N28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C10 | sing | 1.43Å | 1.41Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | N3 | sing | 1.46Å | 1.47Å | |
| C11 | N3 | sing | 1.46Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| N3 | C6 | sing | 1.35Å | 1.37Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | N4 | sing | 1.42Å | 1.38Å | |
| C12 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| N4 | C16 | sing | 1.35Å | 1.32Å | |
| C16 | O3 | doub | 1.22Å | 1.23Å | |
| O1 | C6 | doub | 1.22Å | 1.24Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C5 | sing | 1.40Å | 1.41Å | |
| C5 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H27 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C10 | C9 | 111.6° | 109.4° |
| O2 | C10 | H15 | 108.9° | 109.5° |
| O2 | C10 | H14 | 108.9° | 109.5° |
| C10 | O2 | H16 | 109.5° | 114.0° |
| C9 | C8 | C7 | 114.0° | 109.5° |
| C8 | C9 | C10 | 114.3° | 109.4° |
| C9 | C8 | H11 | 108.3° | 109.5° |
| C9 | C8 | H10 | 108.3° | 109.4° |
| C8 | C9 | H12 | 108.3° | 109.5° |
| C8 | C9 | H13 | 108.2° | 109.5° |
| C8 | C7 | N3 | 114.3° | 109.5° |
| C8 | C7 | H9 | 108.3° | 109.5° |
| C8 | C7 | H8 | 108.3° | 109.5° |
| C7 | C8 | H11 | 108.3° | 109.5° |
| C7 | C8 | H10 | 108.3° | 109.5° |
| C10 | C9 | H12 | 108.2° | 109.5° |
| C10 | C9 | H13 | 108.2° | 109.5° |
| C9 | C10 | H15 | 108.9° | 109.5° |
| C9 | C10 | H14 | 108.9° | 109.4° |
| C7 | N3 | C11 | 116.0° | 120.0° |
| C7 | N3 | C6 | 119.5° | 120.0° |
| N3 | C7 | H9 | 108.3° | 109.5° |
| N3 | C7 | H8 | 108.3° | 109.5° |
| N3 | C11 | C12 | 116.0° | 109.5° |
| C11 | N3 | C6 | 124.5° | 120.0° |
| N3 | C11 | H17 | 107.8° | 109.5° |
| N3 | C11 | H18 | 107.8° | 109.5° |
| C11 | C12 | C13 | 119.0° | 119.8° |
| C11 | C12 | C18 | 123.1° | 119.8° |
| C12 | C11 | H17 | 107.8° | 109.5° |
| C12 | C11 | H18 | 107.8° | 109.5° |
| N3 | C6 | O1 | 119.1° | 120.0° |
| N3 | C6 | N2 | 119.3° | 120.0° |
| C12 | C13 | C14 | 121.1° | 120.1° |
| C13 | C12 | C18 | 117.9° | 120.3° |
| C12 | C13 | H19 | 119.4° | 119.9° |
| C13 | C14 | C15 | 121.4° | 119.8° |
| C14 | C13 | H19 | 119.5° | 120.0° |
| C13 | C14 | H20 | 119.3° | 120.1° |
| O4 | N4 | C16 | 118.2° | 120.0° |
| O4 | N4 | H21 | 120.9° | 120.0° |
| N4 | O4 | H22 | 109.5° | 114.0° |
| C12 | C18 | C17 | 120.9° | 120.2° |
| C12 | C18 | H24 | 119.6° | 119.9° |
| C14 | C15 | C17 | 117.9° | 119.7° |
| C14 | C15 | C16 | 114.1° | 120.1° |
| C15 | C14 | H20 | 119.3° | 120.1° |
| C18 | C17 | C15 | 120.8° | 119.8° |
| C18 | C17 | H23 | 119.6° | 120.1° |
| C17 | C18 | H24 | 119.6° | 119.9° |
| C17 | C15 | C16 | 127.8° | 120.2° |
| C15 | C17 | H23 | 119.6° | 120.0° |
| C15 | C16 | N4 | 118.8° | 119.9° |
| C15 | C16 | O3 | 121.0° | 120.0° |
| N4 | C16 | O3 | 120.3° | 120.0° |
| C16 | N4 | H21 | 120.9° | 120.1° |
| O1 | C6 | N2 | 121.6° | 120.0° |
| C6 | N2 | C5 | 126.4° | 120.0° |
| C6 | N2 | H7 | 116.8° | 120.0° |
| N2 | C5 | C19 | 122.6° | 120.1° |
| N2 | C5 | C4 | 118.3° | 120.1° |
| C5 | N2 | H7 | 116.8° | 120.0° |
| C19 | C5 | C4 | 119.0° | 119.9° |
| C5 | C19 | C20 | 120.2° | 119.9° |
| C5 | C19 | H25 | 119.9° | 120.0° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C5 | C4 | H6 | 119.8° | 120.1° |
| C19 | C20 | C2 | 121.2° | 120.1° |
| C20 | C19 | H25 | 119.9° | 120.1° |
| C19 | C20 | H26 | 119.4° | 119.9° |
| C4 | C3 | C2 | 121.3° | 120.1° |
| C4 | C3 | H5 | 119.3° | 119.9° |
| C3 | C4 | H6 | 119.9° | 120.0° |
| C20 | C2 | C3 | 118.0° | 120.1° |
| C20 | C2 | C1 | 122.5° | 119.9° |
| C2 | C20 | H26 | 119.4° | 120.0° |
| C3 | C2 | C1 | 119.6° | 119.9° |
| C2 | C3 | H5 | 119.4° | 120.0° |
| C2 | C1 | N1 | 114.1° | 109.4° |
| C2 | C1 | H4 | 108.3° | 109.5° |
| C2 | C1 | H3 | 108.3° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H27 | 109.5° | 111.0° |
| N1 | C1 | H4 | 108.3° | 109.4° |
| N1 | C1 | H3 | 108.3° | 109.5° |
| H1 | N1 | H27 | 109.5° | 111.0° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H9 | C7 | H8 | 109.4° | 109.5° |
| H11 | C8 | H10 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H15 | C10 | H14 | 109.4° | 109.5° |
| H17 | C11 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C10 | C9 | C8 | 78.4° | 180.0° |
| O2 | C10 | C9 | H15 | 120.3° | 120.0° |
| O2 | C10 | C9 | H14 | 120.4° | 119.9° |
| O2 | C10 | C9 | H12 | 160.8° | 60.0° |
| O2 | C10 | C9 | H13 | 42.3° | 60.0° |
| O2 | C10 | H15 | H14 | 119.0° | 120.0° |
| C9 | C8 | C7 | H11 | 120.7° | 120.1° |
| C9 | C8 | C7 | H10 | 120.7° | 119.9° |
| C8 | C9 | C10 | H12 | 120.7° | 120.0° |
| C8 | C9 | C10 | H13 | 120.7° | 119.9° |
| C9 | C8 | C7 | N3 | 6.5° | 180.0° |
| C9 | C8 | C7 | H9 | 114.2° | 59.9° |
| C9 | C8 | C7 | H8 | 127.2° | 60.0° |
| C9 | C8 | H11 | H10 | 118.0° | 120.0° |
| C8 | C9 | H12 | H13 | 117.8° | 120.0° |
| C8 | C9 | C10 | H15 | 161.2° | 60.0° |
| C8 | C9 | C10 | H14 | 41.9° | 60.1° |
| C7 | C8 | C9 | C10 | 161.5° | 180.0° |
| C8 | C7 | N3 | H9 | 120.7° | 120.0° |
| C8 | C7 | N3 | H8 | 120.7° | 120.0° |
| C8 | C7 | N3 | C11 | 85.1° | 90.0° |
| C8 | C7 | N3 | C6 | 95.8° | 90.0° |
| C8 | C7 | H9 | H8 | 117.8° | 120.0° |
| C7 | C8 | H11 | H10 | 117.9° | 120.0° |
| C7 | C8 | C9 | H12 | 40.8° | 60.0° |
| C7 | C8 | C9 | H13 | 77.8° | 60.0° |
| C10 | C9 | C8 | H11 | 40.8° | 60.0° |
| C10 | C9 | C8 | H10 | 77.9° | 60.1° |
| C10 | C9 | H12 | H13 | 117.7° | 120.0° |
| C9 | C10 | H15 | H14 | 119.0° | 120.0° |
| C9 | C10 | O2 | H16 | 180.0° | 180.0° |
| C7 | N3 | C11 | C6 | 179.1° | 180.0° |
| C7 | N3 | C11 | C12 | 92.4° | 90.0° |
| C7 | N3 | C6 | O1 | 13.0° | 180.0° |
| C7 | N3 | C6 | N2 | 167.7° | 0.0° |
| N3 | C7 | H9 | H8 | 117.8° | 120.0° |
| N3 | C7 | C8 | H11 | 127.2° | 60.0° |
| N3 | C7 | C8 | H10 | 114.1° | 60.0° |
| C7 | N3 | C11 | H17 | 28.5° | 30.0° |
| C7 | N3 | C11 | H18 | 146.6° | 150.0° |
| N3 | C11 | C12 | H17 | 120.9° | 120.0° |
| N3 | C11 | C12 | H18 | 121.0° | 120.0° |
| N3 | C11 | C12 | C13 | 172.7° | 89.8° |
| N3 | C11 | C12 | C18 | 7.5° | 90.0° |
| C11 | N3 | C6 | O1 | 166.1° | 0.0° |
| C11 | N3 | C6 | N2 | 13.2° | 180.0° |
| C11 | N3 | C7 | H9 | 154.2° | 30.0° |
| C11 | N3 | C7 | H8 | 35.7° | 150.0° |
| N3 | C11 | H17 | H18 | 117.0° | 120.0° |
| C12 | C11 | N3 | C6 | 86.7° | 90.0° |
| C11 | C12 | C13 | C18 | 179.8° | 179.8° |
| C11 | C12 | C13 | C14 | 178.9° | 180.0° |
| C11 | C12 | C18 | C17 | 179.0° | 179.7° |
| C12 | C11 | H17 | H18 | 117.0° | 120.0° |
| C11 | C12 | C13 | H19 | 1.1° | 0.1° |
| C11 | C12 | C18 | H24 | 1.0° | 0.0° |
| N3 | C6 | O1 | N2 | 179.2° | 180.0° |
| N3 | C6 | N2 | C5 | 175.4° | 174.7° |
| N3 | C6 | N2 | H7 | 4.6° | 5.3° |
| C6 | N3 | C7 | H9 | 25.0° | 150.0° |
| C6 | N3 | C7 | H8 | 143.5° | 30.0° |
| C6 | N3 | C11 | H17 | 152.3° | 150.0° |
| C6 | N3 | C11 | H18 | 34.3° | 30.0° |
| C12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.7° | 0.0° |
| C13 | C12 | C18 | C17 | 0.8° | 0.5° |
| C13 | C12 | C11 | H17 | 51.7° | 150.2° |
| C13 | C12 | C11 | H18 | 66.3° | 30.2° |
| C12 | C13 | C14 | H20 | 178.3° | 180.0° |
| C13 | C12 | C18 | H24 | 179.2° | 179.8° |
| C14 | C13 | C12 | C18 | 0.9° | 0.3° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 2.4° | 0.0° |
| C13 | C14 | C15 | C16 | 177.4° | 180.0° |
| O4 | N4 | C16 | C15 | 141.5° | 180.0° |
| O4 | N4 | C16 | H21 | 180.0° | 180.0° |
| O4 | N4 | C16 | O3 | 38.1° | 0.0° |
| C12 | C18 | C17 | H24 | 180.0° | 179.7° |
| C12 | C18 | C17 | C15 | 1.6° | 0.5° |
| C18 | C12 | C11 | H17 | 128.5° | 30.0° |
| C18 | C12 | C11 | H18 | 113.5° | 150.0° |
| C18 | C12 | C13 | H19 | 179.1° | 179.7° |
| C12 | C18 | C17 | H23 | 178.4° | 179.7° |
| C14 | C15 | C17 | C18 | 2.3° | 0.2° |
| C14 | C15 | C17 | C16 | 174.2° | 180.0° |
| C14 | C15 | C16 | N4 | 147.6° | 180.0° |
| C14 | C15 | C16 | O3 | 32.0° | 0.0° |
| C15 | C14 | C13 | H19 | 178.3° | 180.0° |
| C14 | C15 | C17 | H23 | 177.6° | 180.0° |
| C18 | C17 | C15 | H23 | 180.0° | 179.8° |
| C18 | C17 | C15 | C16 | 176.6° | 179.7° |
| C17 | C15 | C16 | N4 | 38.0° | 0.0° |
| C17 | C15 | C16 | O3 | 142.4° | 179.9° |
| C17 | C15 | C14 | H20 | 177.6° | 180.0° |
| C15 | C17 | C18 | H24 | 178.4° | 179.8° |
| C15 | C16 | N4 | O3 | 179.6° | 180.0° |
| C16 | C15 | C14 | H20 | 2.6° | 0.0° |
| C15 | C16 | N4 | H21 | 38.5° | 0.0° |
| C16 | C15 | C17 | H23 | 3.4° | 0.0° |
| C16 | N4 | O4 | H22 | 17.3° | 180.0° |
| O3 | C16 | N4 | H21 | 141.9° | 179.9° |
| O1 | C6 | N2 | C5 | 5.4° | 5.3° |
| O1 | C6 | N2 | H7 | 174.6° | 174.7° |
| C6 | N2 | C5 | H7 | 180.0° | 180.0° |
| C6 | N2 | C5 | C19 | 31.4° | 33.2° |
| C6 | N2 | C5 | C4 | 149.1° | 146.5° |
| N2 | C5 | C19 | C4 | 179.5° | 179.7° |
| N2 | C5 | C19 | C20 | 179.6° | 180.0° |
| N2 | C5 | C4 | C3 | 179.8° | 179.7° |
| N2 | C5 | C4 | H6 | 0.2° | 0.2° |
| N2 | C5 | C19 | H25 | 0.4° | 0.3° |
| C5 | C19 | C20 | H25 | 180.0° | 179.7° |
| C19 | C5 | C4 | C3 | 0.7° | 0.0° |
| C5 | C19 | C20 | C2 | 0.0° | 0.5° |
| C19 | C5 | C4 | H6 | 179.3° | 179.9° |
| C19 | C5 | N2 | H7 | 148.6° | 146.8° |
| C5 | C19 | C20 | H26 | 180.0° | 179.9° |
| C4 | C5 | C19 | C20 | 0.9° | 0.2° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H5 | 179.6° | 180.0° |
| C4 | C5 | N2 | H7 | 30.9° | 33.5° |
| C4 | C5 | C19 | H25 | 179.1° | 180.0° |
| C19 | C20 | C2 | H26 | 180.0° | 179.6° |
| C19 | C20 | C2 | C3 | 1.1° | 0.5° |
| C19 | C20 | C2 | C1 | 180.0° | 179.8° |
| C4 | C3 | C2 | C20 | 1.3° | 0.3° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| C20 | C2 | C3 | C1 | 178.9° | 179.7° |
| C20 | C2 | C1 | N1 | 109.2° | 90.3° |
| C20 | C2 | C1 | H4 | 11.5° | 149.8° |
| C20 | C2 | C1 | H3 | 130.1° | 29.7° |
| C20 | C2 | C3 | H5 | 178.7° | 179.8° |
| C2 | C20 | C19 | H25 | 179.9° | 179.8° |
| C3 | C2 | C1 | N1 | 72.0° | 90.0° |
| C3 | C2 | C1 | H4 | 167.3° | 29.9° |
| C3 | C2 | C1 | H3 | 48.7° | 150.0° |
| C2 | C3 | C4 | H6 | 179.6° | 179.9° |
| C3 | C2 | C20 | H26 | 178.9° | 179.9° |
| C2 | C1 | N1 | H4 | 120.7° | 120.0° |
| C2 | C1 | N1 | H3 | 120.7° | 120.0° |
| C2 | C1 | N1 | H1 | 180.0° | 56.1° |
| C2 | C1 | N1 | H27 | 60.0° | 180.0° |
| C2 | C1 | H4 | H3 | 117.9° | 120.1° |
| C1 | C2 | C3 | H5 | 0.2° | 0.1° |
| C1 | C2 | C20 | H26 | 0.0° | 0.2° |
| C1 | N1 | H1 | H27 | 120.0° | 123.9° |
| N1 | C1 | H4 | H3 | 117.9° | 120.0° |
| H1 | N1 | C1 | H4 | 59.3° | 176.0° |
| H1 | N1 | C1 | H3 | 59.3° | 63.9° |
| H27 | N1 | C1 | H4 | 179.3° | 60.0° |
| H27 | N1 | C1 | H3 | 60.7° | 60.0° |
| H5 | C3 | C4 | H6 | 0.4° | 0.0° |
| H9 | C7 | C8 | H11 | 6.5° | NaN° |
| H9 | C7 | C8 | H10 | 125.2° | 60.0° |
| H8 | C7 | C8 | H11 | 112.1° | 60.0° |
| H8 | C7 | C8 | H10 | 6.6° | 180.0° |
| H11 | C8 | C9 | H12 | 79.9° | 180.0° |
| H11 | C8 | C9 | H13 | 161.5° | 60.0° |
| H10 | C8 | C9 | H12 | 161.4° | 60.0° |
| H10 | C8 | C9 | H13 | 42.8° | 180.0° |
| H12 | C9 | C10 | H15 | 40.5° | 180.0° |
| H12 | C9 | C10 | H14 | 78.8° | 60.0° |
| H13 | C9 | C10 | H15 | 78.1° | 60.0° |
| H13 | C9 | C10 | H14 | 162.6° | 180.0° |
| H15 | C10 | O2 | H16 | 59.7° | 60.0° |
| H14 | C10 | O2 | H16 | 59.7° | 60.0° |
| H19 | C13 | C14 | H20 | 1.7° | 0.0° |
| H21 | N4 | O4 | H22 | 162.7° | 0.1° |
| H23 | C17 | C18 | H24 | 1.6° | 0.0° |
| H25 | C19 | C20 | H26 | 0.0° | 0.2° |
