B99
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C3 | sing | 1.47Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.44Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O1 | C11 | sing | 1.36Å | 1.38Å | |
| C11 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | O1 | sing | 1.43Å | 1.41Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | N3 | sing | 1.47Å | 1.48Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.47Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C22 | sing | 1.46Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.38Å | Aromatic |
| C16 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | N4 | sing | 1.38Å | 1.36Å | Aromatic |
| C22 | C17 | doub | 1.41Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.37Å | 1.37Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | N5 | doub | 1.33Å | 1.33Å | Aromatic |
| C24 | C25 | sing | 1.48Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.47Å | 1.42Å | Aromatic |
| C25 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.34Å | 1.38Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | O2 | sing | 1.34Å | 1.36Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | O2 | sing | 1.34Å | 1.36Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C1 | C2 | N1 | 122.4° | 126.1° |
| C1 | C2 | C8 | 133.4° | 126.1° |
| H1 | C1 | H1A | 109.4° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| N1 | C2 | C8 | 104.2° | 107.8° |
| C2 | N1 | N2 | 113.4° | 110.0° |
| C2 | N1 | HN1 | 123.3° | 125.0° |
| C2 | C8 | C3 | 107.7° | 106.4° |
| C2 | C8 | C7 | 123.6° | 134.7° |
| N1 | N2 | C3 | 105.5° | 109.0° |
| N2 | N1 | HN1 | 123.3° | 125.0° |
| N2 | C3 | C8 | 109.2° | 106.7° |
| N2 | C3 | C4 | 130.2° | 134.4° |
| C8 | C3 | C4 | 120.7° | 118.9° |
| C3 | C8 | C7 | 128.7° | 118.9° |
| C3 | C4 | C5 | 111.3° | 119.9° |
| C3 | C4 | H4 | 124.3° | 120.1° |
| C5 | C4 | H4 | 124.4° | 120.0° |
| C4 | C5 | C6 | 127.0° | 121.7° |
| C4 | C5 | H5 | 116.5° | 119.2° |
| C6 | C5 | H5 | 116.5° | 119.2° |
| C5 | C6 | C7 | 123.0° | 121.3° |
| C5 | C6 | C9 | 117.9° | 119.3° |
| C7 | C6 | C9 | 119.0° | 119.4° |
| C6 | C7 | C8 | 109.3° | 119.4° |
| C6 | C7 | H7 | 125.3° | 120.3° |
| C6 | C9 | C10 | 120.5° | 120.6° |
| C6 | C9 | C24 | 121.3° | 120.6° |
| C8 | C7 | H7 | 125.3° | 120.3° |
| C10 | C9 | C24 | 118.2° | 118.9° |
| C9 | C10 | C11 | 117.0° | 118.4° |
| C9 | C10 | H10 | 121.5° | 120.8° |
| C9 | C24 | N5 | 125.9° | 120.5° |
| C9 | C24 | C25 | 120.0° | 119.8° |
| C11 | C10 | H10 | 121.5° | 120.8° |
| C10 | C11 | O1 | 120.5° | 120.3° |
| C10 | C11 | C23 | 120.7° | 119.4° |
| O1 | C11 | C23 | 118.8° | 120.3° |
| C11 | O1 | C12 | 103.9° | 117.0° |
| C11 | C23 | N5 | 123.5° | 121.1° |
| C11 | C23 | H23 | 118.3° | 119.4° |
| O1 | C12 | C13 | 107.7° | 109.5° |
| O1 | C12 | H12 | 110.1° | 109.5° |
| O1 | C12 | H12A | 110.1° | 109.5° |
| C13 | C12 | H12 | 110.1° | 109.5° |
| C13 | C12 | H12A | 110.1° | 109.5° |
| C12 | C13 | C14 | 110.1° | 109.5° |
| C12 | C13 | N3 | 108.1° | 109.5° |
| C12 | C13 | H13 | 108.7° | 109.5° |
| H12 | C12 | H12A | 108.8° | 109.4° |
| C14 | C13 | N3 | 105.2° | 109.4° |
| C14 | C13 | H13 | 111.4° | 109.5° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H14A | 108.9° | 109.5° |
| N3 | C13 | H13 | 113.3° | 109.5° |
| C13 | N3 | HN3 | 109.5° | 111.1° |
| C13 | N3 | HN3A | 109.5° | 111.0° |
| HN3 | N3 | HN3A | 109.4° | 111.0° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C15 | C14 | H14A | 108.9° | 109.5° |
| C14 | C15 | C22 | 126.2° | 126.5° |
| C14 | C15 | C16 | 126.4° | 126.5° |
| H14 | C14 | H14A | 110.1° | 109.5° |
| C22 | C15 | C16 | 107.4° | 107.0° |
| C15 | C22 | C17 | 107.4° | 106.0° |
| C15 | C22 | C21 | 132.9° | 134.0° |
| C15 | C16 | N4 | 107.4° | 109.9° |
| C15 | C16 | H16 | 126.3° | 125.0° |
| N4 | C16 | H16 | 126.3° | 125.1° |
| C16 | N4 | C17 | 110.8° | 109.9° |
| C16 | N4 | HN4 | 124.6° | 125.1° |
| N4 | C17 | C22 | 107.0° | 107.1° |
| N4 | C17 | C18 | 128.2° | 133.5° |
| C17 | N4 | HN4 | 124.6° | 125.0° |
| C22 | C17 | C18 | 124.8° | 119.3° |
| C17 | C22 | C21 | 119.7° | 119.9° |
| C17 | C18 | C19 | 114.2° | 119.8° |
| C17 | C18 | H18 | 122.9° | 120.2° |
| C19 | C18 | H18 | 122.9° | 120.1° |
| C18 | C19 | C20 | 122.3° | 120.7° |
| C18 | C19 | H19 | 118.8° | 119.7° |
| C20 | C19 | H19 | 118.9° | 119.6° |
| C19 | C20 | C21 | 122.8° | 120.5° |
| C19 | C20 | H20 | 118.6° | 119.8° |
| C21 | C20 | H20 | 118.6° | 119.7° |
| C20 | C21 | C22 | 116.1° | 119.7° |
| C20 | C21 | H21 | 121.9° | 120.1° |
| C22 | C21 | H21 | 121.9° | 120.1° |
| N5 | C23 | H23 | 118.3° | 119.5° |
| C23 | N5 | C24 | 114.8° | 121.8° |
| N5 | C24 | C25 | 114.1° | 119.7° |
| C24 | C25 | C26 | 131.6° | 127.1° |
| C24 | C25 | C28 | 121.6° | 127.1° |
| C26 | C25 | C28 | 106.9° | 105.7° |
| C25 | C26 | C27 | 105.9° | 106.0° |
| C25 | C26 | H26 | 127.0° | 127.0° |
| C25 | C28 | O2 | 109.7° | 108.5° |
| C25 | C28 | H28 | 125.2° | 125.8° |
| C27 | C26 | H26 | 127.0° | 127.0° |
| C26 | C27 | O2 | 110.2° | 109.0° |
| C26 | C27 | H27 | 124.9° | 125.5° |
| O2 | C27 | H27 | 124.9° | 125.5° |
| C27 | O2 | C28 | 107.3° | 110.8° |
| O2 | C28 | H28 | 125.2° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.1° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | N1 | C8 | 179.9° | 179.8° |
| C1 | C2 | N1 | N2 | 180.0° | 180.0° |
| C1 | C2 | C8 | C3 | 180.0° | 179.9° |
| C1 | C2 | C8 | C7 | 0.2° | 0.6° |
| C1 | C2 | N1 | HN1 | 0.0° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | N1 | 90.0° | 90.0° |
| H1 | C1 | C2 | C8 | 89.9° | 90.2° |
| H1A | C1 | C2 | N1 | 150.0° | 150.0° |
| H1A | C1 | C2 | C8 | 30.1° | 29.8° |
| H1B | C1 | C2 | N1 | 30.0° | 30.0° |
| H1B | C1 | C2 | C8 | 150.1° | 149.8° |
| C2 | N1 | N2 | HN1 | 180.0° | 180.0° |
| C2 | N1 | N2 | C3 | 0.0° | 0.0° |
| N1 | C2 | C8 | C3 | 0.1° | 0.3° |
| N1 | C2 | C8 | C7 | 179.9° | 179.6° |
| C8 | C2 | N1 | N2 | 0.0° | 0.2° |
| C2 | C8 | C3 | N2 | 0.1° | 0.3° |
| C2 | C8 | C3 | C7 | 179.9° | 179.5° |
| C2 | C8 | C3 | C4 | 179.9° | 179.9° |
| C2 | C8 | C7 | C6 | 179.8° | 179.7° |
| C2 | C8 | C7 | H7 | 0.2° | 0.5° |
| C8 | C2 | N1 | HN1 | 179.9° | 179.8° |
| N1 | N2 | C3 | C8 | 0.0° | 0.1° |
| N1 | N2 | C3 | C4 | 179.9° | 180.0° |
| N2 | C3 | C8 | C4 | 179.9° | 179.9° |
| N2 | C3 | C4 | C5 | 180.0° | 180.0° |
| N2 | C3 | C4 | H4 | 0.0° | 0.1° |
| N2 | C3 | C8 | C7 | 179.9° | 179.7° |
| C3 | N2 | N1 | HN1 | 180.0° | 180.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.2° |
| C8 | C3 | C4 | H4 | 179.8° | 179.8° |
| C3 | C8 | C7 | C6 | 0.1° | 0.4° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.4° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | C9 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| C5 | C6 | C7 | C9 | 179.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C5 | C6 | C7 | H7 | 179.7° | 179.9° |
| C5 | C6 | C9 | C10 | 121.9° | 130.3° |
| C5 | C6 | C9 | C24 | 58.0° | 50.0° |
| H5 | C5 | C6 | C7 | 179.7° | 180.0° |
| H5 | C5 | C6 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C7 | C6 | C9 | C10 | 57.9° | 49.7° |
| C7 | C6 | C9 | C24 | 122.2° | 129.9° |
| C9 | C6 | C7 | C8 | 179.9° | 179.8° |
| C9 | C6 | C7 | H7 | 0.1° | 0.0° |
| C6 | C9 | C10 | C24 | 179.9° | 179.7° |
| C6 | C9 | C10 | C11 | 179.8° | 179.9° |
| C6 | C9 | C10 | H10 | 0.2° | 0.0° |
| C6 | C9 | C24 | N5 | 179.8° | 179.8° |
| C6 | C9 | C24 | C25 | 0.2° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | O1 | 179.5° | 180.0° |
| C9 | C10 | C11 | C23 | 0.0° | 0.1° |
| C10 | C9 | C24 | N5 | 0.2° | 0.6° |
| C10 | C9 | C24 | C25 | 179.7° | 179.7° |
| C24 | C9 | C10 | C11 | 0.2° | 0.2° |
| C24 | C9 | C10 | H10 | 179.8° | 179.7° |
| C9 | C24 | N5 | C23 | 0.0° | 0.6° |
| C9 | C24 | N5 | C25 | 179.6° | 179.7° |
| C9 | C24 | C25 | C26 | 48.9° | 145.2° |
| C9 | C24 | C25 | C28 | 130.6° | 35.0° |
| C10 | C11 | O1 | C23 | 179.5° | 179.9° |
| C10 | C11 | O1 | C12 | 54.3° | 180.0° |
| C10 | C11 | C23 | N5 | 0.1° | 0.1° |
| C10 | C11 | C23 | H23 | 179.9° | 180.0° |
| H10 | C10 | C11 | O1 | 0.5° | 0.1° |
| H10 | C10 | C11 | C23 | 180.0° | 180.0° |
| C11 | O1 | C12 | C13 | 167.1° | 180.0° |
| C11 | O1 | C12 | H12 | 47.0° | 59.9° |
| C11 | O1 | C12 | H12A | 72.9° | 60.0° |
| O1 | C11 | C23 | N5 | 179.6° | 180.0° |
| O1 | C11 | C23 | H23 | 0.4° | 0.1° |
| C23 | C11 | O1 | C12 | 126.1° | 0.1° |
| C11 | C23 | N5 | H23 | 180.0° | 179.9° |
| C11 | C23 | N5 | C24 | 0.1° | 0.2° |
| O1 | C12 | C13 | H12 | 120.0° | 120.0° |
| O1 | C12 | C13 | H12A | 120.0° | 120.0° |
| O1 | C12 | H12 | H12A | 120.7° | 120.0° |
| O1 | C12 | C13 | C14 | 103.6° | 175.0° |
| O1 | C12 | C13 | N3 | 10.8° | 65.0° |
| O1 | C12 | C13 | H13 | 134.2° | 55.0° |
| C13 | C12 | H12 | H12A | 120.7° | 120.0° |
| C12 | C13 | C14 | N3 | 116.2° | 120.0° |
| C12 | C13 | C14 | H13 | 120.7° | 120.0° |
| C12 | C13 | N3 | H13 | 120.5° | 120.0° |
| C12 | C13 | N3 | HN3 | 180.0° | 60.0° |
| C12 | C13 | N3 | HN3A | 60.0° | 176.0° |
| C12 | C13 | C14 | C15 | 63.4° | 175.0° |
| C12 | C13 | C14 | H14 | 56.5° | 65.0° |
| C12 | C13 | C14 | H14A | 176.6° | 55.0° |
| H12 | C12 | C13 | C14 | 16.5° | 65.0° |
| H12 | C12 | C13 | N3 | 130.8° | 55.0° |
| H12 | C12 | C13 | H13 | 105.8° | 175.0° |
| H12A | C12 | C13 | C14 | 136.4° | 55.0° |
| H12A | C12 | C13 | N3 | 109.2° | 174.9° |
| H12A | C12 | C13 | H13 | 14.2° | 65.0° |
| C14 | C13 | N3 | H13 | 121.9° | 120.0° |
| C14 | C13 | N3 | HN3 | 62.4° | 60.0° |
| C14 | C13 | N3 | HN3A | 177.6° | 64.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 119.3° | 120.0° |
| C13 | C14 | C15 | C22 | 114.2° | 85.1° |
| C13 | C14 | C15 | C16 | 66.0° | 94.7° |
| C13 | N3 | HN3 | HN3A | 120.0° | 124.0° |
| N3 | C13 | C14 | C15 | 52.8° | 65.0° |
| N3 | C13 | C14 | H14 | 172.7° | 55.0° |
| N3 | C13 | C14 | H14A | 67.2° | 175.0° |
| H13 | C13 | N3 | HN3 | 59.5° | 180.0° |
| H13 | C13 | N3 | HN3A | 60.5° | 56.0° |
| H13 | C13 | C14 | C15 | 175.9° | 55.0° |
| H13 | C13 | C14 | H14 | 64.1° | 175.0° |
| H13 | C13 | C14 | H14A | 55.9° | 65.0° |
| C15 | C14 | H14 | H14A | 119.3° | 120.0° |
| C14 | C15 | C22 | C16 | 179.9° | 179.8° |
| C14 | C15 | C16 | N4 | 179.9° | 180.0° |
| C14 | C15 | C16 | H16 | 0.1° | 0.1° |
| C14 | C15 | C22 | C17 | 179.9° | 179.8° |
| C14 | C15 | C22 | C21 | 0.0° | 0.8° |
| H14 | C14 | C15 | C22 | 5.8° | 35.0° |
| H14 | C14 | C15 | C16 | 174.0° | 145.3° |
| H14A | C14 | C15 | C22 | 125.8° | 155.0° |
| H14A | C14 | C15 | C16 | 54.0° | 25.3° |
| C22 | C15 | C16 | N4 | 0.1° | 0.2° |
| C22 | C15 | C16 | H16 | 179.9° | 179.7° |
| C15 | C22 | C17 | N4 | 0.0° | 0.4° |
| C15 | C22 | C17 | C21 | 179.9° | 179.2° |
| C15 | C22 | C17 | C18 | 180.0° | 179.8° |
| C15 | C22 | C21 | C20 | 179.9° | 179.6° |
| C15 | C22 | C21 | H21 | 0.1° | 0.7° |
| C15 | C16 | N4 | H16 | 180.0° | 180.0° |
| C15 | C16 | N4 | C17 | 0.0° | 0.0° |
| C16 | C15 | C22 | C17 | 0.1° | 0.4° |
| C16 | C15 | C22 | C21 | 179.9° | 179.4° |
| C15 | C16 | N4 | HN4 | 180.0° | 180.0° |
| C16 | N4 | C17 | HN4 | 180.0° | 179.9° |
| C16 | N4 | C17 | C22 | 0.0° | 0.3° |
| C16 | N4 | C17 | C18 | 180.0° | 180.0° |
| H16 | C16 | N4 | C17 | 179.9° | 180.0° |
| H16 | C16 | N4 | HN4 | 0.0° | 0.1° |
| N4 | C17 | C22 | C18 | 180.0° | 179.8° |
| N4 | C17 | C18 | C19 | 179.9° | 180.0° |
| N4 | C17 | C18 | H18 | 0.1° | 0.0° |
| N4 | C17 | C22 | C21 | 179.9° | 179.6° |
| C22 | C17 | C18 | C19 | 0.1° | 0.2° |
| C22 | C17 | C18 | H18 | 179.9° | 179.7° |
| C17 | C22 | C21 | C20 | 0.0° | 0.7° |
| C17 | C22 | C21 | H21 | 180.0° | 179.6° |
| C22 | C17 | N4 | HN4 | 180.0° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.6° |
| C18 | C17 | N4 | HN4 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H20 | 179.8° | 179.9° |
| H18 | C18 | C19 | C20 | 180.0° | 180.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.4° |
| C19 | C20 | C21 | H21 | 179.8° | 179.9° |
| H19 | C19 | C20 | C21 | 179.8° | 179.9° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| H20 | C20 | C21 | C22 | 179.8° | 179.7° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| C23 | N5 | C24 | C25 | 179.6° | 179.7° |
| H23 | C23 | N5 | C24 | 179.9° | 179.7° |
| N5 | C24 | C25 | C26 | 131.5° | 34.5° |
| N5 | C24 | C25 | C28 | 49.0° | 145.3° |
| C24 | C25 | C26 | C28 | 179.6° | 179.8° |
| C24 | C25 | C26 | C27 | 179.5° | 180.0° |
| C24 | C25 | C26 | H26 | 0.6° | 0.0° |
| C24 | C25 | C28 | O2 | 179.6° | 179.8° |
| C24 | C25 | C28 | H28 | 0.3° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | O2 | 0.2° | 0.1° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C26 | C25 | C28 | O2 | 0.0° | 0.4° |
| C26 | C25 | C28 | H28 | 179.9° | 179.7° |
| C28 | C25 | C26 | C27 | 0.1° | 0.2° |
| C28 | C25 | C26 | H26 | 179.9° | 179.8° |
| C25 | C28 | O2 | C27 | 0.2° | 0.4° |
| C25 | C28 | O2 | H28 | 180.0° | 179.9° |
| C26 | C27 | O2 | H27 | 180.0° | 179.9° |
| C26 | C27 | O2 | C28 | 0.2° | 0.3° |
| H26 | C26 | C27 | O2 | 179.8° | 180.0° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
| C27 | O2 | C28 | H28 | 179.8° | 179.7° |
| H27 | C27 | O2 | C28 | 179.8° | 179.8° |
