NN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C7 | sing | 1.36Å | 1.37Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C23 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N2 | sing | 1.47Å | 1.46Å | |
| O4 | C19 | sing | 1.36Å | 1.36Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C15 | sing | 1.35Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.47Å | 1.50Å | |
| C16 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | O3 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | O5 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| O5 | H18 | sing | 0.97Å | 0.95Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 116.9° | 117.0° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C2 | C3 | 124.5° | 120.2° |
| O1 | C2 | C7 | 116.3° | 120.2° |
| C3 | C2 | C7 | 119.2° | 119.6° |
| C2 | C3 | C4 | 121.6° | 120.7° |
| C2 | C3 | H4 | 119.2° | 119.7° |
| C2 | C7 | O2 | 116.4° | 120.2° |
| C2 | C7 | C6 | 119.1° | 119.6° |
| C3 | C4 | C23 | 119.6° | 117.5° |
| C3 | C4 | C5 | 119.2° | 119.6° |
| C4 | C3 | H4 | 119.2° | 119.7° |
| C7 | O2 | C8 | 117.0° | 117.0° |
| O2 | C7 | C6 | 124.5° | 120.2° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.4° | 109.5° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| C7 | C6 | C5 | 121.6° | 120.5° |
| C7 | C6 | H5 | 119.2° | 119.8° |
| C23 | C4 | C5 | 121.2° | 122.9° |
| C4 | C23 | C22 | 111.6° | 110.9° |
| C4 | C23 | H21 | 108.9° | 109.2° |
| C4 | C23 | H22 | 109.0° | 109.2° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | C9 | 122.0° | 122.3° |
| C23 | C22 | N2 | 109.7° | 107.8° |
| C23 | C22 | H20 | 109.4° | 109.8° |
| C23 | C22 | H19 | 109.4° | 109.9° |
| C22 | C23 | H21 | 108.9° | 109.2° |
| C22 | C23 | H22 | 108.9° | 109.2° |
| C6 | C5 | C9 | 118.8° | 117.7° |
| C5 | C6 | H5 | 119.2° | 119.7° |
| C5 | C9 | N2 | 111.6° | 109.7° |
| C5 | C9 | C10 | 113.6° | 109.4° |
| C5 | C9 | H9 | 106.2° | 109.4° |
| C17 | C18 | C19 | 119.9° | 120.2° |
| C18 | C17 | C16 | 120.8° | 119.9° |
| C18 | C17 | H14 | 119.6° | 120.0° |
| C17 | C18 | H15 | 120.0° | 119.9° |
| C18 | C19 | O4 | 120.0° | 119.9° |
| C18 | C19 | C20 | 120.4° | 120.3° |
| C19 | C18 | H15 | 120.0° | 119.9° |
| C17 | C16 | C15 | 119.5° | 120.1° |
| C17 | C16 | C21 | 118.8° | 119.7° |
| C16 | C17 | H14 | 119.6° | 120.0° |
| C22 | N2 | C9 | 114.0° | 117.3° |
| C22 | N2 | C15 | 123.7° | 121.3° |
| N2 | C22 | H20 | 109.4° | 109.7° |
| N2 | C22 | H19 | 109.4° | 109.8° |
| O4 | C19 | C20 | 119.6° | 119.8° |
| C19 | O4 | H16 | 109.5° | 114.1° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H17 | 120.1° | 120.0° |
| C9 | N2 | C15 | 122.4° | 121.3° |
| N2 | C9 | C10 | 112.2° | 109.5° |
| N2 | C9 | H9 | 106.6° | 109.4° |
| N2 | C15 | C16 | 118.3° | 120.0° |
| N2 | C15 | O3 | 122.3° | 120.0° |
| C9 | C10 | C11 | 121.8° | 120.4° |
| C9 | C10 | C14 | 120.6° | 120.4° |
| C10 | C9 | H9 | 106.0° | 109.5° |
| C15 | C16 | C21 | 121.7° | 120.2° |
| C16 | C15 | O3 | 119.4° | 120.0° |
| C16 | C21 | C20 | 120.3° | 119.8° |
| C16 | C21 | O5 | 121.5° | 120.1° |
| C10 | C11 | C12 | 119.7° | 118.4° |
| C11 | C10 | C14 | 117.6° | 119.2° |
| C10 | C11 | H10 | 120.1° | 120.8° |
| C11 | C12 | C13 | 118.3° | 119.2° |
| C12 | C11 | H10 | 120.1° | 120.8° |
| C11 | C12 | H11 | 120.9° | 120.4° |
| C10 | C14 | N1 | 123.4° | 120.7° |
| C10 | C14 | H13 | 118.3° | 119.6° |
| C20 | C21 | O5 | 118.2° | 120.1° |
| C21 | C20 | H17 | 120.1° | 120.0° |
| C21 | O5 | H18 | 109.5° | 114.0° |
| C12 | C13 | N1 | 123.6° | 120.7° |
| C13 | C12 | H11 | 120.9° | 120.4° |
| C12 | C13 | H12 | 118.2° | 119.6° |
| C14 | N1 | C13 | 117.4° | 121.8° |
| N1 | C14 | H13 | 118.3° | 119.7° |
| N1 | C13 | H12 | 118.2° | 119.7° |
| H8 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H7 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H20 | C22 | H19 | 109.4° | 109.8° |
| H21 | C23 | H22 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 12.3° | 0.0° |
| C1 | O1 | C2 | C7 | 167.7° | 179.7° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C2 | C3 | C7 | 180.0° | 179.7° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| O1 | C2 | C7 | O2 | 0.0° | 0.1° |
| O1 | C2 | C7 | C6 | 180.0° | 180.0° |
| O1 | C2 | C3 | H4 | 0.1° | 0.1° |
| C2 | O1 | C1 | H3 | 180.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C7 | O2 | 180.0° | 179.6° |
| C3 | C2 | C7 | C6 | 0.0° | 0.3° |
| C2 | C3 | C4 | C23 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.4° |
| C2 | C7 | O2 | C6 | 180.0° | 179.9° |
| C2 | C7 | O2 | C8 | 163.7° | 179.9° |
| C2 | C7 | C6 | C5 | 0.1° | 0.1° |
| C2 | C7 | C6 | H5 | 179.9° | 180.0° |
| C7 | C2 | C3 | H4 | 179.9° | 179.8° |
| C3 | C4 | C23 | C5 | 179.8° | 179.7° |
| C3 | C4 | C23 | C22 | 161.7° | 160.5° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | C9 | 180.0° | 179.4° |
| C3 | C4 | C23 | H21 | 77.9° | 79.1° |
| C3 | C4 | C23 | H22 | 41.4° | 40.2° |
| O2 | C7 | C6 | C5 | 180.0° | 180.0° |
| O2 | C7 | C6 | H5 | 0.0° | 0.1° |
| C7 | O2 | C8 | H8 | 180.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| C7 | O2 | C8 | H7 | 60.0° | 180.0° |
| C8 | O2 | C7 | C6 | 16.4° | 0.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H7 | 120.0° | 120.1° |
| O2 | C8 | H6 | H7 | 120.0° | 120.1° |
| C7 | C6 | C5 | C4 | 0.1° | 0.4° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C9 | 180.0° | 179.4° |
| C4 | C23 | C22 | H21 | 120.3° | 120.4° |
| C4 | C23 | C22 | H22 | 120.3° | 120.3° |
| C23 | C4 | C5 | C6 | 180.0° | 179.3° |
| C23 | C4 | C5 | C9 | 0.2° | 0.9° |
| C4 | C23 | C22 | N2 | 48.6° | 47.5° |
| C23 | C4 | C3 | H4 | 0.0° | 0.4° |
| C4 | C23 | C22 | H20 | 168.7° | 72.1° |
| C4 | C23 | C22 | H19 | 71.4° | 167.1° |
| C4 | C23 | H21 | H22 | 119.0° | 119.3° |
| C5 | C4 | C23 | C22 | 18.4° | 19.9° |
| C4 | C5 | C6 | C9 | 179.8° | 179.8° |
| C4 | C5 | C9 | N2 | 12.4° | 11.1° |
| C4 | C5 | C9 | C10 | 115.8° | 108.9° |
| C4 | C5 | C6 | H5 | 179.9° | 179.7° |
| C4 | C5 | C9 | H9 | 128.2° | 131.2° |
| C5 | C4 | C3 | H4 | 179.9° | 179.9° |
| C5 | C4 | C23 | H21 | 101.9° | 100.6° |
| C5 | C4 | C23 | H22 | 138.8° | 140.2° |
| C23 | C22 | N2 | H20 | 120.1° | 119.6° |
| C23 | C22 | N2 | H19 | 120.0° | 119.7° |
| C23 | C22 | N2 | C9 | 64.8° | 64.4° |
| C23 | C22 | N2 | C15 | 115.2° | 115.7° |
| C23 | C22 | H20 | H19 | 119.9° | 120.9° |
| C22 | C23 | H21 | H22 | 119.0° | 119.3° |
| C6 | C5 | C9 | N2 | 167.8° | 169.1° |
| C6 | C5 | C9 | C10 | 64.1° | 70.9° |
| C6 | C5 | C9 | H9 | 52.0° | 49.0° |
| C5 | C9 | N2 | C22 | 44.9° | 44.4° |
| C5 | C9 | N2 | C10 | 128.9° | 120.0° |
| C5 | C9 | N2 | H9 | 115.5° | 120.0° |
| C5 | C9 | N2 | C15 | 135.0° | 135.7° |
| C5 | C9 | C10 | H9 | 116.2° | 119.9° |
| C5 | C9 | C10 | C11 | 37.1° | 58.5° |
| C5 | C9 | C10 | C14 | 142.9° | 121.6° |
| C9 | C5 | C6 | H5 | 0.0° | 0.5° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | H14 | 180.0° | 179.9° |
| C17 | C18 | C19 | O4 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C16 | C15 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 0.1° | 0.2° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | O4 | C20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.2° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | O4 | H16 | 180.0° | 90.0° |
| C18 | C19 | C20 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | N2 | 48.5° | 58.1° |
| C17 | C16 | C15 | C21 | 179.9° | 179.8° |
| C17 | C16 | C15 | O3 | 131.5° | 122.1° |
| C17 | C16 | C21 | C20 | 0.1° | 0.5° |
| C17 | C16 | C21 | O5 | 180.0° | 179.7° |
| C16 | C17 | C18 | H15 | 179.9° | 180.0° |
| C22 | N2 | C9 | C15 | 180.0° | 179.9° |
| C22 | N2 | C9 | C10 | 83.9° | 75.7° |
| C22 | N2 | C15 | C16 | 2.5° | 174.9° |
| C22 | N2 | C15 | O3 | 177.5° | 5.0° |
| C22 | N2 | C9 | H9 | 160.5° | 164.4° |
| N2 | C22 | H20 | H19 | 119.9° | 120.7° |
| N2 | C22 | C23 | H21 | 71.7° | 72.9° |
| N2 | C22 | C23 | H22 | 169.0° | 167.8° |
| O4 | C19 | C20 | C21 | 180.0° | 179.7° |
| O4 | C19 | C18 | H15 | 0.0° | 0.1° |
| O4 | C19 | C20 | H17 | 0.0° | 0.1° |
| C19 | C20 | C21 | C16 | 0.1° | 0.5° |
| C19 | C20 | C21 | H17 | 180.0° | 179.8° |
| C19 | C20 | C21 | O5 | 180.0° | 179.8° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | O4 | H16 | 0.0° | 89.9° |
| N2 | C9 | C10 | H9 | 116.0° | 119.9° |
| C9 | N2 | C15 | C16 | 177.4° | 5.2° |
| C9 | N2 | C15 | O3 | 2.6° | 174.9° |
| N2 | C9 | C10 | C11 | 90.6° | 61.7° |
| N2 | C9 | C10 | C14 | 89.4° | 118.2° |
| C9 | N2 | C22 | H20 | 175.2° | 55.2° |
| C9 | N2 | C22 | H19 | 55.3° | 175.9° |
| C15 | N2 | C9 | C10 | 96.1° | 104.3° |
| N2 | C15 | C16 | O3 | 180.0° | 179.9° |
| N2 | C15 | C16 | C21 | 131.6° | 121.7° |
| C15 | N2 | C9 | H9 | 19.5° | 15.7° |
| C15 | N2 | C22 | H20 | 4.9° | 124.7° |
| C15 | N2 | C22 | H19 | 124.8° | 4.0° |
| C9 | C10 | C11 | C14 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 180.0° | 179.9° |
| C9 | C10 | C14 | N1 | 180.0° | 179.9° |
| C9 | C10 | C14 | H13 | 0.1° | 0.4° |
| C9 | C10 | C11 | H10 | 0.0° | 0.1° |
| C15 | C16 | C21 | C20 | 180.0° | 179.7° |
| C15 | C16 | C21 | O5 | 0.0° | 0.0° |
| C15 | C16 | C17 | H14 | 0.0° | 0.0° |
| C21 | C16 | C15 | O3 | 48.4° | 58.2° |
| C16 | C21 | C20 | O5 | 180.0° | 179.8° |
| C21 | C16 | C17 | H14 | 179.9° | 179.8° |
| C16 | C21 | C20 | H17 | 179.9° | 179.7° |
| C16 | C21 | O5 | H18 | 16.2° | 90.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.2° |
| C11 | C10 | C14 | N1 | 0.0° | 0.1° |
| C11 | C10 | C14 | H13 | 179.9° | 179.7° |
| C11 | C10 | C9 | H9 | 153.3° | 178.3° |
| C10 | C11 | C12 | H11 | 179.9° | 180.0° |
| C12 | C11 | C10 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.8° |
| C11 | C12 | C13 | N1 | 0.0° | 0.4° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C10 | C14 | N1 | H13 | 180.0° | 179.7° |
| C10 | C14 | N1 | C13 | 0.0° | 0.3° |
| C14 | C10 | C11 | H10 | 180.0° | 179.9° |
| C14 | C10 | C9 | H9 | 26.7° | 1.8° |
| C20 | C21 | O5 | H18 | 163.8° | 89.7° |
| O5 | C21 | C20 | H17 | 0.0° | 0.0° |
| C12 | C13 | N1 | C14 | 0.0° | 0.5° |
| C12 | C13 | N1 | H12 | 180.0° | 179.6° |
| C13 | C12 | C11 | H10 | 180.0° | 179.8° |
| C14 | N1 | C13 | H12 | 180.0° | 180.0° |
| C13 | N1 | C14 | H13 | 180.0° | 180.0° |
| N1 | C13 | C12 | H11 | 180.0° | 179.7° |
| H10 | C11 | C12 | H11 | 0.1° | 0.1° |
| H8 | C8 | H6 | H7 | 120.0° | 119.9° |
| H11 | C12 | C13 | H12 | 0.0° | 0.2° |
| H3 | C1 | H1 | H2 | 120.0° | 119.9° |
| H14 | C17 | C18 | H15 | 0.0° | 0.0° |
| H20 | C22 | C23 | H21 | 48.4° | 167.5° |
| H20 | C22 | C23 | H22 | 70.9° | 48.2° |
| H19 | C22 | C23 | H21 | 168.3° | 46.7° |
| H19 | C22 | C23 | H22 | 48.9° | 72.6° |
