 | 115.6° | 109.5° |
| C22 | C21 | H21 | 105.0° | 109.5° |
| C21 | C22 | H22 | 107.5° | 109.5° |
| C21 | C22 | H22A | 107.5° | 109.4° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C22 | C23 | C28 | 120.5° | 120.0° |
| C23 | C22 | H22 | 107.5° | 109.5° |
| C23 | C22 | H22A | 107.5° | 109.5° |
| C24 | C23 | C28 | 119.2° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C23 | C28 | C27 | 120.2° | 120.0° |
| C23 | C28 | H28 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C27 | C26 | H26 | 120.0° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| HN3 | N3 | HN3A | 109.4° | 120.0° |
| HN5 | N5 | HN5A | 109.4° | 111.1° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H22 | C22 | H22A | 111.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 19.0° | 0.0° |
| C1 | O1 | C2 | C13 | 161.4° | 180.0° |
| O1 | C1 | H1 | H1A | 120.0° | 120.0° |
| O1 | C1 | H1 | H1B | 120.0° | 120.1° |
| O1 | C1 | H1A | H1B | 120.0° | 120.1° |
| C7 | N1 | C8 | N3 | 179.7° | 180.0° |
| N1 | C7 | C6 | C5 | 0.1° | 0.0° |
| N1 | C7 | C6 | C15 | 179.7° | 180.0° |
| C7 | N1 | C8 | C9 | 0.3° | 0.0° |
| N1 | C7 | C15 | C16 | 157.8° | 0.1° |
| N1 | C7 | C15 | C19 | 23.0° | 179.9° |
| N1 | C7 | C6 | H6 | 179.9° | 180.0° |
| N1 | C8 | N3 | C9 | 180.0° | 180.0° |
| N1 | C8 | C9 | C5 | 0.4° | 0.0° |
| C8 | N1 | C7 | C6 | 0.0° | 0.0° |
| C8 | N1 | C7 | C15 | 179.7° | 180.0° |
| N1 | C8 | C9 | C10 | 179.7° | 180.0° |
| N1 | C8 | N3 | HN3 | 0.0° | 0.1° |
| N1 | C8 | N3 | HN3A | 120.0° | 180.0° |
| O1 | C2 | C3 | C13 | 179.6° | 180.0° |
| O1 | C2 | C13 | O2 | 0.1° | 0.0° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| O1 | C2 | C13 | C12 | 179.9° | 179.9° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H1A | 60.0° | 60.0° |
| C2 | O1 | C1 | H1B | 60.0° | 60.0° |
| O1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C2 | C13 | O2 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.8° | 179.9° |
| C2 | C3 | C4 | C11 | 0.2° | 0.0° |
| C3 | C2 | C13 | C12 | 0.2° | 0.1° |
| C2 | C13 | O2 | C12 | 180.0° | 179.9° |
| C2 | C13 | O2 | C14 | 174.4° | 180.0° |
| C13 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C13 | C12 | C11 | 0.0° | 0.1° |
| C13 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C13 | C12 | H12 | 180.0° | 180.0° |
| C10 | N2 | C11 | C4 | 0.1° | 0.1° |
| N2 | C10 | C9 | C5 | 0.3° | 0.1° |
| N2 | C10 | C9 | C8 | 179.5° | 179.9° |
| N2 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | N2 | C11 | C12 | 179.9° | 180.0° |
| N2 | C11 | C4 | C3 | 179.9° | 179.9° |
| N2 | C11 | C4 | C5 | 0.0° | 0.0° |
| N2 | C11 | C4 | C12 | 179.9° | 179.9° |
| C11 | N2 | C10 | C9 | 0.1° | 0.1° |
| N2 | C11 | C12 | C13 | 179.8° | 180.0° |
| C11 | N2 | C10 | H10 | 180.0° | 180.0° |
| N2 | C11 | C12 | H12 | 0.2° | 0.1° |
| O2 | C13 | C12 | C11 | 180.0° | 180.0° |
| O2 | C13 | C12 | H12 | 0.0° | 0.1° |
| C13 | O2 | C14 | H14 | 180.0° | 180.0° |
| C13 | O2 | C14 | H14A | 60.0° | 59.9° |
| C13 | O2 | C14 | H14B | 60.0° | 60.0° |
| C14 | O2 | C13 | C12 | 5.6° | 0.1° |
| O2 | C14 | H14 | H14A | 120.0° | 120.0° |
| O2 | C14 | H14 | H14B | 120.0° | 119.9° |
| O2 | C14 | H14A | H14B | 120.0° | 120.0° |
| C3 | C4 | C5 | C11 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | C9 | 179.8° | 180.0° |
| C3 | C4 | C11 | C12 | 0.1° | 0.0° |
| N3 | C8 | C9 | C5 | 179.6° | 180.0° |
| N3 | C8 | C9 | C10 | 0.3° | 0.1° |
| C8 | N3 | HN3 | HN3A | 120.0° | 179.9° |
| O3 | C17 | C18 | N4 | 179.8° | 180.0° |
| O3 | C17 | C16 | C15 | 179.9° | 180.0° |
| O3 | C17 | C16 | C18 | 179.8° | 180.0° |
| C17 | O3 | C20 | C21 | 160.6° | 180.0° |
| O3 | C17 | C16 | H16 | 0.2° | 0.0° |
| O3 | C17 | C18 | H18 | 0.2° | 0.0° |
| C17 | O3 | C20 | H20 | 79.4° | 60.0° |
| C17 | O3 | C20 | H20A | 40.6° | 60.0° |
| O3 | C20 | C21 | N5 | 54.1° | 65.0° |
| C20 | O3 | C17 | C16 | 172.6° | 180.0° |
| C20 | O3 | C17 | C18 | 7.6° | 0.0° |
| O3 | C20 | C21 | H20 | 120.0° | 120.0° |
| O3 | C20 | C21 | H20A | 120.0° | 120.0° |
| O3 | C20 | C21 | C22 | 67.0° | 175.0° |
| O3 | C20 | H20 | H20A | 120.1° | 120.0° |
| O3 | C20 | C21 | H21 | 176.9° | 55.0° |
| C4 | C5 | C6 | C9 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C9 | C8 | 179.6° | 180.0° |
| C4 | C5 | C9 | C10 | 0.3° | 0.0° |
| C5 | C4 | C11 | C12 | 179.9° | 179.9° |
| C5 | C4 | C3 | H3 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 0.1° | 0.0° |
| C11 | C4 | C5 | C6 | 179.7° | 179.9° |
| C11 | C4 | C5 | C9 | 0.2° | 0.0° |
| C4 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C11 | C12 | H12 | 179.8° | 180.0° |
| C18 | N4 | C19 | C15 | 0.5° | 0.1° |
| N4 | C18 | C17 | C16 | 0.4° | 0.0° |
| N4 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | N4 | C19 | H19 | 179.5° | 180.0° |
| N4 | C19 | C15 | C7 | 179.7° | 180.0° |
| N4 | C19 | C15 | C16 | 0.4° | 0.1° |
| N4 | C19 | C15 | H19 | 180.0° | 179.9° |
| C19 | N4 | C18 | C17 | 0.5° | 0.0° |
| C19 | N4 | C18 | H18 | 179.5° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C15 | 179.5° | 180.0° |
| C6 | C5 | C9 | C8 | 0.2° | 0.0° |
| C6 | C5 | C9 | C10 | 179.5° | 179.9° |
| C9 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C9 | C8 | C10 | 179.3° | 180.0° |
| C9 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C9 | C10 | H10 | 179.7° | 180.0° |
| N5 | C21 | C20 | C22 | 121.1° | 120.0° |
| N5 | C21 | C20 | H21 | 122.8° | 120.0° |
| N5 | C21 | C22 | H21 | 122.8° | 120.0° |
| N5 | C21 | C22 | C23 | 124.8° | 65.0° |
| C21 | N5 | HN5 | HN5A | 120.0° | 124.0° |
| N5 | C21 | C20 | H20 | 65.9° | 175.0° |
| N5 | C21 | C20 | H20A | 174.0° | 55.0° |
| N5 | C21 | C22 | H22 | 4.8° | 175.0° |
| N5 | C21 | C22 | H22A | 115.2° | 55.0° |
| C6 | C7 | C15 | C16 | 22.5° | 180.0° |
| C6 | C7 | C15 | C19 | 156.7° | 0.1° |
| C7 | C15 | C16 | C19 | 179.3° | 179.9° |
| C7 | C15 | C16 | C17 | 179.7° | 180.0° |
| C15 | C7 | C6 | H6 | 0.5° | 0.0° |
| C7 | C15 | C16 | H16 | 0.3° | 0.1° |
| C7 | C15 | C19 | H19 | 0.3° | 0.1° |
| C9 | C8 | N3 | HN3 | 180.0° | 179.9° |
| C9 | C8 | N3 | HN3A | 60.0° | 0.0° |
| C8 | C9 | C10 | H10 | 0.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C16 | C15 | C19 | H19 | 179.5° | 180.0° |
| C19 | C15 | C16 | C17 | 0.4° | 0.1° |
| C19 | C15 | C16 | H16 | 179.6° | 180.0° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C18 | C17 | C16 | H16 | 179.6° | 180.0° |
| C20 | C21 | C22 | H21 | 116.1° | 120.0° |
| C20 | C21 | C22 | C23 | 3.8° | 175.0° |
| C20 | C21 | N5 | HN5 | 180.0° | 60.1° |
| C20 | C21 | N5 | HN5A | 60.0° | 64.0° |
| C21 | C20 | H20 | H20A | 120.1° | 120.0° |
| C20 | C21 | C22 | H22 | 116.2° | 55.0° |
| C20 | C21 | C22 | H22A | 123.8° | 65.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 96.5° | 90.0° |
| C21 | C22 | C23 | C28 | 83.0° | 90.3° |
| C22 | C21 | N5 | HN5 | 53.2° | 59.9° |
| C22 | C21 | N5 | HN5A | 66.7° | 176.0° |
| C22 | C21 | C20 | H20 | 173.0° | 55.0° |
| C22 | C21 | C20 | H20A | 52.9° | 65.0° |
| C21 | C22 | H22 | H22A | 117.5° | 120.0° |
| C22 | C23 | C24 | C28 | 179.5° | 179.7° |
| C22 | C23 | C24 | C25 | 179.1° | 180.0° |
| C22 | C23 | C28 | C27 | 179.2° | 179.8° |
| C23 | C22 | C21 | H21 | 112.3° | 55.0° |
| C23 | C22 | H22 | H22A | 117.5° | 120.0° |
| C22 | C23 | C24 | H24 | 0.8° | 0.0° |
| C22 | C23 | C28 | H28 | 0.7° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C24 | C23 | C28 | C27 | 0.3° | 0.5° |
| C24 | C23 | C22 | H22 | 23.4° | 30.0° |
| C24 | C23 | C22 | H22A | 143.5° | 150.0° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| C24 | C23 | C28 | H28 | 179.8° | 179.8° |
| C28 | C23 | C24 | C25 | 0.4° | 0.2° |
| C23 | C28 | C27 | C26 | 0.2° | 0.5° |
| C23 | C28 | C27 | H28 | 180.0° | 179.7° |
| C28 | C23 | C22 | H22 | 157.1° | 149.7° |
| C28 | C23 | C22 | H22A | 37.0° | 29.7° |
| C28 | C23 | C24 | H24 | 179.7° | 179.7° |
| C23 | C28 | C27 | H27 | 179.7° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C24 | C25 | C26 | H26 | 179.6° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.2° |
| C26 | C25 | C24 | H24 | 179.6° | 180.0° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C27 | C26 | C25 | H25 | 179.6° | 180.0° |
| C26 | C27 | C28 | H28 | 179.8° | 179.8° |
| C28 | C27 | C26 | H26 | 179.7° | 179.8° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| HN5 | N5 | C21 | H21 | 63.3° | 180.0° |
| HN5A | N5 | C21 | H21 | 176.7° | 56.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 56.9° | 65.0° |
| H20A | C20 | C21 | H21 | 63.1° | 175.0° |
| H21 | C21 | C22 | H22 | 127.7° | 65.0° |
| H21 | C21 | C22 | H22A | 7.7° | 175.0° |
| H24 | C24 | C25 | H25 | 0.4° | 0.1° |
| H25 | C25 | C26 | H26 | 0.4° | 0.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
