LIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.35Å | 1.35Å | Aromatic |
| N3 | C1 | sing | 1.42Å | 1.36Å | |
| N3 | HN31 | sing | 1.00Å | 1.00Å | |
| N3 | HN32 | sing | 1.00Å | 1.00Å | |
| C4 | C12 | sing | 1.45Å | 1.48Å | Aromatic |
| C4 | C1 | doub | 1.38Å | 1.48Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.47Å | Aromatic |
| C6 | C3 | sing | 1.49Å | 1.50Å | |
| C6 | C20 | sing | 1.52Å | 1.51Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C10 | C9 | sing | 1.42Å | 1.48Å | Aromatic |
| C10 | N5 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | doub | 1.41Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C13 | C9 | sing | 1.51Å | 1.50Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C15 | C21 | sing | 1.52Å | 1.49Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C17 | C16 | sing | 1.52Å | 1.53Å | |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.10Å | 1.10Å | |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C26 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C3 | N2 | doub | 1.35Å | 1.35Å | Aromatic |
| N2 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | N4 | sing | 1.41Å | 1.35Å | |
| N4 | HN41 | sing | 1.00Å | 1.00Å | |
| N4 | HN42 | sing | 1.00Å | 1.00Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| N5 | C16 | sing | 1.46Å | 1.47Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | O1 | sing | 1.42Å | 1.42Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O1 | C19 | sing | 1.42Å | 1.43Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 121.6° | 115.0° |
| N1 | C1 | N3 | 120.2° | 117.4° |
| N1 | C1 | C4 | 118.5° | 123.8° |
| N1 | C2 | N2 | 122.6° | 126.9° |
| N1 | C2 | N4 | 118.3° | 116.5° |
| C1 | N3 | HN31 | 109.5° | 118.9° |
| C1 | N3 | HN32 | 109.5° | 118.8° |
| N3 | C1 | C4 | 121.3° | 118.8° |
| HN31 | N3 | HN32 | 109.4° | 122.0° |
| C12 | C4 | C1 | 120.2° | 122.6° |
| C12 | C4 | C3 | 122.5° | 121.8° |
| C4 | C12 | C7 | 124.7° | 119.9° |
| C4 | C12 | C11 | 113.3° | 120.0° |
| C1 | C4 | C3 | 117.3° | 115.6° |
| C4 | C3 | C6 | 121.2° | 121.0° |
| C4 | C3 | N2 | 117.8° | 123.8° |
| C3 | C6 | C20 | 108.2° | 112.2° |
| C3 | C6 | H61 | 109.9° | 110.3° |
| C3 | C6 | H62 | 110.1° | 110.2° |
| C6 | C3 | N2 | 121.0° | 115.2° |
| C20 | C6 | H61 | 109.9° | 109.2° |
| C20 | C6 | H62 | 110.1° | 109.2° |
| C6 | C20 | H201 | 109.5° | 111.1° |
| C6 | C20 | H202 | 109.4° | 110.6° |
| C6 | C20 | H203 | 109.5° | 111.1° |
| H61 | C6 | H62 | 108.5° | 105.4° |
| C8 | C7 | C12 | 119.6° | 119.4° |
| C8 | C7 | H7 | 120.2° | 120.4° |
| C7 | C8 | C9 | 120.6° | 120.7° |
| C7 | C8 | H8 | 119.7° | 119.2° |
| C12 | C7 | H7 | 120.2° | 120.1° |
| C7 | C12 | C11 | 122.0° | 120.1° |
| C9 | C8 | H8 | 119.7° | 120.2° |
| C8 | C9 | C10 | 119.4° | 120.9° |
| C8 | C9 | C13 | 120.8° | 118.2° |
| C9 | C10 | N5 | 121.0° | 121.1° |
| C9 | C10 | C11 | 117.6° | 116.8° |
| C10 | C9 | C13 | 119.8° | 120.9° |
| N5 | C10 | C11 | 121.3° | 122.2° |
| C10 | N5 | C15 | 122.3° | 121.2° |
| C10 | N5 | C16 | 124.1° | 120.9° |
| C10 | C11 | C12 | 120.8° | 122.0° |
| C10 | C11 | H11 | 119.6° | 120.8° |
| C14 | C13 | C9 | 109.5° | 110.7° |
| C14 | C13 | H131 | 109.5° | 108.8° |
| C14 | C13 | H132 | 109.5° | 110.5° |
| C13 | C14 | C15 | 116.0° | 111.7° |
| C13 | C14 | H141 | 107.3° | 108.8° |
| C13 | C14 | H142 | 105.9° | 109.8° |
| C9 | C13 | H131 | 109.5° | 110.4° |
| C9 | C13 | H132 | 109.5° | 108.8° |
| H131 | C13 | H132 | 109.5° | 107.7° |
| C21 | C15 | C14 | 112.3° | 112.7° |
| C21 | C15 | N5 | 110.5° | 113.4° |
| C21 | C15 | H15 | 106.4° | 104.6° |
| C15 | C21 | C26 | 122.6° | 119.8° |
| C15 | C21 | C22 | 118.5° | 119.8° |
| C14 | C15 | N5 | 108.2° | 111.2° |
| C14 | C15 | H15 | 108.7° | 106.8° |
| C15 | C14 | H141 | 107.4° | 108.7° |
| C15 | C14 | H142 | 105.9° | 110.9° |
| N5 | C15 | H15 | 110.7° | 107.7° |
| C15 | N5 | C16 | 113.5° | 117.8° |
| C16 | C17 | C18 | 109.8° | 112.8° |
| C16 | C17 | H171 | 109.4° | 109.3° |
| C16 | C17 | H172 | 109.3° | 110.5° |
| C17 | C16 | N5 | 111.2° | 112.5° |
| C17 | C16 | H161 | 108.9° | 110.1° |
| C17 | C16 | H162 | 108.5° | 111.1° |
| C18 | C17 | H171 | 109.3° | 108.9° |
| C18 | C17 | H172 | 109.3° | 109.3° |
| C17 | C18 | O1 | 110.9° | 108.7° |
| C17 | C18 | H181 | 109.0° | 111.3° |
| C17 | C18 | H182 | 108.7° | 110.8° |
| H171 | C17 | H172 | 109.8° | 105.9° |
| H201 | C20 | H202 | 109.5° | 108.0° |
| H201 | C20 | H203 | 109.4° | 107.9° |
| H202 | C20 | H203 | 109.5° | 108.0° |
| C26 | C21 | C22 | 118.9° | 120.5° |
| C21 | C26 | C25 | 120.8° | 119.7° |
| C21 | C26 | H26 | 119.6° | 120.7° |
| C21 | C22 | C23 | 120.6° | 119.8° |
| C21 | C22 | H22 | 119.7° | 120.7° |
| C23 | C22 | H22 | 119.7° | 119.5° |
| C22 | C23 | C24 | 120.5° | 120.0° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C25 | C24 | C23 | 119.4° | 120.0° |
| C25 | C24 | H24 | 120.3° | 120.0° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C24 | C25 | H25 | 120.0° | 120.1° |
| C23 | C24 | H24 | 120.3° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C25 | C26 | H26 | 119.6° | 119.5° |
| C26 | C25 | H25 | 120.0° | 119.9° |
| C3 | N2 | C2 | 122.2° | 114.9° |
| N2 | C2 | N4 | 119.1° | 116.5° |
| C2 | N4 | HN41 | 109.5° | 119.1° |
| C2 | N4 | HN42 | 109.5° | 119.1° |
| HN41 | N4 | HN42 | 109.5° | 121.5° |
| C12 | C11 | H11 | 119.6° | 117.2° |
| H141 | C14 | H142 | 114.7° | 106.8° |
| N5 | C16 | H161 | 108.9° | 106.9° |
| N5 | C16 | H162 | 108.5° | 107.8° |
| H161 | C16 | H162 | 110.9° | 108.3° |
| O1 | C18 | H181 | 109.0° | 108.4° |
| O1 | C18 | H182 | 108.7° | 108.5° |
| C18 | O1 | C19 | 112.0° | 111.5° |
| H181 | C18 | H182 | 110.6° | 109.1° |
| O1 | C19 | H191 | 109.5° | 109.5° |
| O1 | C19 | H192 | 109.4° | 109.5° |
| O1 | C19 | H193 | 109.4° | 109.0° |
| H191 | C19 | H192 | 109.4° | 110.1° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N3 | C4 | 179.7° | 180.0° |
| N1 | C1 | N3 | HN31 | 98.2° | 69.4° |
| N1 | C1 | N3 | HN32 | 141.8° | 104.3° |
| N1 | C1 | C4 | C12 | 178.0° | 180.0° |
| N1 | C1 | C4 | C3 | 1.0° | 0.0° |
| C1 | N1 | C2 | N2 | 1.5° | 0.0° |
| C1 | N1 | C2 | N4 | 179.6° | 180.0° |
| C2 | N1 | C1 | N3 | 179.4° | 179.9° |
| C2 | N1 | C1 | C4 | 1.0° | 0.0° |
| N1 | C2 | N2 | C3 | 2.2° | 0.0° |
| N1 | C2 | N2 | N4 | 178.9° | 180.0° |
| N1 | C2 | N4 | HN41 | 9.4° | 69.5° |
| N1 | C2 | N4 | HN42 | 129.4° | 116.8° |
| C1 | N3 | HN31 | HN32 | 120.0° | 173.5° |
| N3 | C1 | C4 | C12 | 2.3° | 0.1° |
| N3 | C1 | C4 | C3 | 179.3° | 180.0° |
| HN31 | N3 | C1 | C4 | 82.1° | 110.5° |
| HN32 | N3 | C1 | C4 | 37.9° | 75.8° |
| C12 | C4 | C1 | C3 | 177.0° | 180.0° |
| C12 | C4 | C3 | C6 | 1.9° | 0.0° |
| C4 | C12 | C7 | C8 | 179.9° | 179.9° |
| C4 | C12 | C7 | C11 | 179.2° | 179.8° |
| C4 | C12 | C7 | H7 | 0.1° | 0.2° |
| C4 | C12 | C11 | C10 | 179.9° | 179.9° |
| C12 | C4 | C3 | N2 | 178.5° | 180.0° |
| C4 | C12 | C11 | H11 | 0.1° | 0.3° |
| C1 | C4 | C3 | C6 | 178.8° | 179.9° |
| C1 | C4 | C12 | C7 | 100.4° | 90.0° |
| C1 | C4 | C3 | N2 | 1.6° | 0.0° |
| C1 | C4 | C12 | C11 | 78.8° | 90.2° |
| C4 | C3 | C6 | N2 | 179.6° | 180.0° |
| C4 | C3 | C6 | C20 | 106.9° | 90.1° |
| C4 | C3 | C6 | H61 | 133.0° | 32.0° |
| C4 | C3 | C6 | H62 | 13.5° | 148.0° |
| C3 | C4 | C12 | C7 | 82.7° | 90.0° |
| C4 | C3 | N2 | C2 | 2.2° | 0.0° |
| C3 | C4 | C12 | C11 | 98.0° | 89.7° |
| C3 | C6 | C20 | H61 | 120.0° | 122.6° |
| C3 | C6 | C20 | H62 | 120.5° | 122.6° |
| C3 | C6 | H61 | H62 | 120.5° | 119.0° |
| C3 | C6 | C20 | H201 | 106.3° | 60.0° |
| C3 | C6 | C20 | H202 | 133.7° | 180.0° |
| C3 | C6 | C20 | H203 | 13.7° | 60.0° |
| C6 | C3 | N2 | C2 | 178.2° | 179.9° |
| C20 | C6 | H61 | H62 | 120.5° | 117.2° |
| C6 | C20 | H201 | H202 | 120.0° | 121.5° |
| C6 | C20 | H201 | H203 | 120.0° | 121.9° |
| C6 | C20 | H202 | H203 | 120.0° | 121.8° |
| C20 | C6 | C3 | N2 | 73.5° | 89.9° |
| H61 | C6 | C20 | H201 | 13.7° | 177.3° |
| H61 | C6 | C20 | H202 | 106.3° | 57.4° |
| H61 | C6 | C20 | H203 | 133.7° | 62.6° |
| H61 | C6 | C3 | N2 | 46.5° | 148.1° |
| H62 | C6 | C20 | H201 | 133.3° | 62.5° |
| H62 | C6 | C20 | H202 | 13.2° | 57.4° |
| H62 | C6 | C20 | H203 | 106.8° | 177.4° |
| H62 | C6 | C3 | N2 | 166.0° | 32.1° |
| C8 | C7 | C12 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.8° | 1.3° |
| C7 | C8 | C9 | C13 | 178.9° | 179.3° |
| C8 | C7 | C12 | C11 | 0.7° | 0.3° |
| C12 | C7 | C8 | C9 | 0.8° | 0.4° |
| C12 | C7 | C8 | H8 | 179.2° | 179.8° |
| C7 | C12 | C11 | C10 | 0.6° | 0.1° |
| C7 | C12 | C11 | H11 | 179.4° | 179.5° |
| H7 | C7 | C8 | C9 | 179.2° | 179.7° |
| H7 | C7 | C8 | H8 | 0.8° | 0.1° |
| H7 | C7 | C12 | C11 | 179.3° | 179.6° |
| C8 | C9 | C10 | C13 | 179.7° | 178.0° |
| C8 | C9 | C10 | N5 | 178.6° | 178.5° |
| C8 | C9 | C10 | C11 | 0.7° | 1.4° |
| C8 | C9 | C13 | C14 | 159.5° | 157.1° |
| C8 | C9 | C13 | H131 | 80.5° | 36.6° |
| C8 | C9 | C13 | H132 | 39.5° | 81.3° |
| H8 | C8 | C9 | C10 | 179.2° | 178.9° |
| H8 | C8 | C9 | C13 | 1.1° | 0.9° |
| C9 | C10 | N5 | C11 | 177.8° | 179.9° |
| C10 | C9 | C13 | C14 | 20.8° | 24.8° |
| C10 | C9 | C13 | H131 | 99.2° | 145.3° |
| C10 | C9 | C13 | H132 | 140.8° | 96.7° |
| C9 | C10 | N5 | C15 | 4.7° | 2.9° |
| C9 | C10 | C11 | C12 | 0.6° | 0.7° |
| C9 | C10 | C11 | H11 | 179.4° | 179.6° |
| C9 | C10 | N5 | C16 | 179.6° | 179.3° |
| N5 | C10 | C9 | C13 | 1.1° | 0.5° |
| C10 | N5 | C15 | C21 | 92.4° | 98.9° |
| C10 | N5 | C15 | C14 | 31.0° | 29.3° |
| C10 | N5 | C15 | C16 | 176.1° | 176.5° |
| C10 | N5 | C15 | H15 | 150.0° | 145.9° |
| C10 | N5 | C16 | C17 | 73.1° | 81.0° |
| N5 | C10 | C11 | C12 | 178.5° | 179.1° |
| N5 | C10 | C11 | H11 | 1.5° | 0.5° |
| C10 | N5 | C16 | H161 | 166.9° | 39.9° |
| C10 | N5 | C16 | H162 | 46.2° | 156.2° |
| C11 | C10 | C9 | C13 | 179.0° | 179.4° |
| C11 | C10 | N5 | C15 | 173.1° | 177.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.6° |
| C11 | C10 | N5 | C16 | 2.6° | 0.6° |
| C14 | C13 | C9 | H131 | 120.0° | 120.5° |
| C14 | C13 | C9 | H132 | 120.0° | 121.6° |
| C14 | C13 | H131 | H132 | 120.0° | 119.8° |
| C13 | C14 | C15 | C21 | 67.1° | 75.4° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 117.0° | 122.9° |
| C13 | C14 | C15 | N5 | 55.2° | 53.2° |
| C13 | C14 | C15 | H15 | 175.4° | 170.4° |
| C13 | C14 | H141 | H142 | 117.3° | 118.5° |
| C9 | C13 | H131 | H132 | 120.0° | 118.6° |
| C9 | C13 | C14 | C15 | 50.2° | 50.6° |
| C9 | C13 | C14 | H141 | 69.8° | 69.4° |
| C9 | C13 | C14 | H142 | 167.2° | 174.1° |
| H131 | C13 | C14 | C15 | 69.8° | 172.0° |
| H131 | C13 | C14 | H141 | 170.2° | 52.1° |
| H131 | C13 | C14 | H142 | 47.2° | 64.5° |
| H132 | C13 | C14 | C15 | 170.2° | 70.0° |
| H132 | C13 | C14 | H141 | 50.2° | 170.1° |
| H132 | C13 | C14 | H142 | 72.8° | 53.6° |
| C21 | C15 | C14 | N5 | 122.2° | 128.6° |
| C21 | C15 | C14 | H15 | 117.5° | 114.2° |
| C21 | C15 | N5 | H15 | 117.6° | 115.2° |
| C15 | C21 | C26 | C22 | 178.6° | 180.0° |
| C15 | C21 | C22 | C23 | 179.6° | 180.0° |
| C15 | C21 | C22 | H22 | 0.3° | 0.0° |
| C15 | C21 | C26 | C25 | 179.6° | 180.0° |
| C15 | C21 | C26 | H26 | 0.5° | 0.0° |
| C21 | C15 | C14 | H141 | 173.0° | 164.6° |
| C21 | C15 | C14 | H142 | 50.0° | 47.6° |
| C21 | C15 | N5 | C16 | 83.7° | 77.6° |
| C14 | C15 | N5 | H15 | 119.0° | 116.6° |
| C14 | C15 | C21 | C26 | 79.8° | 90.0° |
| C14 | C15 | C21 | C22 | 101.5° | 90.0° |
| C15 | C14 | H141 | H142 | 117.3° | 119.7° |
| C14 | C15 | N5 | C16 | 152.9° | 154.2° |
| C15 | N5 | C16 | C17 | 110.9° | 102.5° |
| N5 | C15 | C21 | C26 | 41.1° | 37.4° |
| N5 | C15 | C21 | C22 | 137.5° | 142.6° |
| N5 | C15 | C14 | H141 | 64.8° | 66.8° |
| N5 | C15 | C14 | H142 | 172.2° | 176.1° |
| C15 | N5 | C16 | H161 | 9.1° | 136.5° |
| C15 | N5 | C16 | H162 | 129.9° | 20.3° |
| H15 | C15 | C21 | C26 | 161.3° | 154.4° |
| H15 | C15 | C21 | C22 | 17.3° | 25.6° |
| H15 | C15 | C14 | H141 | 55.4° | 50.4° |
| H15 | C15 | C14 | H142 | 67.5° | 66.7° |
| H15 | C15 | N5 | C16 | 33.9° | 37.6° |
| C16 | C17 | C18 | H171 | 120.0° | 121.5° |
| C16 | C17 | C18 | H172 | 119.8° | 123.3° |
| C16 | C17 | H171 | H172 | 119.9° | 119.0° |
| C17 | C16 | N5 | H161 | 120.0° | 120.9° |
| C17 | C16 | N5 | H162 | 119.2° | 122.8° |
| C17 | C16 | H161 | H162 | 119.3° | 121.6° |
| C16 | C17 | C18 | O1 | 167.3° | 179.3° |
| C16 | C17 | C18 | H181 | 47.3° | 60.0° |
| C16 | C17 | C18 | H182 | 73.3° | 61.5° |
| C18 | C17 | H171 | H172 | 119.9° | 117.4° |
| C18 | C17 | C16 | N5 | 156.3° | 60.8° |
| C18 | C17 | C16 | H161 | 83.7° | 180.0° |
| C18 | C17 | C16 | H162 | 37.0° | 60.1° |
| C17 | C18 | O1 | H181 | 120.0° | 121.1° |
| C17 | C18 | O1 | H182 | 119.4° | 120.6° |
| C17 | C18 | H181 | H182 | 119.4° | 122.6° |
| C17 | C18 | O1 | C19 | 176.1° | 178.9° |
| H171 | C17 | C16 | N5 | 36.3° | 177.9° |
| H171 | C17 | C16 | H161 | 156.3° | 58.8° |
| H171 | C17 | C16 | H162 | 82.9° | 61.1° |
| H171 | C17 | C18 | O1 | 72.7° | 59.3° |
| H171 | C17 | C18 | H181 | 167.3° | 178.5° |
| H171 | C17 | C18 | H182 | 46.7° | 59.9° |
| H172 | C17 | C16 | N5 | 83.8° | 61.8° |
| H172 | C17 | C16 | H161 | 36.1° | 57.3° |
| H172 | C17 | C16 | H162 | 156.9° | 177.2° |
| H172 | C17 | C18 | O1 | 47.4° | 56.0° |
| H172 | C17 | C18 | H181 | 72.6° | 63.3° |
| H172 | C17 | C18 | H182 | 166.8° | 175.2° |
| H201 | C20 | H202 | H203 | 120.0° | 116.4° |
| C26 | C21 | C22 | C23 | 1.0° | 0.0° |
| C26 | C21 | C22 | H22 | 179.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.2° | 0.0° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C21 | C26 | C25 | H25 | 179.8° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C26 | C25 | 0.9° | 0.0° |
| C22 | C21 | C26 | H26 | 179.1° | 180.0° |
| C21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 0.4° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | H24 | 179.6° | 180.0° |
| H22 | C22 | C23 | C24 | 179.7° | 180.0° |
| H22 | C22 | C23 | H23 | 0.3° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| C25 | C24 | C23 | H23 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.1° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| H24 | C24 | C25 | C26 | 179.5° | 180.0° |
| H24 | C24 | C23 | H23 | 0.5° | 0.0° |
| H24 | C24 | C25 | H25 | 0.5° | 0.0° |
| H26 | C26 | C25 | H25 | 0.2° | 0.0° |
| C3 | N2 | C2 | N4 | 178.9° | 180.0° |
| N2 | C2 | N4 | HN41 | 169.5° | 110.5° |
| N2 | C2 | N4 | HN42 | 49.5° | 63.2° |
| C2 | N4 | HN41 | HN42 | 120.0° | 173.6° |
| N5 | C16 | H161 | H162 | 119.3° | 116.0° |
| O1 | C18 | H181 | H182 | 119.5° | 117.9° |
| C18 | O1 | C19 | H191 | 7.1° | 92.4° |
| C18 | O1 | C19 | H192 | 112.9° | 146.8° |
| C18 | O1 | C19 | H193 | 127.1° | 27.2° |
| H181 | C18 | O1 | C19 | 56.1° | 60.0° |
| H182 | C18 | O1 | C19 | 64.4° | 58.3° |
| O1 | C19 | H191 | H192 | 120.0° | 120.4° |
| O1 | C19 | H191 | H193 | 120.0° | 119.4° |
| O1 | C19 | H192 | H193 | 120.0° | 119.3° |
| H191 | C19 | H192 | H193 | 120.0° | 120.3° |
