A1KCT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N5 | sing | 1.46Å | 1.46Å | |
| C14 | N5 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C13 | sing | 1.35Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | O1 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | N6 | sing | 1.47Å | 1.47Å | |
| C13 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C | O | sing | 1.43Å | 1.43Å | |
| O1 | C24 | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.35Å | 1.34Å | |
| C11 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N | doub | 1.32Å | 1.30Å | Aromatic |
| C1 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| N6 | C19 | sing | 1.40Å | 1.41Å | |
| N6 | C25 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.48Å | 1.49Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C21 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| N | C2 | sing | 1.33Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.42Å | 1.44Å | Aromatic |
| C2 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C3 | sing | 1.48Å | 1.49Å | |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.45Å | Aromatic |
| C4 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | N2 | sing | 1.38Å | 1.34Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N5 | C14 | 127.8° | 126.3° |
| C15 | N5 | C12 | 126.0° | 126.4° |
| N5 | C15 | H5 | 109.5° | 109.5° |
| N5 | C15 | H6 | 109.5° | 109.5° |
| N5 | C15 | H7 | 109.5° | 109.5° |
| N5 | C14 | N4 | 114.4° | 110.0° |
| C14 | N5 | C12 | 106.2° | 107.3° |
| N5 | C14 | H4 | 122.8° | 125.0° |
| C14 | N4 | C13 | 103.8° | 109.7° |
| N4 | C14 | H4 | 122.8° | 125.0° |
| N5 | C12 | C13 | 105.2° | 105.9° |
| N5 | C12 | C11 | 136.2° | 134.9° |
| N4 | C13 | C12 | 110.4° | 107.1° |
| N4 | C13 | C9 | 130.0° | 134.8° |
| C22 | C23 | O1 | 111.1° | 109.3° |
| C23 | C22 | N6 | 110.9° | 109.2° |
| C23 | C22 | H10 | 109.1° | 109.5° |
| C23 | C22 | H11 | 109.1° | 109.5° |
| C22 | C23 | H24 | 109.0° | 109.5° |
| C22 | C23 | H25 | 109.1° | 109.5° |
| C23 | O1 | C24 | 110.1° | 113.7° |
| O1 | C23 | H24 | 109.1° | 109.5° |
| O1 | C23 | H25 | 109.0° | 109.5° |
| C13 | C12 | C11 | 118.6° | 119.2° |
| C12 | C13 | C9 | 119.5° | 118.1° |
| C12 | C11 | N3 | 123.0° | 120.6° |
| C12 | C11 | H3 | 118.5° | 119.7° |
| C22 | N6 | C19 | 113.9° | 111.0° |
| C22 | N6 | C25 | 110.7° | 110.7° |
| N6 | C22 | H10 | 109.1° | 109.5° |
| N6 | C22 | H11 | 109.1° | 109.5° |
| C13 | C9 | C8 | 112.3° | 120.7° |
| C13 | C9 | C10 | 116.2° | 118.5° |
| C | O | C1 | 117.2° | 117.0° |
| O | C | H16 | 109.5° | 109.5° |
| O | C | H17 | 109.5° | 109.5° |
| O | C | H18 | 109.5° | 109.6° |
| O1 | C24 | C25 | 111.6° | 109.3° |
| O1 | C24 | H12 | 108.9° | 109.5° |
| O1 | C24 | H13 | 109.0° | 109.5° |
| O | C1 | N | 119.3° | 119.4° |
| O | C1 | C8 | 115.1° | 119.3° |
| C11 | N3 | C10 | 118.3° | 122.5° |
| N3 | C11 | H3 | 118.5° | 119.7° |
| C21 | C20 | C19 | 120.6° | 120.0° |
| C20 | C21 | C16 | 121.5° | 119.9° |
| C21 | C20 | H8 | 119.7° | 120.0° |
| C20 | C21 | H9 | 119.3° | 120.0° |
| C20 | C19 | N6 | 120.7° | 119.9° |
| C20 | C19 | C18 | 118.3° | 120.1° |
| C19 | C20 | H8 | 119.7° | 120.0° |
| N | C1 | C8 | 125.6° | 121.3° |
| C1 | N | C2 | 118.7° | 121.4° |
| C1 | C8 | C9 | 134.5° | 120.3° |
| C1 | C8 | C7 | 115.8° | 119.5° |
| C19 | N6 | C25 | 116.7° | 111.0° |
| N6 | C19 | C18 | 121.0° | 120.0° |
| N6 | C25 | C24 | 110.4° | 109.2° |
| N6 | C25 | H22 | 109.2° | 109.5° |
| N6 | C25 | H23 | 109.2° | 109.5° |
| C8 | C9 | C10 | 131.5° | 120.8° |
| C9 | C8 | C7 | 109.7° | 120.3° |
| C9 | C10 | N3 | 124.4° | 121.1° |
| C9 | C10 | H2 | 117.8° | 119.4° |
| C25 | C24 | H12 | 109.0° | 109.5° |
| C25 | C24 | H13 | 108.9° | 109.5° |
| C24 | C25 | H22 | 109.3° | 109.5° |
| C24 | C25 | H23 | 109.2° | 109.5° |
| C21 | C16 | C3 | 120.7° | 120.1° |
| C21 | C16 | C17 | 117.6° | 119.9° |
| C16 | C21 | H9 | 119.2° | 120.0° |
| N3 | C10 | H2 | 117.8° | 119.4° |
| N | C2 | C3 | 119.5° | 121.6° |
| N | C2 | C6 | 121.2° | 120.5° |
| C8 | C7 | C6 | 121.4° | 118.0° |
| C8 | C7 | H1 | 119.3° | 121.0° |
| C19 | C18 | C17 | 120.8° | 120.1° |
| C19 | C18 | H20 | 119.6° | 120.0° |
| C3 | C2 | C6 | 119.3° | 117.9° |
| C2 | C3 | C16 | 126.8° | 120.6° |
| C2 | C3 | C4 | 116.4° | 118.7° |
| C2 | C6 | C7 | 117.4° | 119.3° |
| C2 | C6 | C5 | 117.5° | 119.0° |
| C3 | C16 | C17 | 121.7° | 120.0° |
| C16 | C3 | C4 | 116.7° | 120.7° |
| C16 | C17 | C18 | 121.3° | 119.9° |
| C16 | C17 | H21 | 119.4° | 120.1° |
| C7 | C6 | C5 | 125.1° | 121.8° |
| C6 | C7 | H1 | 119.3° | 121.1° |
| C17 | C18 | H20 | 119.6° | 119.9° |
| C18 | C17 | H21 | 119.3° | 120.0° |
| C3 | C4 | N1 | 126.1° | 121.7° |
| C3 | C4 | H19 | 116.9° | 119.1° |
| C6 | C5 | N1 | 121.7° | 120.1° |
| C6 | C5 | N2 | 121.4° | 120.0° |
| C4 | N1 | C5 | 119.0° | 122.6° |
| N1 | C4 | H19 | 117.0° | 119.2° |
| N1 | C5 | N2 | 116.9° | 119.9° |
| C5 | N2 | H14 | 109.5° | 120.0° |
| C5 | N2 | H15 | 109.4° | 120.0° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.4° | 109.5° |
| H14 | N2 | H15 | 109.5° | 120.0° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.4° |
| H17 | C | H18 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.6° |
| H24 | C23 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N5 | C14 | C12 | 180.0° | 180.0° |
| C15 | N5 | C14 | N4 | 180.0° | 180.0° |
| C15 | N5 | C12 | C13 | 180.0° | 180.0° |
| C15 | N5 | C12 | C11 | 0.0° | 0.0° |
| C15 | N5 | C14 | H4 | 0.0° | 0.0° |
| N5 | C15 | H5 | H6 | 120.0° | 120.0° |
| N5 | C15 | H5 | H7 | 120.0° | 120.0° |
| N5 | C15 | H6 | H7 | 120.0° | 120.0° |
| N5 | C14 | N4 | H4 | 180.0° | 180.0° |
| N5 | C14 | N4 | C13 | 0.0° | 0.0° |
| C14 | N5 | C12 | C13 | 0.0° | 0.0° |
| C14 | N5 | C12 | C11 | 180.0° | 180.0° |
| C14 | N5 | C15 | H5 | 180.0° | 90.0° |
| C14 | N5 | C15 | H6 | 60.0° | 150.0° |
| C14 | N5 | C15 | H7 | 60.0° | 30.0° |
| N4 | C14 | N5 | C12 | 0.0° | 0.0° |
| C14 | N4 | C13 | C12 | 0.0° | 0.0° |
| C14 | N4 | C13 | C9 | 179.4° | 180.0° |
| N5 | C12 | C13 | N4 | 0.0° | 0.0° |
| N5 | C12 | C13 | C11 | 180.0° | 180.0° |
| N5 | C12 | C13 | C9 | 179.5° | 180.0° |
| N5 | C12 | C11 | N3 | 180.0° | 179.8° |
| N5 | C12 | C11 | H3 | 0.0° | 0.0° |
| C12 | N5 | C14 | H4 | 180.0° | 180.0° |
| C12 | N5 | C15 | H5 | 0.0° | 90.0° |
| C12 | N5 | C15 | H6 | 120.0° | 30.0° |
| C12 | N5 | C15 | H7 | 120.0° | 150.0° |
| N4 | C13 | C12 | C9 | 179.5° | 180.0° |
| N4 | C13 | C12 | C11 | 180.0° | 180.0° |
| N4 | C13 | C9 | C8 | 1.3° | 0.0° |
| N4 | C13 | C9 | C10 | 179.7° | 179.8° |
| C13 | N4 | C14 | H4 | 180.0° | 180.0° |
| C22 | C23 | O1 | H24 | 120.3° | 119.9° |
| C22 | C23 | O1 | H25 | 120.3° | 120.0° |
| C23 | C22 | N6 | H10 | 120.2° | 120.0° |
| C23 | C22 | N6 | H11 | 120.2° | 119.9° |
| C22 | C23 | O1 | C24 | 59.3° | 58.7° |
| C23 | C22 | N6 | C19 | 172.7° | 177.6° |
| C23 | C22 | N6 | C25 | 53.3° | 58.6° |
| C23 | C22 | H10 | H11 | 119.4° | 120.1° |
| C22 | C23 | H24 | H25 | 119.3° | 120.2° |
| O1 | C23 | C22 | N6 | 56.6° | 56.9° |
| C23 | O1 | C24 | C25 | 59.7° | 58.7° |
| O1 | C23 | C22 | H10 | 176.8° | 63.1° |
| O1 | C23 | C22 | H11 | 63.6° | 176.8° |
| C23 | O1 | C24 | H12 | 180.0° | 61.3° |
| C23 | O1 | C24 | H13 | 60.7° | 178.6° |
| O1 | C23 | H24 | H25 | 119.2° | 120.1° |
| C13 | C12 | C11 | N3 | 0.0° | 0.2° |
| C12 | C13 | C9 | C8 | 179.3° | 180.0° |
| C12 | C13 | C9 | C10 | 0.9° | 0.2° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | C9 | 0.5° | 0.0° |
| C12 | C11 | N3 | H3 | 180.0° | 179.8° |
| C12 | C11 | N3 | C10 | 0.1° | 0.3° |
| C22 | N6 | C19 | C20 | 49.5° | 123.4° |
| C22 | N6 | C19 | C25 | 131.0° | 123.6° |
| C22 | N6 | C25 | C24 | 53.1° | 58.6° |
| C22 | N6 | C19 | C18 | 130.4° | 56.4° |
| N6 | C22 | H10 | H11 | 119.3° | 120.1° |
| C22 | N6 | C25 | H22 | 173.3° | 178.5° |
| C22 | N6 | C25 | H23 | 67.0° | 61.3° |
| N6 | C22 | C23 | H24 | 176.9° | 176.8° |
| N6 | C22 | C23 | H25 | 63.6° | 63.1° |
| C13 | C9 | C8 | C1 | 43.0° | 64.7° |
| C13 | C9 | C8 | C10 | 178.2° | 179.7° |
| C13 | C9 | C10 | N3 | 1.0° | 0.2° |
| C13 | C9 | C8 | C7 | 135.2° | 115.3° |
| C13 | C9 | C10 | H2 | 179.0° | 179.7° |
| C | O | C1 | N | 26.1° | 0.0° |
| C | O | C1 | C8 | 153.4° | 179.8° |
| O | C | H16 | H17 | 120.0° | 120.0° |
| O | C | H16 | H18 | 120.0° | 120.1° |
| O | C | H17 | H18 | 120.0° | 120.1° |
| O1 | C24 | C25 | N6 | 56.7° | 56.9° |
| O1 | C24 | C25 | H12 | 120.3° | 120.0° |
| O1 | C24 | C25 | H13 | 120.4° | 119.9° |
| O1 | C24 | H12 | H13 | 119.0° | 120.1° |
| O1 | C24 | C25 | H22 | 176.9° | 176.8° |
| O1 | C24 | C25 | H23 | 63.4° | 63.0° |
| C24 | O1 | C23 | H24 | 179.6° | 178.6° |
| C24 | O1 | C23 | H25 | 61.0° | 61.3° |
| O | C1 | N | C8 | 179.5° | 179.8° |
| O | C1 | C8 | C9 | 1.6° | 0.3° |
| O | C1 | N | C2 | 179.9° | 179.8° |
| O | C1 | C8 | C7 | 179.8° | 179.7° |
| C1 | O | C | H16 | 180.0° | 60.0° |
| C1 | O | C | H17 | 60.0° | 180.0° |
| C1 | O | C | H18 | 60.0° | 60.0° |
| C11 | N3 | C10 | C9 | 0.5° | 0.0° |
| C11 | N3 | C10 | H2 | 179.4° | 180.0° |
| C21 | C20 | C19 | H8 | 180.0° | 180.0° |
| C21 | C20 | C19 | N6 | 179.9° | 180.0° |
| C20 | C21 | C16 | H9 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.2° |
| C20 | C21 | C16 | C3 | 179.5° | 180.0° |
| C20 | C21 | C16 | C17 | 0.7° | 0.3° |
| C20 | C19 | N6 | C18 | 179.9° | 179.8° |
| C20 | C19 | N6 | C25 | 179.4° | 0.2° |
| C19 | C20 | C21 | C16 | 0.3° | 0.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.2° |
| C19 | C20 | C21 | H9 | 179.7° | 180.0° |
| C20 | C19 | C18 | H20 | 180.0° | 180.0° |
| N | C1 | C8 | C9 | 178.9° | 180.0° |
| N | C1 | C8 | C7 | 0.7° | 0.0° |
| C1 | N | C2 | C3 | 179.7° | 180.0° |
| C1 | N | C2 | C6 | 0.1° | 0.1° |
| C1 | C8 | C9 | C7 | 178.3° | 180.0° |
| C1 | C8 | C9 | C10 | 138.8° | 115.0° |
| C8 | C1 | N | C2 | 0.4° | 0.0° |
| C1 | C8 | C7 | C6 | 0.6° | 0.0° |
| C1 | C8 | C7 | H1 | 179.4° | 180.0° |
| C19 | N6 | C25 | C24 | 174.4° | 177.6° |
| N6 | C19 | C18 | C17 | 179.9° | 180.0° |
| N6 | C19 | C20 | H8 | 0.1° | 0.0° |
| C19 | N6 | C22 | H10 | 52.5° | 62.4° |
| C19 | N6 | C22 | H11 | 67.0° | 57.7° |
| N6 | C19 | C18 | H20 | 0.1° | 0.1° |
| C19 | N6 | C25 | H22 | 54.2° | 57.7° |
| C19 | N6 | C25 | H23 | 65.5° | 62.4° |
| N6 | C25 | C24 | H22 | 120.1° | 119.9° |
| N6 | C25 | C24 | H23 | 120.1° | 119.9° |
| C25 | N6 | C19 | C18 | 0.6° | 180.0° |
| C25 | N6 | C22 | H10 | 173.5° | 61.3° |
| C25 | N6 | C22 | H11 | 66.9° | 178.6° |
| N6 | C25 | C24 | H12 | 177.1° | 63.1° |
| N6 | C25 | C24 | H13 | 63.6° | 176.8° |
| N6 | C25 | H22 | H23 | 119.6° | 120.1° |
| C8 | C9 | C10 | N3 | 179.1° | 180.0° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C9 | C8 | C7 | H1 | 0.8° | 0.0° |
| C8 | C9 | C10 | H2 | 0.9° | 0.0° |
| C9 | C10 | N3 | H2 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 42.9° | 65.0° |
| C25 | C24 | H12 | H13 | 119.0° | 120.0° |
| C24 | C25 | H22 | H23 | 119.6° | 120.2° |
| C21 | C16 | C3 | C2 | 12.1° | 49.7° |
| C21 | C16 | C3 | C17 | 178.8° | 179.7° |
| C21 | C16 | C17 | C18 | 0.7° | 0.3° |
| C21 | C16 | C3 | C4 | 166.0° | 130.3° |
| C16 | C21 | C20 | H8 | 179.6° | 180.0° |
| C21 | C16 | C17 | H21 | 179.3° | 179.7° |
| C10 | N3 | C11 | H3 | 180.0° | 180.0° |
| N | C2 | C3 | C6 | 179.6° | 179.9° |
| N | C2 | C3 | C16 | 1.5° | 0.1° |
| N | C2 | C6 | C7 | 0.1° | 0.1° |
| N | C2 | C3 | C4 | 179.7° | 179.9° |
| N | C2 | C6 | C5 | 179.9° | 179.9° |
| C8 | C7 | C6 | C2 | 0.4° | 0.0° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 179.7° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.1° |
| C19 | C18 | C17 | H20 | 180.0° | 179.8° |
| C18 | C19 | C20 | H8 | 180.0° | 179.8° |
| C19 | C18 | C17 | H21 | 179.6° | 179.9° |
| C2 | C3 | C16 | C4 | 178.1° | 180.0° |
| C2 | C3 | C16 | C17 | 169.1° | 130.0° |
| C3 | C2 | C6 | C7 | 179.7° | 180.0° |
| C3 | C2 | C6 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | N1 | 0.8° | 0.1° |
| C2 | C3 | C4 | H19 | 179.2° | 180.0° |
| C6 | C2 | C3 | C16 | 178.9° | 180.0° |
| C2 | C6 | C7 | C5 | 180.0° | 180.0° |
| C6 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C6 | C5 | N1 | 0.1° | 0.0° |
| C2 | C6 | C5 | N2 | 180.0° | 180.0° |
| C2 | C6 | C7 | H1 | 179.6° | 180.0° |
| C3 | C16 | C17 | C18 | 179.5° | 180.0° |
| C16 | C3 | C4 | N1 | 179.2° | 179.9° |
| C3 | C16 | C21 | H9 | 0.5° | 0.1° |
| C16 | C3 | C4 | H19 | 0.8° | 0.0° |
| C3 | C16 | C17 | H21 | 0.5° | 0.0° |
| C16 | C17 | C18 | H21 | 180.0° | 180.0° |
| C17 | C16 | C3 | C4 | 12.8° | 50.0° |
| C17 | C16 | C21 | H9 | 179.4° | 179.8° |
| C16 | C17 | C18 | H20 | 179.7° | 179.8° |
| C7 | C6 | C5 | N1 | 179.9° | 180.0° |
| C7 | C6 | C5 | N2 | 0.0° | 0.1° |
| C3 | C4 | N1 | H19 | 180.0° | 179.9° |
| C3 | C4 | N1 | C5 | 0.4° | 0.1° |
| C6 | C5 | N1 | C4 | 0.0° | 0.0° |
| C6 | C5 | N1 | N2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H1 | 0.3° | 0.0° |
| C6 | C5 | N2 | H14 | 180.0° | 179.9° |
| C6 | C5 | N2 | H15 | 60.0° | 0.0° |
| C4 | N1 | C5 | N2 | 180.0° | 179.9° |
| N1 | C5 | N2 | H14 | 0.0° | 0.1° |
| N1 | C5 | N2 | H15 | 120.0° | 180.0° |
| C5 | N1 | C4 | H19 | 179.6° | 180.0° |
| C5 | N2 | H14 | H15 | 120.0° | 179.9° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C20 | C21 | H9 | 0.3° | 0.0° |
| H10 | C22 | C23 | H24 | 62.9° | 56.9° |
| H10 | C22 | C23 | H25 | 56.6° | 177.0° |
| H11 | C22 | C23 | H24 | 56.6° | 63.3° |
| H11 | C22 | C23 | H25 | 176.1° | 56.9° |
| H12 | C24 | C25 | H22 | 62.8° | 56.8° |
| H12 | C24 | C25 | H23 | 57.0° | 177.0° |
| H13 | C24 | C25 | H22 | 56.5° | 63.3° |
| H13 | C24 | C25 | H23 | 176.3° | 57.0° |
| H16 | C | H17 | H18 | 120.0° | 119.9° |
| H20 | C18 | C17 | H21 | 0.4° | 0.2° |
