DYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.47Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | C5 | sing | 1.47Å | 1.46Å | |
| O | C3 | sing | 1.43Å | 1.48Å | |
| O | C6 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C9 | sing | 1.40Å | 1.41Å | |
| N1 | C13 | sing | 1.38Å | 1.37Å | |
| O1 | C10 | sing | 1.36Å | 1.37Å | |
| O1 | C12 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C13 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| N3 | C13 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N4 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.46Å | |
| C17 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | C20 | sing | 1.47Å | 1.46Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.37Å | 1.39Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 110.6° | 111.1° |
| C | N | C5 | 110.7° | 111.0° |
| N | C | H | 109.5° | 109.4° |
| N | C | HA | 109.5° | 109.5° |
| N | C | HB | 109.5° | 109.5° |
| C1 | N | C5 | 109.7° | 111.2° |
| N | C1 | C2 | 111.2° | 109.6° |
| N | C1 | H1 | 109.0° | 109.4° |
| N | C1 | H1A | 109.0° | 109.4° |
| N | C5 | C4 | 111.2° | 109.5° |
| N | C5 | H5 | 109.0° | 109.4° |
| N | C5 | H5A | 109.0° | 109.4° |
| C3 | O | C6 | 119.1° | 117.0° |
| O | C3 | C2 | 112.0° | 109.5° |
| O | C3 | C4 | 109.7° | 109.6° |
| O | C3 | H3 | 108.0° | 109.5° |
| O | C6 | C7 | 125.5° | 120.0° |
| O | C6 | C11 | 113.3° | 120.0° |
| C1 | C2 | C3 | 110.5° | 109.3° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C2 | C1 | H1A | 109.0° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C1 | C2 | H2A | 109.2° | 109.5° |
| C9 | N1 | C13 | 132.4° | 120.0° |
| N1 | C9 | C8 | 122.7° | 120.0° |
| N1 | C9 | C10 | 118.4° | 120.1° |
| C9 | N1 | HN1 | 113.8° | 120.0° |
| N1 | C13 | N2 | 117.7° | 119.2° |
| N1 | C13 | N3 | 116.1° | 119.1° |
| C13 | N1 | HN1 | 113.8° | 120.0° |
| C10 | O1 | C12 | 118.0° | 117.0° |
| O1 | C10 | C9 | 115.1° | 120.0° |
| O1 | C10 | C11 | 124.5° | 120.1° |
| O1 | C12 | H12 | 109.5° | 109.5° |
| O1 | C12 | H12A | 109.5° | 109.4° |
| O1 | C12 | H12B | 109.5° | 109.4° |
| C2 | C3 | C4 | 111.7° | 109.2° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C3 | C2 | H2A | 109.2° | 109.5° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| C13 | N2 | C14 | 115.3° | 121.0° |
| N2 | C13 | N3 | 126.2° | 121.7° |
| N2 | C14 | C15 | 123.4° | 119.3° |
| N2 | C14 | H14 | 118.3° | 120.3° |
| C3 | C4 | C5 | 110.3° | 109.3° |
| C4 | C3 | H3 | 107.6° | 109.6° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C3 | C4 | H4A | 109.3° | 109.5° |
| C13 | N3 | C16 | 116.5° | 120.6° |
| N3 | C16 | C15 | 122.1° | 118.9° |
| N3 | C16 | C17 | 116.5° | 120.5° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C5 | C4 | H4A | 109.3° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C4 | C5 | H5A | 109.0° | 109.5° |
| C18 | N4 | C19 | 109.4° | 110.3° |
| N4 | C18 | C17 | 110.2° | 109.8° |
| C18 | N4 | HN4 | 125.3° | 124.9° |
| N4 | C18 | H18 | 124.9° | 125.1° |
| N4 | C19 | C20 | 107.8° | 107.3° |
| N4 | C19 | C23 | 132.6° | 134.3° |
| C19 | N4 | HN4 | 125.3° | 124.8° |
| C22 | N5 | C23 | 118.2° | 122.5° |
| N5 | C22 | C21 | 124.6° | 121.2° |
| N5 | C22 | H22 | 117.7° | 119.4° |
| N5 | C23 | C19 | 121.6° | 120.3° |
| N5 | C23 | H23 | 119.2° | 119.9° |
| C7 | C6 | C11 | 121.0° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.1° |
| C6 | C7 | H7 | 120.0° | 119.9° |
| C6 | C11 | C10 | 119.3° | 120.0° |
| C6 | C11 | H11 | 120.3° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.1° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | C10 | 118.8° | 119.9° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.3° | 119.9° |
| C10 | C11 | H11 | 120.3° | 120.0° |
| C14 | C15 | C16 | 116.6° | 118.5° |
| C15 | C14 | H14 | 118.3° | 120.4° |
| C14 | C15 | H15 | 121.7° | 120.8° |
| C15 | C16 | C17 | 121.4° | 120.5° |
| C16 | C15 | H15 | 121.7° | 120.8° |
| C16 | C17 | C18 | 127.6° | 126.7° |
| C16 | C17 | C20 | 126.5° | 126.7° |
| C18 | C17 | C20 | 106.0° | 106.6° |
| C17 | C18 | H18 | 124.9° | 125.0° |
| C17 | C20 | C19 | 106.6° | 106.0° |
| C17 | C20 | C21 | 134.8° | 135.2° |
| C20 | C19 | C23 | 119.6° | 118.4° |
| C19 | C20 | C21 | 118.7° | 118.8° |
| C19 | C23 | H23 | 119.2° | 119.8° |
| C20 | C21 | C22 | 117.3° | 118.7° |
| C20 | C21 | H21 | 121.3° | 120.6° |
| C22 | C21 | H21 | 121.4° | 120.6° |
| C21 | C22 | H22 | 117.7° | 119.4° |
| H | C | HA | 109.4° | 109.5° |
| H | C | HB | 109.5° | 109.4° |
| HA | C | HB | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C5 | 122.4° | 124.1° |
| C | N | C1 | C2 | 176.6° | 174.2° |
| C | N | C5 | C4 | 176.1° | 174.1° |
| N | C | H | HA | 120.0° | 120.0° |
| N | C | H | HB | 120.0° | 119.9° |
| N | C | HA | HB | 120.0° | 120.0° |
| C | N | C1 | H1 | 56.4° | 54.1° |
| C | N | C1 | H1A | 63.2° | 65.8° |
| C | N | C5 | H5 | 63.6° | 65.8° |
| C | N | C5 | H5A | 55.9° | 54.1° |
| N | C1 | C2 | H1 | 120.2° | 120.0° |
| N | C1 | C2 | H1A | 120.2° | 120.0° |
| N | C1 | C2 | C3 | 56.0° | 59.2° |
| C1 | N | C5 | C4 | 61.5° | 61.7° |
| C1 | N | C | H | 180.0° | 60.0° |
| C1 | N | C | HA | 60.0° | 180.0° |
| C1 | N | C | HB | 60.0° | 60.0° |
| N | C1 | H1 | H1A | 119.2° | 119.9° |
| N | C1 | C2 | H2 | 64.2° | 60.7° |
| N | C1 | C2 | H2A | 176.1° | 179.1° |
| C1 | N | C5 | H5 | 58.7° | 58.4° |
| C1 | N | C5 | H5A | 178.2° | 178.3° |
| C5 | N | C1 | C2 | 61.0° | 61.7° |
| N | C5 | C4 | C3 | 56.9° | 59.2° |
| N | C5 | C4 | H5 | 120.2° | 120.0° |
| N | C5 | C4 | H5A | 120.2° | 120.0° |
| C5 | N | C | H | 58.1° | 175.8° |
| C5 | N | C | HA | 61.9° | 55.8° |
| C5 | N | C | HB | 178.2° | 64.2° |
| C5 | N | C1 | H1 | 178.7° | 178.2° |
| C5 | N | C1 | H1A | 59.2° | 58.3° |
| N | C5 | C4 | H4 | 63.2° | 60.8° |
| N | C5 | C4 | H4A | 177.0° | 179.1° |
| N | C5 | H5 | H5A | 119.2° | 119.9° |
| O | C3 | C2 | C1 | 72.1° | 62.3° |
| O | C3 | C2 | C4 | 123.6° | 119.9° |
| O | C3 | C2 | H3 | 118.6° | 120.1° |
| O | C3 | C4 | H3 | 117.3° | 120.1° |
| O | C3 | C4 | C5 | 73.1° | 62.3° |
| C3 | O | C6 | C7 | 65.3° | 178.4° |
| C3 | O | C6 | C11 | 119.0° | 1.9° |
| O | C3 | C2 | H2 | 167.7° | 177.8° |
| O | C3 | C2 | H2A | 48.0° | 57.7° |
| O | C3 | C4 | H4 | 166.8° | 177.8° |
| O | C3 | C4 | H4A | 47.1° | 57.7° |
| C6 | O | C3 | C2 | 65.5° | 158.2° |
| C6 | O | C3 | C4 | 169.8° | 82.1° |
| O | C6 | C7 | C11 | 175.4° | 179.7° |
| O | C6 | C7 | C8 | 179.5° | 180.0° |
| O | C6 | C11 | C10 | 179.7° | 179.8° |
| C6 | O | C3 | H3 | 52.8° | 38.0° |
| O | C6 | C7 | H7 | 0.5° | 0.1° |
| O | C6 | C11 | H11 | 0.3° | 0.0° |
| C1 | C2 | C3 | H2 | 120.1° | 119.9° |
| C1 | C2 | C3 | H2A | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 51.4° | 57.6° |
| C2 | C1 | H1 | H1A | 119.2° | 120.0° |
| C1 | C2 | H2 | H2A | 119.6° | 120.1° |
| C1 | C2 | C3 | H3 | 169.3° | 177.6° |
| C9 | N1 | C13 | HN1 | 180.0° | 180.0° |
| N1 | C9 | C10 | O1 | 5.0° | 0.0° |
| C9 | N1 | C13 | N2 | 161.5° | 6.3° |
| C9 | N1 | C13 | N3 | 19.1° | 173.7° |
| N1 | C9 | C8 | C7 | 178.9° | 180.0° |
| N1 | C9 | C8 | C10 | 176.6° | 179.9° |
| N1 | C9 | C10 | C11 | 178.6° | 179.8° |
| N1 | C9 | C8 | H8 | 1.1° | 0.0° |
| N1 | C13 | N2 | N3 | 179.3° | 180.0° |
| N1 | C13 | N2 | C14 | 179.6° | 180.0° |
| N1 | C13 | N3 | C16 | 179.7° | 180.0° |
| C13 | N1 | C9 | C8 | 22.7° | 30.1° |
| C13 | N1 | C9 | C10 | 160.8° | 150.0° |
| O1 | C10 | C11 | C6 | 178.6° | 179.7° |
| O1 | C10 | C9 | C8 | 178.3° | 179.9° |
| O1 | C10 | C9 | C11 | 176.4° | 179.8° |
| O1 | C10 | C11 | H11 | 1.4° | 0.1° |
| C10 | O1 | C12 | H12 | 180.0° | 60.0° |
| C10 | O1 | C12 | H12A | 60.0° | 60.1° |
| C10 | O1 | C12 | H12B | 60.0° | 180.0° |
| C12 | O1 | C10 | C9 | 173.6° | 180.0° |
| C12 | O1 | C10 | C11 | 2.6° | 0.2° |
| O1 | C12 | H12 | H12A | 120.0° | 120.0° |
| O1 | C12 | H12 | H12B | 120.0° | 120.0° |
| O1 | C12 | H12A | H12B | 120.0° | 119.9° |
| C2 | C3 | C4 | H3 | 117.8° | 120.0° |
| C2 | C3 | C4 | C5 | 51.8° | 57.7° |
| C3 | C2 | C1 | H1 | 176.2° | 179.2° |
| C3 | C2 | C1 | H1A | 64.3° | 60.8° |
| C3 | C2 | H2 | H2A | 119.5° | 120.1° |
| C2 | C3 | C4 | H4 | 68.3° | 62.3° |
| C2 | C3 | C4 | H4A | 171.9° | 177.6° |
| N2 | C13 | N3 | C16 | 0.4° | 0.0° |
| C13 | N2 | C14 | C15 | 0.1° | 0.0° |
| N2 | C13 | N1 | HN1 | 18.4° | 173.7° |
| C13 | N2 | C14 | H14 | 179.9° | 179.9° |
| C14 | N2 | C13 | N3 | 0.3° | 0.0° |
| N2 | C14 | C15 | H14 | 180.0° | 179.9° |
| N2 | C14 | C15 | C16 | 0.0° | 0.1° |
| N2 | C14 | C15 | H15 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | H4A | 120.2° | 119.9° |
| C4 | C3 | C2 | H2 | 68.7° | 62.3° |
| C4 | C3 | C2 | H2A | 171.6° | 177.6° |
| C3 | C4 | H4 | H4A | 119.6° | 120.1° |
| C3 | C4 | C5 | H5 | 63.4° | 60.8° |
| C3 | C4 | C5 | H5A | 177.1° | 179.2° |
| C13 | N3 | C16 | C15 | 0.3° | 0.1° |
| C13 | N3 | C16 | C17 | 179.4° | 180.0° |
| N3 | C13 | N1 | HN1 | 161.0° | 6.3° |
| N3 | C16 | C15 | C14 | 0.1° | 0.1° |
| N3 | C16 | C15 | C17 | 179.7° | 180.0° |
| N3 | C16 | C17 | C18 | 178.7° | 180.0° |
| N3 | C16 | C17 | C20 | 0.1° | 0.0° |
| N3 | C16 | C15 | H15 | 179.9° | 179.9° |
| C5 | C4 | C3 | H3 | 169.6° | 177.6° |
| C5 | C4 | H4 | H4A | 119.6° | 120.1° |
| C4 | C5 | H5 | H5A | 119.2° | 120.0° |
| C18 | N4 | C19 | HN4 | 180.0° | 179.7° |
| N4 | C18 | C17 | C16 | 179.4° | 180.0° |
| N4 | C18 | C17 | H18 | 180.0° | 180.0° |
| N4 | C18 | C17 | C20 | 0.6° | 0.0° |
| C18 | N4 | C19 | C20 | 0.0° | 0.0° |
| C18 | N4 | C19 | C23 | 179.9° | 179.9° |
| N4 | C19 | C23 | N5 | 179.9° | 180.0° |
| C19 | N4 | C18 | C17 | 0.4° | 0.0° |
| N4 | C19 | C20 | C17 | 0.3° | 0.0° |
| N4 | C19 | C20 | C23 | 180.0° | 180.0° |
| N4 | C19 | C20 | C21 | 180.0° | 180.0° |
| C19 | N4 | C18 | H18 | 179.6° | 180.0° |
| N4 | C19 | C23 | H23 | 0.1° | 0.1° |
| C22 | N5 | C23 | C19 | 0.3° | 0.0° |
| N5 | C22 | C21 | C20 | 0.1° | 0.1° |
| N5 | C22 | C21 | H22 | 180.0° | 179.9° |
| N5 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | N5 | C23 | H23 | 179.8° | 179.9° |
| N5 | C23 | C19 | C20 | 0.2° | 0.0° |
| N5 | C23 | C19 | H23 | 180.0° | 179.9° |
| C23 | N5 | C22 | C21 | 0.2° | 0.1° |
| C23 | N5 | C22 | H22 | 179.8° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 3.4° | 0.1° |
| C7 | C6 | C11 | C10 | 3.7° | 0.5° |
| C6 | C7 | C8 | H8 | 176.6° | 179.9° |
| C7 | C6 | C11 | H11 | 176.3° | 179.7° |
| C11 | C6 | C7 | C8 | 4.1° | 0.3° |
| C6 | C11 | C10 | C9 | 2.7° | 0.5° |
| C6 | C11 | C10 | H11 | 180.0° | 179.8° |
| C11 | C6 | C7 | H7 | 175.9° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.3° | 0.1° |
| C8 | C9 | C10 | C11 | 1.9° | 0.3° |
| C8 | C9 | N1 | HN1 | 157.3° | 150.0° |
| C9 | C8 | C7 | H7 | 176.6° | 180.0° |
| C10 | C9 | N1 | HN1 | 19.3° | 30.0° |
| C10 | C9 | C8 | H8 | 177.7° | 180.0° |
| C9 | C10 | C11 | H11 | 177.4° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.6° | 179.9° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C15 | C16 | C17 | C20 | 179.6° | 180.0° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C20 | 178.9° | 180.0° |
| C16 | C17 | C20 | C19 | 179.4° | 180.0° |
| C16 | C17 | C20 | C21 | 1.0° | 0.1° |
| C17 | C16 | C15 | H15 | 0.4° | 0.0° |
| C16 | C17 | C18 | H18 | 0.6° | 0.0° |
| C18 | C17 | C20 | C19 | 0.5° | 0.0° |
| C18 | C17 | C20 | C21 | 179.9° | 179.9° |
| C17 | C18 | N4 | HN4 | 179.6° | 179.7° |
| C17 | C20 | C19 | C21 | 179.6° | 180.0° |
| C17 | C20 | C19 | C23 | 179.7° | 180.0° |
| C17 | C20 | C21 | C22 | 179.6° | 180.0° |
| C20 | C17 | C18 | H18 | 179.4° | 180.0° |
| C17 | C20 | C21 | H21 | 0.4° | 0.1° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | N4 | HN4 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C19 | C23 | H23 | 179.8° | 180.0° |
| C23 | C19 | C20 | C21 | 0.1° | 0.0° |
| C23 | C19 | N4 | HN4 | 0.1° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| H | C | HA | HB | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 56.1° | 59.3° |
| H1 | C1 | C2 | H2A | 63.6° | 60.8° |
| H1A | C1 | C2 | H2 | 175.6° | 179.3° |
| H1A | C1 | C2 | H2A | 55.9° | 59.2° |
| H2 | C2 | C3 | H3 | 49.1° | 57.7° |
| H2A | C2 | C3 | H3 | 70.6° | 62.4° |
| H3 | C3 | C4 | H4 | 49.5° | 57.7° |
| H3 | C3 | C4 | H4A | 70.2° | 62.5° |
| H4 | C4 | C5 | H5 | 176.5° | 179.2° |
| H4 | C4 | C5 | H5A | 57.0° | 59.2° |
| H4A | C4 | C5 | H5 | 56.8° | 59.1° |
| H4A | C4 | C5 | H5A | 62.7° | 60.9° |
| HN4 | N4 | C18 | H18 | 0.4° | 0.3° |
| H7 | C7 | C8 | H8 | 3.4° | 0.1° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 0.0° | 0.1° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
