A1AK5
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 | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.34Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.46Å | 1.44Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N1 | sing | 1.38Å | 1.36Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.37Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | S | sing | 1.77Å | 1.74Å | |
| O | S | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| C16 | S | sing | 1.82Å | 1.76Å | |
| C17 | C16 | sing | 1.54Å | 1.52Å | |
| C18 | C17 | sing | 1.52Å | 1.52Å | |
| C13 | C18 | sing | 1.50Å | 1.51Å | |
| C19 | C9 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| N2 | C8 | sing | 1.33Å | 1.35Å | Aromatic |
| C22 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C22 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | N4 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C4 | doub | 1.36Å | 1.35Å | Aromatic |
| O2 | C24 | sing | 1.34Å | 1.38Å | Aromatic |
| C2 | O2 | sing | 1.34Å | 1.35Å | Aromatic |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 112.3° | 111.0° |
| C | N | H5 | 108.8° | 111.0° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H4 | 109.5° | 109.5° |
| N | C | H3 | 109.5° | 109.5° |
| N | C1 | C2 | 111.8° | 109.5° |
| N | C1 | H6 | 108.9° | 109.5° |
| N | C1 | H7 | 108.9° | 109.4° |
| C1 | N | H5 | 108.8° | 110.9° |
| C1 | C2 | C3 | 133.1° | 125.5° |
| C1 | C2 | O2 | 116.6° | 125.5° |
| C2 | C1 | H6 | 108.9° | 109.5° |
| C2 | C1 | H7 | 108.9° | 109.5° |
| C2 | C3 | C4 | 107.7° | 106.0° |
| C3 | C2 | O2 | 110.2° | 109.0° |
| C2 | C3 | H8 | 126.1° | 127.0° |
| C3 | C4 | C5 | 126.6° | 127.1° |
| C3 | C4 | C24 | 105.0° | 105.7° |
| C4 | C3 | H8 | 126.1° | 127.0° |
| C4 | C5 | C6 | 129.5° | 125.3° |
| C4 | C5 | N4 | 121.2° | 125.3° |
| C5 | C4 | C24 | 128.4° | 127.1° |
| C5 | C6 | C7 | 106.8° | 106.8° |
| C6 | C5 | N4 | 109.1° | 109.5° |
| C5 | C6 | H9 | 126.6° | 126.7° |
| C6 | C7 | C8 | 137.4° | 134.9° |
| C6 | C7 | C23 | 107.1° | 106.4° |
| C7 | C6 | H9 | 126.6° | 126.6° |
| C7 | C8 | N1 | 121.0° | 120.9° |
| C7 | C8 | N2 | 120.0° | 118.3° |
| C8 | C7 | C23 | 115.4° | 118.7° |
| C8 | N1 | C9 | 124.8° | 120.0° |
| N1 | C8 | N2 | 118.7° | 120.8° |
| C8 | N1 | H10 | 105.5° | 120.0° |
| N1 | C9 | C10 | 111.9° | 109.5° |
| N1 | C9 | C19 | 109.0° | 109.4° |
| C9 | N1 | H10 | 105.5° | 120.0° |
| N1 | C9 | H | 108.2° | 109.5° |
| C9 | C10 | C11 | 120.6° | 120.3° |
| C9 | C10 | C15 | 121.4° | 120.3° |
| C10 | C9 | C19 | 112.9° | 109.5° |
| C10 | C9 | H | 107.4° | 109.5° |
| C10 | C11 | C12 | 121.1° | 119.9° |
| C11 | C10 | C15 | 117.9° | 119.4° |
| C10 | C11 | H11 | 119.5° | 120.1° |
| C11 | C12 | C13 | 122.0° | 121.0° |
| C11 | C12 | H12 | 119.0° | 119.5° |
| C12 | C11 | H11 | 119.5° | 120.1° |
| C12 | C13 | C14 | 116.5° | 118.8° |
| C12 | C13 | C18 | 119.4° | 116.5° |
| C13 | C12 | H12 | 119.0° | 119.5° |
| C13 | C14 | C15 | 122.1° | 120.3° |
| C13 | C14 | S | 121.1° | 121.8° |
| C14 | C13 | C18 | 124.1° | 124.7° |
| C14 | C15 | C10 | 120.2° | 120.7° |
| C15 | C14 | S | 116.8° | 117.9° |
| C14 | C15 | H13 | 119.9° | 119.7° |
| C10 | C15 | H13 | 119.9° | 119.7° |
| C14 | S | O | 108.0° | 104.4° |
| C14 | S | O1 | 107.1° | 104.4° |
| C14 | S | C16 | 105.1° | 103.7° |
| O | S | O1 | 117.9° | 121.1° |
| O | S | C16 | 107.8° | 110.8° |
| O1 | S | C16 | 110.2° | 110.7° |
| S | C16 | C17 | 110.6° | 107.1° |
| S | C16 | H15 | 109.2° | 109.9° |
| S | C16 | H14 | 109.2° | 110.0° |
| C16 | C17 | C18 | 110.2° | 109.1° |
| C16 | C17 | H16 | 109.3° | 109.5° |
| C16 | C17 | H17 | 109.3° | 109.6° |
| C17 | C16 | H15 | 109.2° | 109.9° |
| C17 | C16 | H14 | 109.2° | 109.9° |
| C17 | C18 | C13 | 114.0° | 113.8° |
| C18 | C17 | H16 | 109.3° | 109.5° |
| C18 | C17 | H17 | 109.3° | 109.6° |
| C17 | C18 | H18 | 108.3° | 108.6° |
| C17 | C18 | H19 | 108.3° | 108.6° |
| C13 | C18 | H18 | 108.3° | 108.6° |
| C13 | C18 | H19 | 108.3° | 108.6° |
| C9 | C19 | C20 | 111.6° | 109.4° |
| C9 | C19 | C21 | 111.8° | 109.5° |
| C19 | C9 | H | 107.2° | 109.4° |
| C9 | C19 | H20 | 107.4° | 109.5° |
| C20 | C19 | C21 | 111.0° | 109.5° |
| C19 | C20 | H22 | 109.5° | 109.4° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C19 | C20 | H23 | 109.5° | 109.5° |
| C20 | C19 | H20 | 107.3° | 109.5° |
| C19 | C21 | H25 | 109.5° | 109.6° |
| C19 | C21 | H26 | 109.4° | 109.5° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| C21 | C19 | H20 | 107.6° | 109.5° |
| C8 | N2 | C22 | 117.3° | 121.1° |
| N2 | C22 | N3 | 128.8° | 122.7° |
| N2 | C22 | H27 | 115.6° | 118.6° |
| C22 | N3 | C23 | 112.4° | 120.7° |
| N3 | C22 | H27 | 115.6° | 118.6° |
| N3 | C23 | C7 | 125.7° | 118.5° |
| N3 | C23 | N4 | 126.0° | 134.1° |
| C7 | C23 | N4 | 108.2° | 107.4° |
| C23 | N4 | C5 | 108.8° | 109.9° |
| C23 | N4 | H1 | 125.6° | 125.1° |
| C5 | N4 | H1 | 125.6° | 125.0° |
| C4 | C24 | O2 | 110.9° | 108.5° |
| C4 | C24 | H28 | 124.5° | 125.8° |
| C24 | O2 | C2 | 106.2° | 110.8° |
| O2 | C24 | H28 | 124.5° | 125.8° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H22 | C20 | H21 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H21 | C20 | H23 | 109.4° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H25 | C21 | H24 | 109.5° | 109.4° |
| H26 | C21 | H24 | 109.5° | 109.4° |
| H15 | C16 | H14 | 109.4° | 110.0° |
| H18 | C18 | H19 | 109.5° | 108.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.4° |
| H4 | C | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H5 | 120.4° | 124.0° |
| C | N | C1 | C2 | 72.1° | 180.0° |
| C | N | C1 | H6 | 48.3° | 59.9° |
| C | N | C1 | H7 | 167.6° | 60.0° |
| N | C | H2 | H4 | 120.0° | 120.0° |
| N | C | H2 | H3 | 120.0° | 120.0° |
| N | C | H4 | H3 | 120.0° | 120.0° |
| N | C1 | C2 | H6 | 120.4° | 120.0° |
| N | C1 | C2 | H7 | 120.3° | 120.0° |
| N | C1 | C2 | C3 | 119.3° | 89.9° |
| N | C1 | C2 | O2 | 56.9° | 90.2° |
| N | C1 | H6 | H7 | 118.9° | 119.9° |
| C1 | N | C | H2 | 180.0° | 60.0° |
| C1 | N | C | H4 | 60.0° | 60.0° |
| C1 | N | C | H3 | 60.0° | 180.0° |
| C1 | C2 | C3 | O2 | 176.4° | 179.9° |
| C1 | C2 | C3 | C4 | 174.8° | 180.0° |
| C1 | C2 | O2 | C24 | 176.1° | 179.8° |
| C1 | C2 | C3 | H8 | 5.2° | 0.0° |
| C2 | C1 | H6 | H7 | 118.9° | 120.0° |
| C2 | C1 | N | H5 | 167.5° | 56.0° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 176.4° | 180.0° |
| C2 | C3 | C4 | C24 | 1.5° | 0.2° |
| C3 | C2 | O2 | C24 | 1.0° | 0.0° |
| C3 | C2 | C1 | H6 | 1.0° | 150.0° |
| C3 | C2 | C1 | H7 | 120.3° | 30.0° |
| C3 | C4 | C5 | C24 | 177.3° | 179.7° |
| C3 | C4 | C5 | C6 | 7.0° | 179.7° |
| C3 | C4 | C5 | N4 | 178.7° | 0.3° |
| C3 | C4 | C24 | O2 | 0.9° | 0.3° |
| C4 | C3 | C2 | O2 | 1.5° | 0.1° |
| C3 | C4 | C24 | H28 | 179.1° | 179.8° |
| C4 | C5 | C6 | N4 | 174.9° | 180.0° |
| C4 | C5 | C6 | C7 | 175.6° | 180.0° |
| C4 | C5 | N4 | C23 | 176.1° | 180.0° |
| C5 | C4 | C24 | O2 | 176.9° | 180.0° |
| C4 | C5 | C6 | H9 | 4.4° | 0.1° |
| C5 | C4 | C24 | H28 | 3.1° | 0.1° |
| C4 | C5 | N4 | H1 | 4.0° | 0.1° |
| C5 | C4 | C3 | H8 | 3.7° | 0.0° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 177.7° | 180.0° |
| C5 | C6 | C7 | C23 | 0.5° | 0.0° |
| C6 | C5 | N4 | C23 | 0.7° | 0.0° |
| C6 | C5 | C4 | C24 | 170.3° | 0.0° |
| C6 | C5 | N4 | H1 | 179.3° | 180.0° |
| C6 | C7 | C8 | C23 | 177.0° | 180.0° |
| C6 | C7 | C8 | N1 | 4.9° | 0.0° |
| C6 | C7 | C8 | N2 | 179.5° | 180.0° |
| C6 | C7 | C23 | N3 | 177.9° | 180.0° |
| C6 | C7 | C23 | N4 | 0.1° | 0.0° |
| C7 | C6 | C5 | N4 | 0.7° | 0.0° |
| C7 | C8 | N1 | N2 | 174.7° | 179.9° |
| C7 | C8 | N1 | C9 | 165.2° | 180.0° |
| C7 | C8 | N2 | C22 | 1.0° | 0.1° |
| C8 | C7 | C23 | N3 | 0.0° | 0.0° |
| C8 | C7 | C23 | N4 | 178.0° | 180.0° |
| C7 | C8 | N1 | H10 | 72.7° | 0.2° |
| C8 | C7 | C6 | H9 | 2.3° | 0.0° |
| C8 | N1 | C9 | H10 | 122.1° | 179.8° |
| C8 | N1 | C9 | C10 | 87.4° | 155.2° |
| C8 | N1 | C9 | C19 | 147.0° | 84.8° |
| N1 | C8 | N2 | C22 | 173.7° | 180.0° |
| N1 | C8 | C7 | C23 | 172.1° | 179.9° |
| C8 | N1 | C9 | H | 30.7° | 35.2° |
| N1 | C9 | C10 | C19 | 123.4° | 120.0° |
| N1 | C9 | C10 | H | 118.6° | 120.1° |
| N1 | C9 | C10 | C11 | 121.9° | 40.0° |
| N1 | C9 | C10 | C15 | 56.3° | 140.3° |
| N1 | C9 | C19 | H | 116.9° | 120.0° |
| N1 | C9 | C19 | C20 | 57.3° | 60.0° |
| N1 | C9 | C19 | C21 | 177.8° | 60.0° |
| C9 | N1 | C8 | N2 | 20.1° | 0.1° |
| N1 | C9 | C19 | H20 | 60.0° | 180.0° |
| C9 | C10 | C11 | C15 | 178.2° | 179.7° |
| C9 | C10 | C11 | C12 | 179.4° | 179.4° |
| C9 | C10 | C15 | C14 | 176.5° | 179.7° |
| C10 | C9 | C19 | H | 118.1° | 120.0° |
| C10 | C9 | C19 | C20 | 177.7° | 180.0° |
| C10 | C9 | C19 | C21 | 52.8° | 60.0° |
| C10 | C9 | N1 | H10 | 150.6° | 24.9° |
| C9 | C10 | C15 | H13 | 3.5° | 0.3° |
| C9 | C10 | C11 | H11 | 0.6° | 0.6° |
| C10 | C9 | C19 | H20 | 65.0° | 60.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.5° | 0.0° |
| C11 | C10 | C15 | C14 | 1.8° | 0.0° |
| C11 | C10 | C9 | C19 | 114.7° | 80.0° |
| C11 | C10 | C15 | H13 | 178.2° | 180.0° |
| C10 | C11 | C12 | H12 | 178.5° | 180.0° |
| C11 | C10 | C9 | H | 3.3° | 160.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.7° |
| C12 | C11 | C10 | C15 | 1.2° | 0.4° |
| C11 | C12 | C13 | C18 | 178.1° | 178.9° |
| C12 | C13 | C14 | C18 | 179.2° | 179.5° |
| C12 | C13 | C14 | C15 | 4.1° | 1.0° |
| C12 | C13 | C14 | S | 173.1° | 178.1° |
| C12 | C13 | C18 | C17 | 153.4° | 155.8° |
| C12 | C13 | C18 | H18 | 85.9° | 83.1° |
| C12 | C13 | C18 | H19 | 32.7° | 34.7° |
| C13 | C12 | C11 | H11 | 178.5° | 180.0° |
| C13 | C14 | C15 | S | 177.4° | 179.2° |
| C13 | C14 | C15 | C10 | 4.5° | 0.7° |
| C13 | C14 | S | O | 130.0° | 103.5° |
| C13 | C14 | S | O1 | 102.1° | 128.5° |
| C13 | C14 | S | C16 | 15.1° | 12.6° |
| C14 | C13 | C18 | C17 | 27.4° | 24.7° |
| C13 | C14 | C15 | H13 | 175.5° | 179.3° |
| C14 | C13 | C18 | H18 | 93.2° | 96.5° |
| C14 | C13 | C18 | H19 | 148.1° | 145.8° |
| C14 | C13 | C12 | H12 | 178.9° | 179.3° |
| C14 | C15 | C10 | H13 | 180.0° | 180.0° |
| C15 | C14 | S | O | 52.6° | 75.7° |
| C15 | C14 | S | O1 | 75.3° | 52.3° |
| C15 | C14 | S | C16 | 167.5° | 168.3° |
| C15 | C14 | C13 | C18 | 175.1° | 178.5° |
| C10 | C15 | C14 | S | 172.8° | 178.5° |
| C15 | C10 | C9 | C19 | 67.1° | 99.7° |
| C15 | C10 | C11 | H11 | 178.8° | 179.7° |
| C15 | C10 | C9 | H | 174.9° | 20.3° |
| C14 | S | O | O1 | 121.5° | 117.0° |
| C14 | S | O | C16 | 113.1° | 111.0° |
| C14 | S | O1 | C16 | 113.8° | 111.0° |
| C14 | S | C16 | C17 | 43.7° | 44.9° |
| S | C14 | C13 | C18 | 7.7° | 2.4° |
| S | C14 | C15 | H13 | 7.2° | 1.5° |
| C14 | S | C16 | H15 | 76.5° | 74.4° |
| C14 | S | C16 | H14 | 163.9° | 164.3° |
| O | S | O1 | C16 | 124.2° | 132.0° |
| O | S | C16 | C17 | 158.7° | 66.5° |
| O | S | C16 | H15 | 38.6° | 174.1° |
| O | S | C16 | H14 | 81.1° | 52.9° |
| O1 | S | C16 | C17 | 71.4° | 156.3° |
| O1 | S | C16 | H15 | 168.4° | 37.0° |
| O1 | S | C16 | H14 | 48.7° | 84.3° |
| S | C16 | C17 | H15 | 120.2° | 119.4° |
| S | C16 | C17 | H14 | 120.2° | 119.4° |
| S | C16 | C17 | C18 | 67.2° | 71.4° |
| S | C16 | C17 | H16 | 172.7° | 48.5° |
| S | C16 | C17 | H17 | 52.9° | 168.7° |
| S | C16 | H15 | H14 | 119.5° | 121.2° |
| C16 | C17 | C18 | H16 | 120.1° | 119.9° |
| C16 | C17 | C18 | H17 | 120.1° | 120.0° |
| C16 | C17 | C18 | C13 | 57.9° | 61.5° |
| C16 | C17 | H16 | H17 | 119.7° | 120.2° |
| C17 | C16 | H15 | H14 | 119.5° | 121.2° |
| C16 | C17 | C18 | H18 | 62.8° | 59.6° |
| C16 | C17 | C18 | H19 | 178.6° | 177.4° |
| C17 | C18 | C13 | H18 | 120.7° | 121.1° |
| C17 | C18 | C13 | H19 | 120.7° | 121.1° |
| C18 | C17 | H16 | H17 | 119.7° | 120.2° |
| C18 | C17 | C16 | H15 | 53.0° | 48.0° |
| C18 | C17 | C16 | H14 | 172.6° | 169.2° |
| C17 | C18 | H18 | H19 | 117.9° | 117.8° |
| C13 | C18 | C17 | H16 | 178.0° | 58.4° |
| C13 | C18 | C17 | H17 | 62.2° | 178.5° |
| C13 | C18 | H18 | H19 | 117.9° | 117.9° |
| C18 | C13 | C12 | H12 | 1.9° | 1.2° |
| C9 | C19 | C20 | C21 | 125.4° | 120.0° |
| C9 | C19 | C20 | H20 | 117.3° | 120.0° |
| C9 | C19 | C21 | H20 | 117.6° | 120.0° |
| C19 | C9 | N1 | H10 | 24.9° | 95.1° |
| C9 | C19 | C20 | H22 | 180.0° | 180.0° |
| C9 | C19 | C20 | H21 | 60.0° | 60.0° |
| C9 | C19 | C20 | H23 | 60.0° | 60.0° |
| C9 | C19 | C21 | H25 | 180.0° | 60.0° |
| C9 | C19 | C21 | H26 | 60.0° | 60.0° |
| C9 | C19 | C21 | H24 | 60.0° | 180.0° |
| C20 | C19 | C21 | H20 | 117.1° | 120.1° |
| C19 | C20 | H22 | H21 | 120.0° | 119.9° |
| C19 | C20 | H22 | H23 | 120.0° | 120.1° |
| C19 | C20 | H21 | H23 | 120.0° | 120.0° |
| C20 | C19 | C21 | H25 | 54.7° | 60.0° |
| C20 | C19 | C21 | H26 | 174.7° | 180.0° |
| C20 | C19 | C21 | H24 | 65.3° | 60.1° |
| C20 | C19 | C9 | H | 59.6° | 60.0° |
| C21 | C19 | C20 | H22 | 54.6° | 60.1° |
| C21 | C19 | C20 | H21 | 65.4° | 180.0° |
| C21 | C19 | C20 | H23 | 174.6° | 60.0° |
| C19 | C21 | H25 | H26 | 120.0° | 120.0° |
| C19 | C21 | H25 | H24 | 120.0° | 120.0° |
| C19 | C21 | H26 | H24 | 120.0° | 120.0° |
| C21 | C19 | C9 | H | 65.4° | 180.0° |
| C8 | N2 | C22 | N3 | 3.5° | 0.0° |
| N2 | C8 | C7 | C23 | 2.5° | 0.0° |
| N2 | C8 | N1 | H10 | 102.0° | 179.7° |
| C8 | N2 | C22 | H27 | 176.4° | 180.0° |
| N2 | C22 | N3 | H27 | 180.0° | 180.0° |
| N2 | C22 | N3 | C23 | 5.7° | 0.1° |
| C22 | N3 | C23 | C7 | 3.7° | 0.1° |
| C22 | N3 | C23 | N4 | 178.7° | 180.0° |
| N3 | C23 | C7 | N4 | 178.0° | 179.9° |
| N3 | C23 | N4 | C5 | 178.3° | 179.9° |
| C23 | N3 | C22 | H27 | 174.3° | 179.9° |
| N3 | C23 | N4 | H1 | 1.7° | 0.0° |
| C7 | C23 | N4 | C5 | 0.3° | 0.0° |
| C23 | C7 | C6 | H9 | 179.5° | 180.0° |
| C7 | C23 | N4 | H1 | 179.7° | 180.0° |
| C23 | N4 | C5 | H1 | 180.0° | 180.0° |
| N4 | C5 | C4 | C24 | 4.0° | 180.0° |
| N4 | C5 | C6 | H9 | 179.3° | 180.0° |
| C4 | C24 | O2 | H28 | 180.0° | 179.9° |
| C4 | C24 | O2 | C2 | 0.0° | 0.2° |
| C24 | C4 | C3 | H8 | 178.5° | 179.7° |
| C2 | O2 | C24 | H28 | 180.0° | 179.9° |
| O2 | C2 | C3 | H8 | 178.5° | 179.8° |
| O2 | C2 | C1 | H6 | 177.2° | 29.8° |
| O2 | C2 | C1 | H7 | 63.5° | 149.8° |
| H10 | N1 | C9 | H | 91.3° | 145.0° |
| H16 | C17 | C16 | H15 | 67.1° | 167.8° |
| H16 | C17 | C16 | H14 | 52.5° | 71.0° |
| H16 | C17 | C18 | H18 | 57.4° | 179.5° |
| H16 | C17 | C18 | H19 | 61.3° | 62.8° |
| H17 | C17 | C16 | H15 | 173.1° | 72.0° |
| H17 | C17 | C16 | H14 | 67.3° | 49.2° |
| H17 | C17 | C18 | H18 | 177.1° | 60.3° |
| H17 | C17 | C18 | H19 | 58.5° | 57.4° |
| H22 | C20 | H21 | H23 | 120.0° | 120.0° |
| H22 | C20 | C19 | H20 | 62.7° | 59.9° |
| H21 | C20 | C19 | H20 | 177.3° | 60.0° |
| H23 | C20 | C19 | H20 | 57.3° | 180.0° |
| H25 | C21 | H26 | H24 | 120.0° | 119.9° |
| H25 | C21 | C19 | H20 | 62.4° | 180.0° |
| H26 | C21 | C19 | H20 | 57.7° | 60.0° |
| H24 | C21 | C19 | H20 | 177.6° | 60.0° |
| H12 | C12 | C11 | H11 | 1.5° | 0.0° |
| H | C9 | C19 | H20 | 176.9° | 60.0° |
| H6 | C1 | N | H5 | 72.2° | 64.0° |
| H7 | C1 | N | H5 | 47.1° | 176.0° |
| H5 | N | C | H2 | 59.6° | 63.9° |
| H5 | N | C | H4 | 60.4° | 176.1° |
| H5 | N | C | H3 | 179.6° | 56.1° |
| H2 | C | H4 | H3 | 120.0° | 120.0° |
