A1IZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| N | C12 | sing | 1.39Å | 1.39Å | |
| C13 | N | sing | 1.39Å | 1.36Å | |
| C13 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C14 | sing | 1.32Å | 1.33Å | Aromatic |
| N2 | C14 | sing | 1.38Å | 1.35Å | |
| C15 | N2 | sing | 1.47Å | 1.44Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C17 | N3 | sing | 1.49Å | 1.46Å | |
| N3 | C18 | sing | 1.48Å | 1.46Å | |
| C18 | C15 | sing | 1.54Å | 1.53Å | |
| C19 | N3 | sing | 1.39Å | 1.36Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | N4 | sing | 1.32Å | 1.32Å | Aromatic |
| N4 | N5 | doub | 1.28Å | 1.33Å | Aromatic |
| N5 | C19 | sing | 1.33Å | 1.32Å | Aromatic |
| C14 | C23 | doub | 1.42Å | 1.44Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.36Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C28 | sing | 1.42Å | 1.41Å | Aromatic |
| C28 | N6 | doub | 1.34Å | 1.38Å | Aromatic |
| N6 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C29 | sing | 1.47Å | 1.49Å | |
| C29 | O1 | doub | 1.22Å | 1.24Å | |
| O2 | C29 | sing | 1.35Å | 1.27Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.3° | 117.0° |
| O | C | H1 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C | H3 | 109.5° | 109.5° |
| O | C1 | C2 | 114.4° | 120.0° |
| O | C1 | C6 | 125.1° | 120.0° |
| C1 | C2 | C3 | 119.4° | 120.2° |
| C2 | C1 | C6 | 120.5° | 120.0° |
| C1 | C2 | H4 | 120.3° | 119.9° |
| C2 | C3 | C4 | 120.3° | 120.2° |
| C3 | C2 | H4 | 120.3° | 119.9° |
| C2 | C3 | H5 | 119.8° | 119.9° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C4 | C3 | H5 | 119.9° | 119.9° |
| C3 | C4 | H6 | 119.7° | 120.0° |
| C4 | C5 | C6 | 119.4° | 119.8° |
| C4 | C5 | C7 | 122.7° | 120.1° |
| C5 | C4 | H6 | 119.8° | 120.0° |
| C5 | C6 | C1 | 119.8° | 119.8° |
| C6 | C5 | C7 | 117.8° | 120.1° |
| C5 | C6 | H7 | 120.1° | 120.1° |
| C1 | C6 | H7 | 120.1° | 120.1° |
| C5 | C7 | C8 | 118.2° | 120.1° |
| C5 | C7 | C12 | 123.2° | 120.1° |
| C7 | C8 | C9 | 121.6° | 119.8° |
| C8 | C7 | C12 | 118.5° | 119.8° |
| C7 | C8 | H8 | 119.2° | 120.1° |
| C8 | C9 | C10 | 119.2° | 120.0° |
| C8 | C9 | C29 | 121.4° | 120.0° |
| C9 | C8 | H8 | 119.2° | 120.1° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C10 | C9 | C29 | 119.4° | 120.0° |
| C9 | C10 | H9 | 119.9° | 119.9° |
| C10 | C11 | C12 | 120.4° | 120.2° |
| C11 | C10 | H9 | 119.9° | 119.9° |
| C10 | C11 | H10 | 119.8° | 119.9° |
| C11 | C12 | C7 | 120.1° | 120.0° |
| C11 | C12 | N | 117.0° | 120.0° |
| C12 | C11 | H10 | 119.8° | 119.9° |
| C7 | C12 | N | 122.7° | 120.0° |
| C12 | N | C13 | 134.8° | 120.0° |
| C12 | N | H11 | 112.6° | 120.0° |
| N | C13 | N1 | 114.5° | 118.6° |
| N | C13 | N6 | 117.5° | 118.6° |
| C13 | N | H11 | 112.6° | 120.0° |
| C13 | N1 | C14 | 117.7° | 121.4° |
| N1 | C13 | N6 | 127.9° | 122.8° |
| N1 | C14 | N2 | 117.4° | 120.8° |
| N1 | C14 | C23 | 121.2° | 118.3° |
| C14 | N2 | C15 | 122.8° | 120.0° |
| N2 | C14 | C23 | 121.4° | 120.8° |
| C14 | N2 | H12 | 106.0° | 120.0° |
| N2 | C15 | C16 | 112.9° | 110.3° |
| N2 | C15 | C18 | 110.8° | 110.4° |
| N2 | C15 | H | 110.6° | 110.3° |
| C15 | N2 | H12 | 106.1° | 120.0° |
| C15 | C16 | C17 | 105.4° | 105.1° |
| C16 | C15 | C18 | 103.7° | 105.0° |
| C16 | C15 | H | 109.3° | 110.3° |
| C15 | C16 | H14 | 110.5° | 110.3° |
| C15 | C16 | H13 | 110.4° | 110.3° |
| C16 | C17 | N3 | 103.3° | 104.5° |
| C17 | C16 | H14 | 110.5° | 110.3° |
| C17 | C16 | H13 | 110.5° | 110.3° |
| C16 | C17 | H16 | 111.0° | 110.4° |
| C16 | C17 | H15 | 111.0° | 110.4° |
| C17 | N3 | C18 | 113.6° | 104.2° |
| C17 | N3 | C19 | 123.7° | 111.0° |
| N3 | C17 | H16 | 111.0° | 110.4° |
| N3 | C17 | H15 | 111.0° | 110.4° |
| N3 | C18 | C15 | 103.1° | 104.6° |
| C18 | N3 | C19 | 122.7° | 111.0° |
| N3 | C18 | H18 | 111.0° | 110.5° |
| N3 | C18 | H17 | 111.0° | 110.5° |
| C18 | C15 | H | 109.3° | 110.5° |
| C15 | C18 | H18 | 111.0° | 110.4° |
| C15 | C18 | H17 | 111.0° | 110.4° |
| N3 | C19 | C20 | 122.2° | 120.2° |
| N3 | C19 | N5 | 114.0° | 120.2° |
| C19 | C20 | C21 | 115.9° | 117.9° |
| C20 | C19 | N5 | 123.8° | 119.7° |
| C19 | C20 | H19 | 122.0° | 121.0° |
| C20 | C21 | C22 | 118.2° | 118.0° |
| C21 | C20 | H19 | 122.1° | 121.0° |
| C20 | C21 | H20 | 120.9° | 121.0° |
| C21 | C22 | N4 | 123.3° | 120.0° |
| C22 | C21 | H20 | 120.9° | 120.9° |
| C21 | C22 | H21 | 118.4° | 120.0° |
| C22 | N4 | N5 | 119.0° | 122.3° |
| N4 | C22 | H21 | 118.4° | 120.0° |
| N4 | N5 | C19 | 119.8° | 122.1° |
| C14 | C23 | C24 | 125.6° | 122.1° |
| C14 | C23 | C28 | 116.0° | 118.3° |
| C23 | C24 | C25 | 121.0° | 119.5° |
| C24 | C23 | C28 | 118.4° | 119.7° |
| C23 | C24 | H22 | 119.5° | 120.2° |
| C24 | C25 | C26 | 120.7° | 120.9° |
| C25 | C24 | H22 | 119.5° | 120.2° |
| C24 | C25 | H23 | 119.7° | 119.5° |
| C25 | C26 | C27 | 120.6° | 121.0° |
| C25 | C26 | H24 | 119.7° | 119.5° |
| C26 | C25 | H23 | 119.6° | 119.6° |
| C26 | C27 | C28 | 120.3° | 119.6° |
| C26 | C27 | H25 | 119.8° | 120.2° |
| C27 | C26 | H24 | 119.7° | 119.5° |
| C27 | C28 | C23 | 119.0° | 119.3° |
| C27 | C28 | N6 | 119.0° | 121.9° |
| C28 | C27 | H25 | 119.9° | 120.2° |
| C23 | C28 | N6 | 122.0° | 118.8° |
| C28 | N6 | C13 | 115.2° | 120.4° |
| C9 | C29 | O1 | 118.8° | 120.0° |
| C9 | C29 | O2 | 117.9° | 120.0° |
| O1 | C29 | O2 | 123.3° | 120.0° |
| C29 | O2 | H26 | 109.5° | 117.0° |
| H14 | C16 | H13 | 109.5° | 110.3° |
| H1 | C | H2 | 109.4° | 109.5° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.4° |
| H18 | C18 | H17 | 109.5° | 110.4° |
| H16 | C17 | H15 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 177.1° | 0.0° |
| C | O | C1 | C6 | 2.0° | 179.7° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| O | C | H1 | H3 | 120.0° | 120.0° |
| O | C | H2 | H3 | 120.0° | 120.0° |
| O | C1 | C2 | C6 | 179.1° | 179.7° |
| O | C1 | C2 | C3 | 179.9° | 179.8° |
| O | C1 | C6 | C5 | 179.6° | 179.7° |
| O | C1 | C2 | H4 | 0.1° | 0.3° |
| O | C1 | C6 | H7 | 0.4° | 0.3° |
| C1 | O | C | H1 | 180.0° | 180.0° |
| C1 | O | C | H2 | 60.0° | 60.0° |
| C1 | O | C | H3 | 60.0° | 60.0° |
| C1 | C2 | C3 | H4 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C2 | C1 | C6 | C5 | 1.4° | 0.0° |
| C1 | C2 | C3 | H5 | 179.8° | 180.0° |
| C2 | C1 | C6 | H7 | 178.6° | 180.0° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C3 | C2 | C1 | C6 | 0.8° | 0.1° |
| C2 | C3 | C4 | H6 | 179.5° | 180.0° |
| C3 | C4 | C5 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | C7 | 178.6° | 179.9° |
| C4 | C3 | C2 | H4 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 178.5° | 180.0° |
| C4 | C5 | C6 | C1 | 1.1° | 0.0° |
| C4 | C5 | C7 | C8 | 129.0° | 129.9° |
| C4 | C5 | C7 | C12 | 54.3° | 50.3° |
| C5 | C4 | C3 | H5 | 179.5° | 180.0° |
| C4 | C5 | C6 | H7 | 178.9° | 180.0° |
| C5 | C6 | C1 | H7 | 180.0° | 180.0° |
| C6 | C5 | C7 | C8 | 52.6° | 50.1° |
| C6 | C5 | C7 | C12 | 124.2° | 129.7° |
| C6 | C5 | C4 | H6 | 179.8° | 179.9° |
| C1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C6 | C1 | C2 | H4 | 179.2° | 180.0° |
| C5 | C7 | C8 | C12 | 176.9° | 179.8° |
| C5 | C7 | C8 | C9 | 178.8° | 179.7° |
| C5 | C7 | C12 | C11 | 178.9° | 179.7° |
| C5 | C7 | C12 | N | 5.0° | 0.2° |
| C5 | C7 | C8 | H8 | 1.2° | 0.3° |
| C7 | C5 | C4 | H6 | 1.4° | 0.1° |
| C7 | C5 | C6 | H7 | 0.4° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C7 | C12 | C11 | 2.1° | 0.1° |
| C8 | C7 | C12 | N | 178.3° | 180.0° |
| C7 | C8 | C9 | C29 | 178.0° | 180.0° |
| C8 | C9 | C10 | C29 | 178.5° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C9 | C8 | C7 | C12 | 1.8° | 0.0° |
| C8 | C9 | C29 | O1 | 168.0° | 0.0° |
| C8 | C9 | C29 | O2 | 10.6° | 180.0° |
| C8 | C9 | C10 | H9 | 179.4° | 180.0° |
| C9 | C10 | C11 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C9 | C29 | O1 | 10.5° | 179.9° |
| C10 | C9 | C29 | O2 | 171.0° | 0.0° |
| C10 | C9 | C8 | H8 | 179.5° | 180.0° |
| C9 | C10 | C11 | H10 | 179.7° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 1.1° | 0.0° |
| C10 | C11 | C12 | N | 177.4° | 180.0° |
| C11 | C10 | C9 | C29 | 179.1° | 180.0° |
| C11 | C12 | C7 | N | 176.2° | 180.0° |
| C11 | C12 | N | C13 | 62.8° | 36.2° |
| C12 | C11 | C10 | H9 | 179.7° | 180.0° |
| C11 | C12 | N | H11 | 117.2° | 143.9° |
| C7 | C12 | N | C13 | 120.9° | 143.9° |
| C12 | C7 | C8 | H8 | 178.1° | 180.0° |
| C7 | C12 | C11 | H10 | 179.0° | 180.0° |
| C7 | C12 | N | H11 | 59.1° | 36.1° |
| C12 | N | C13 | H11 | 180.0° | 180.0° |
| C12 | N | C13 | N1 | 10.3° | 174.2° |
| C12 | N | C13 | N6 | 172.6° | 5.8° |
| N | C12 | C11 | H10 | 2.6° | 0.0° |
| N | C13 | N1 | N6 | 176.7° | 180.0° |
| N | C13 | N1 | C14 | 177.4° | 180.0° |
| N | C13 | N6 | C28 | 177.9° | 180.0° |
| C13 | N1 | C14 | N2 | 179.2° | 180.0° |
| C13 | N1 | C14 | C23 | 0.4° | 0.0° |
| N1 | C13 | N6 | C28 | 1.2° | 0.0° |
| N1 | C13 | N | H11 | 169.7° | 5.8° |
| N1 | C14 | N2 | C23 | 178.8° | 180.0° |
| N1 | C14 | N2 | C15 | 7.1° | 0.1° |
| N1 | C14 | C23 | C24 | 180.0° | 180.0° |
| N1 | C14 | C23 | C28 | 0.6° | 0.0° |
| C14 | N1 | C13 | N6 | 0.6° | 0.0° |
| N1 | C14 | N2 | H12 | 129.0° | 180.0° |
| C14 | N2 | C15 | H12 | 121.8° | 179.9° |
| C14 | N2 | C15 | C16 | 171.5° | 86.5° |
| C14 | N2 | C15 | C18 | 72.6° | 157.9° |
| N2 | C14 | C23 | C24 | 1.2° | 0.0° |
| N2 | C14 | C23 | C28 | 179.4° | 180.0° |
| C14 | N2 | C15 | H | 48.7° | 35.6° |
| N2 | C15 | C16 | C18 | 120.0° | 118.9° |
| N2 | C15 | C16 | H | 123.5° | 122.0° |
| N2 | C15 | C16 | C17 | 153.3° | 118.9° |
| N2 | C15 | C18 | N3 | 150.6° | 142.8° |
| N2 | C15 | C18 | H | 122.1° | 122.2° |
| C15 | N2 | C14 | C23 | 174.0° | 180.0° |
| N2 | C15 | C16 | H14 | 87.3° | 122.1° |
| N2 | C15 | C16 | H13 | 33.9° | 0.0° |
| N2 | C15 | C18 | H18 | 90.4° | 23.9° |
| N2 | C15 | C18 | H17 | 31.6° | 98.4° |
| C15 | C16 | C17 | H14 | 119.4° | 118.9° |
| C15 | C16 | C17 | H13 | 119.3° | 118.9° |
| C15 | C16 | C17 | N3 | 23.8° | 23.9° |
| C16 | C15 | C18 | N3 | 29.2° | 23.9° |
| C16 | C15 | C18 | H | 116.5° | 118.9° |
| C15 | C16 | H14 | H13 | 121.8° | 122.2° |
| C16 | C15 | N2 | H12 | 49.7° | 93.6° |
| C16 | C15 | C18 | H18 | 148.1° | 95.0° |
| C16 | C15 | C18 | H17 | 89.8° | 142.7° |
| C15 | C16 | C17 | H16 | 95.3° | 142.6° |
| C15 | C16 | C17 | H15 | 142.7° | 94.9° |
| C16 | C17 | N3 | H16 | 119.0° | 118.8° |
| C16 | C17 | N3 | H15 | 119.0° | 118.8° |
| C16 | C17 | N3 | C18 | 5.2° | 39.5° |
| C17 | C16 | C15 | C18 | 33.3° | 0.0° |
| C16 | C17 | N3 | C19 | 175.6° | 159.0° |
| C17 | C16 | C15 | H | 83.2° | 119.1° |
| C17 | C16 | H14 | H13 | 121.9° | 122.2° |
| C16 | C17 | H16 | H15 | 122.9° | 122.5° |
| C17 | N3 | C18 | C19 | 179.2° | 119.5° |
| C17 | N3 | C18 | C15 | 15.3° | 39.5° |
| C17 | N3 | C19 | C20 | 2.7° | 64.6° |
| C17 | N3 | C19 | N5 | 177.5° | 115.7° |
| N3 | C17 | C16 | H14 | 143.1° | 95.1° |
| N3 | C17 | C16 | H13 | 95.6° | 142.8° |
| C17 | N3 | C18 | H18 | 134.3° | 79.3° |
| C17 | N3 | C18 | H17 | 103.7° | 158.3° |
| N3 | C17 | H16 | H15 | 122.9° | 122.4° |
| N3 | C18 | C15 | H18 | 119.0° | 118.9° |
| N3 | C18 | C15 | H17 | 119.0° | 118.8° |
| C18 | N3 | C19 | C20 | 176.4° | 180.0° |
| C18 | N3 | C19 | N5 | 3.4° | 0.3° |
| N3 | C18 | C15 | H | 87.3° | 95.0° |
| N3 | C18 | H18 | H17 | 122.9° | 122.5° |
| C18 | N3 | C17 | H16 | 113.8° | 158.3° |
| C18 | N3 | C17 | H15 | 124.2° | 79.2° |
| C15 | C18 | N3 | C19 | 163.9° | 159.1° |
| C18 | C15 | C16 | H14 | 152.7° | 118.9° |
| C18 | C15 | C16 | H13 | 86.1° | 118.9° |
| C18 | C15 | N2 | H12 | 165.5° | 22.0° |
| C15 | C18 | H18 | H17 | 123.0° | 122.3° |
| N3 | C19 | C20 | N5 | 179.8° | 179.7° |
| N3 | C19 | C20 | C21 | 179.4° | 180.0° |
| N3 | C19 | N5 | N4 | 179.4° | 179.8° |
| N3 | C19 | C20 | H19 | 0.6° | 0.0° |
| C19 | N3 | C18 | H18 | 44.9° | 40.2° |
| C19 | N3 | C18 | H17 | 77.1° | 82.2° |
| C19 | N3 | C17 | H16 | 65.4° | 82.2° |
| C19 | N3 | C17 | H15 | 56.6° | 40.3° |
| C19 | C20 | C21 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | N5 | N4 | 0.4° | 0.5° |
| C19 | C20 | C21 | H20 | 179.8° | 180.0° |
| C20 | C21 | C22 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | N4 | 0.2° | 0.0° |
| C21 | C20 | C19 | N5 | 0.4° | 0.2° |
| C20 | C21 | C22 | H21 | 179.9° | 180.0° |
| C21 | C22 | N4 | H21 | 180.0° | 180.0° |
| C21 | C22 | N4 | N5 | 0.2° | 0.3° |
| C22 | C21 | C20 | H19 | 179.8° | 179.9° |
| C22 | N4 | N5 | C19 | 0.3° | 0.5° |
| N4 | C22 | C21 | H20 | 179.8° | 180.0° |
| N5 | N4 | C22 | H21 | 179.8° | 179.7° |
| N5 | C19 | C20 | H19 | 179.6° | 179.7° |
| C14 | C23 | C24 | C28 | 179.4° | 180.0° |
| C14 | C23 | C24 | C25 | 179.8° | 180.0° |
| C14 | C23 | C28 | C27 | 179.9° | 180.0° |
| C14 | C23 | C28 | N6 | 0.0° | 0.0° |
| C14 | C23 | C24 | H22 | 0.2° | 0.0° |
| C23 | C14 | N2 | H12 | 52.2° | 0.0° |
| C23 | C24 | C25 | H22 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.2° | 0.0° |
| C24 | C23 | C28 | C27 | 0.5° | 0.0° |
| C24 | C23 | C28 | N6 | 179.5° | 180.0° |
| C23 | C24 | C25 | H23 | 178.8° | 180.0° |
| C24 | C25 | C26 | H23 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.1° | 0.0° |
| C25 | C24 | C23 | C28 | 0.9° | 0.0° |
| C24 | C25 | C26 | H24 | 178.9° | 179.9° |
| C25 | C26 | C27 | H24 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.7° | 0.0° |
| C26 | C25 | C24 | H22 | 178.8° | 180.0° |
| C25 | C26 | C27 | H25 | 179.3° | 180.0° |
| C26 | C27 | C28 | H25 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.4° | 0.0° |
| C26 | C27 | C28 | N6 | 179.5° | 179.9° |
| C27 | C26 | C25 | H23 | 178.9° | 180.0° |
| C27 | C28 | C23 | N6 | 179.9° | 179.9° |
| C27 | C28 | N6 | C13 | 179.2° | 180.0° |
| C28 | C27 | C26 | H24 | 179.3° | 180.0° |
| C23 | C28 | N6 | C13 | 0.8° | 0.0° |
| C28 | C23 | C24 | H22 | 179.1° | 180.0° |
| C23 | C28 | C27 | H25 | 179.6° | 180.0° |
| N6 | C28 | C27 | H25 | 0.5° | 0.1° |
| N6 | C13 | N | H11 | 7.4° | 174.2° |
| C9 | C29 | O1 | O2 | 178.5° | 180.0° |
| C29 | C9 | C8 | H8 | 2.0° | 0.0° |
| C29 | C9 | C10 | H9 | 0.9° | 0.0° |
| C9 | C29 | O2 | H26 | 178.5° | 180.0° |
| O1 | C29 | O2 | H26 | 0.0° | 0.0° |
| H4 | C2 | C3 | H5 | 0.2° | 0.0° |
| H5 | C3 | C4 | H6 | 0.5° | 0.1° |
| H9 | C10 | C11 | H10 | 0.3° | 0.1° |
| H | C15 | C16 | H14 | 36.2° | 0.1° |
| H | C15 | C16 | H13 | 157.4° | 122.0° |
| H | C15 | N2 | H12 | 73.1° | 144.4° |
| H | C15 | C18 | H18 | 31.7° | 146.1° |
| H | C15 | C18 | H17 | 153.7° | 23.8° |
| H14 | C16 | C17 | H16 | 24.1° | 23.6° |
| H14 | C16 | C17 | H15 | 97.9° | 146.2° |
| H13 | C16 | C17 | H16 | 145.4° | 98.5° |
| H13 | C16 | C17 | H15 | 23.4° | 24.0° |
| H19 | C20 | C21 | H20 | 0.2° | 0.0° |
| H20 | C21 | C22 | H21 | 0.2° | 0.0° |
| H22 | C24 | C25 | H23 | 1.2° | 0.0° |
| H25 | C27 | C26 | H24 | 0.7° | 0.1° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H24 | C26 | C25 | H23 | 1.1° | 0.1° |
