N0G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C10 | doub | 1.46Å | 1.45Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | O1 | sing | 1.36Å | 1.35Å | |
| C10 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | N1 | doub | 1.31Å | 1.29Å | |
| N1 | C12 | sing | 1.36Å | 1.42Å | |
| C17 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.47Å | 1.50Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | O2 | doub | 1.22Å | 1.23Å | |
| C18 | N2 | sing | 1.35Å | 1.35Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N2 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C26 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.0° | 121.0° |
| C3 | C4 | C5 | 120.9° | 119.6° |
| C3 | C4 | H2 | 119.5° | 120.2° |
| C4 | C3 | H15 | 120.0° | 119.5° |
| C3 | C2 | C1 | 120.5° | 120.9° |
| C3 | C2 | H14 | 119.8° | 119.5° |
| C2 | C3 | H15 | 120.0° | 119.5° |
| C4 | C5 | C7 | 121.1° | 121.2° |
| C4 | C5 | C6 | 119.6° | 119.2° |
| C5 | C4 | H2 | 119.5° | 120.2° |
| C2 | C1 | C6 | 121.5° | 119.6° |
| C2 | C1 | H13 | 119.2° | 120.2° |
| C1 | C2 | H14 | 119.7° | 119.6° |
| C7 | C5 | C6 | 119.3° | 119.5° |
| C5 | C7 | C8 | 121.5° | 120.9° |
| C5 | C7 | H3 | 119.3° | 119.5° |
| C5 | C6 | C1 | 117.5° | 119.6° |
| C5 | C6 | C10 | 118.9° | 118.9° |
| C7 | C8 | C9 | 120.4° | 121.8° |
| C8 | C7 | H3 | 119.2° | 119.6° |
| C7 | C8 | H4 | 119.8° | 119.1° |
| C1 | C6 | C10 | 123.6° | 121.5° |
| C6 | C1 | H13 | 119.2° | 120.1° |
| C6 | C10 | C9 | 118.7° | 118.5° |
| C6 | C10 | C11 | 121.9° | 120.7° |
| C8 | C9 | C10 | 121.2° | 120.4° |
| C8 | C9 | O1 | 115.8° | 119.8° |
| C9 | C8 | H4 | 119.8° | 119.1° |
| C10 | C9 | O1 | 123.1° | 119.8° |
| C9 | C10 | C11 | 119.4° | 120.8° |
| C9 | O1 | H16 | 109.5° | 114.0° |
| C10 | C11 | N1 | 123.9° | 120.1° |
| C10 | C11 | H17 | 118.0° | 120.0° |
| C11 | N1 | C12 | 122.3° | 119.9° |
| N1 | C11 | H17 | 118.1° | 120.0° |
| N1 | C12 | C17 | 122.4° | 120.3° |
| N1 | C12 | C13 | 118.2° | 120.2° |
| C12 | C17 | C16 | 120.4° | 120.0° |
| C17 | C12 | C13 | 119.4° | 119.5° |
| C12 | C17 | H6 | 119.8° | 120.0° |
| C17 | C16 | C15 | 120.4° | 120.5° |
| C16 | C17 | H6 | 119.8° | 120.0° |
| C17 | C16 | H20 | 119.8° | 119.7° |
| C12 | C13 | C18 | 121.6° | 120.2° |
| C12 | C13 | C14 | 119.2° | 119.5° |
| C16 | C15 | C14 | 119.8° | 120.5° |
| C16 | C15 | H5 | 120.1° | 119.7° |
| C15 | C16 | H20 | 119.8° | 119.8° |
| C18 | C13 | C14 | 119.3° | 120.3° |
| C13 | C18 | O2 | 121.0° | 120.0° |
| C13 | C18 | N2 | 115.3° | 119.9° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C13 | C14 | H19 | 119.6° | 120.0° |
| C14 | C15 | H5 | 120.1° | 119.7° |
| C15 | C14 | H19 | 119.6° | 120.0° |
| O2 | C18 | N2 | 123.7° | 120.0° |
| C18 | N2 | C19 | 125.3° | 119.9° |
| C18 | N2 | H21 | 117.4° | 120.0° |
| C21 | C19 | N2 | 111.8° | 109.5° |
| C21 | C19 | C20 | 112.0° | 109.5° |
| C19 | C21 | H7 | 109.5° | 109.5° |
| C19 | C21 | H8 | 109.5° | 109.5° |
| C19 | C21 | H9 | 109.5° | 109.5° |
| C21 | C19 | H22 | 107.2° | 109.4° |
| N2 | C19 | C20 | 110.2° | 109.5° |
| C19 | N2 | H21 | 117.3° | 120.0° |
| N2 | C19 | H22 | 108.0° | 109.5° |
| C19 | C20 | C26 | 120.9° | 120.0° |
| C19 | C20 | C22 | 120.6° | 120.0° |
| C20 | C19 | H22 | 107.3° | 109.5° |
| C20 | C26 | C25 | 120.6° | 120.0° |
| C26 | C20 | C22 | 118.5° | 120.0° |
| C20 | C26 | H12 | 119.7° | 119.9° |
| C26 | C25 | C24 | 120.3° | 120.0° |
| C25 | C26 | H12 | 119.7° | 120.0° |
| C26 | C25 | H24 | 119.9° | 120.0° |
| C20 | C22 | C23 | 120.8° | 120.0° |
| C20 | C22 | H10 | 119.6° | 120.0° |
| C25 | C24 | C23 | 119.8° | 120.0° |
| C25 | C24 | H11 | 120.1° | 120.0° |
| C24 | C25 | H24 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C23 | C22 | H10 | 119.6° | 120.1° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | H11 | 120.1° | 119.9° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H7 | C21 | H9 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H15 | 180.0° | 179.6° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.2° | 0.4° |
| C3 | C4 | C5 | C7 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.2° |
| C4 | C3 | C2 | H14 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C2 | C3 | C4 | H2 | 179.8° | 179.8° |
| C3 | C2 | C1 | H13 | 179.7° | 179.8° |
| C4 | C5 | C7 | C6 | 179.8° | 179.9° |
| C4 | C5 | C7 | C8 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | C10 | 179.8° | 180.0° |
| C4 | C5 | C7 | H3 | 0.1° | 0.1° |
| C5 | C4 | C3 | H15 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H13 | 180.0° | 179.9° |
| C2 | C1 | C6 | C10 | 179.4° | 179.9° |
| C1 | C2 | C3 | H15 | 179.8° | 180.0° |
| C5 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C5 | C6 | C1 | 179.9° | 179.9° |
| C7 | C5 | C6 | C10 | 0.3° | 0.0° |
| C5 | C7 | C8 | C9 | 0.2° | 0.0° |
| C7 | C5 | C4 | H2 | 0.2° | 0.1° |
| C5 | C7 | C8 | H4 | 179.8° | 180.0° |
| C6 | C5 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C1 | C10 | 179.6° | 180.0° |
| C5 | C6 | C10 | C9 | 0.8° | 0.0° |
| C5 | C6 | C10 | C11 | 178.7° | 180.0° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| C6 | C5 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C1 | H13 | 179.9° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| C7 | C8 | C9 | O1 | 179.7° | 180.0° |
| C1 | C6 | C10 | C9 | 179.6° | 180.0° |
| C1 | C6 | C10 | C11 | 1.7° | 0.0° |
| C6 | C1 | C2 | H14 | 179.7° | 180.0° |
| C6 | C10 | C9 | C8 | 1.0° | 0.0° |
| C6 | C10 | C9 | C11 | 177.9° | 180.0° |
| C6 | C10 | C9 | O1 | 179.4° | 180.0° |
| C6 | C10 | C11 | N1 | 106.9° | 56.6° |
| C10 | C6 | C1 | H13 | 0.6° | 0.0° |
| C6 | C10 | C11 | H17 | 73.1° | 123.4° |
| C8 | C9 | C10 | O1 | 179.6° | 180.0° |
| C8 | C9 | C10 | C11 | 179.0° | 180.0° |
| C9 | C8 | C7 | H3 | 179.8° | 179.9° |
| C8 | C9 | O1 | H16 | 180.0° | 84.8° |
| C9 | C10 | C11 | N1 | 75.3° | 123.4° |
| C10 | C9 | C8 | H4 | 179.3° | 180.0° |
| C10 | C9 | O1 | H16 | 0.4° | 95.2° |
| C9 | C10 | C11 | H17 | 104.7° | 56.6° |
| O1 | C9 | C10 | C11 | 1.5° | 0.0° |
| O1 | C9 | C8 | H4 | 0.3° | 0.0° |
| C10 | C11 | N1 | H17 | 180.0° | 180.0° |
| C10 | C11 | N1 | C12 | 53.6° | 7.1° |
| C11 | N1 | C12 | C17 | 75.4° | 48.8° |
| C11 | N1 | C12 | C13 | 104.7° | 131.1° |
| N1 | C12 | C17 | C13 | 179.9° | 179.9° |
| N1 | C12 | C17 | C16 | 180.0° | 180.0° |
| N1 | C12 | C13 | C18 | 0.8° | 0.1° |
| N1 | C12 | C13 | C14 | 179.5° | 179.7° |
| N1 | C12 | C17 | H6 | 0.0° | 0.1° |
| C12 | N1 | C11 | H17 | 126.3° | 172.9° |
| C12 | C17 | C16 | H6 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.4° | 0.2° |
| C17 | C12 | C13 | C18 | 179.1° | 180.0° |
| C17 | C12 | C13 | C14 | 0.5° | 0.4° |
| C12 | C17 | C16 | H20 | 179.6° | 180.0° |
| C16 | C17 | C12 | C13 | 0.1° | 0.1° |
| C17 | C16 | C15 | H20 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C17 | C16 | C15 | H5 | 179.9° | 179.8° |
| C12 | C13 | C18 | C14 | 178.6° | 179.7° |
| C12 | C13 | C14 | C15 | 0.7° | 0.3° |
| C12 | C13 | C18 | O2 | 112.6° | 0.3° |
| C12 | C13 | C18 | N2 | 66.3° | 179.7° |
| C13 | C12 | C17 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | H19 | 179.3° | 179.7° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C16 | C17 | H6 | 179.6° | 179.7° |
| C16 | C15 | C14 | H19 | 179.6° | 180.0° |
| C18 | C13 | C14 | C15 | 179.4° | 180.0° |
| C13 | C18 | O2 | N2 | 178.8° | 179.9° |
| C13 | C18 | N2 | C19 | 151.2° | 180.0° |
| C18 | C13 | C14 | H19 | 0.6° | 0.1° |
| C13 | C18 | N2 | H21 | 28.8° | 0.0° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C14 | C13 | C18 | O2 | 68.7° | 180.0° |
| C14 | C13 | C18 | N2 | 112.3° | 0.1° |
| C13 | C14 | C15 | H5 | 179.6° | 179.9° |
| C14 | C15 | C16 | H20 | 179.9° | 180.0° |
| O2 | C18 | N2 | C19 | 27.7° | 0.0° |
| O2 | C18 | N2 | H21 | 152.3° | 180.0° |
| C18 | N2 | C19 | C21 | 16.1° | 85.0° |
| C18 | N2 | C19 | H21 | 180.0° | 180.0° |
| C18 | N2 | C19 | C20 | 141.4° | 155.0° |
| C18 | N2 | C19 | H22 | 101.7° | 35.0° |
| C21 | C19 | N2 | C20 | 125.3° | 120.0° |
| C21 | C19 | N2 | H22 | 117.8° | 120.0° |
| C21 | C19 | C20 | H22 | 117.5° | 120.0° |
| C21 | C19 | C20 | C26 | 90.8° | 79.7° |
| C21 | C19 | C20 | C22 | 89.9° | 100.0° |
| C19 | C21 | H7 | H8 | 120.0° | 120.1° |
| C19 | C21 | H7 | H9 | 120.0° | 120.1° |
| C19 | C21 | H8 | H9 | 120.0° | 120.0° |
| C21 | C19 | N2 | H21 | 163.9° | 95.0° |
| N2 | C19 | C20 | H22 | 117.4° | 120.0° |
| N2 | C19 | C20 | C26 | 144.0° | 40.3° |
| N2 | C19 | C20 | C22 | 35.3° | 140.0° |
| N2 | C19 | C21 | H7 | 180.0° | 180.0° |
| N2 | C19 | C21 | H8 | 60.0° | 60.0° |
| N2 | C19 | C21 | H9 | 60.0° | 60.0° |
| C19 | C20 | C26 | C22 | 179.3° | 179.8° |
| C19 | C20 | C26 | C25 | 179.6° | 179.7° |
| C19 | C20 | C22 | C23 | 179.5° | 179.8° |
| C20 | C19 | C21 | H7 | 55.7° | 60.0° |
| C20 | C19 | C21 | H8 | 175.7° | 180.0° |
| C20 | C19 | C21 | H9 | 64.3° | 60.0° |
| C19 | C20 | C22 | H10 | 0.5° | 0.3° |
| C19 | C20 | C26 | H12 | 0.4° | 0.3° |
| C20 | C19 | N2 | H21 | 38.6° | 25.0° |
| C20 | C26 | C25 | H12 | 180.0° | 180.0° |
| C20 | C26 | C25 | C24 | 0.2° | 0.0° |
| C26 | C20 | C22 | C23 | 0.2° | 0.0° |
| C26 | C20 | C22 | H10 | 179.8° | 180.0° |
| C26 | C20 | C19 | H22 | 26.6° | 160.3° |
| C20 | C26 | C25 | H24 | 179.8° | 180.0° |
| C25 | C26 | C20 | C22 | 0.3° | 0.0° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H11 | 179.8° | 180.0° |
| C20 | C22 | C23 | H10 | 180.0° | 180.0° |
| C20 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C20 | C26 | H12 | 179.7° | 180.0° |
| C22 | C20 | C19 | H22 | 152.6° | 20.0° |
| C20 | C22 | C23 | H23 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.1° |
| C25 | C24 | C23 | H11 | 180.0° | 180.0° |
| C24 | C25 | C26 | H12 | 179.8° | 180.0° |
| C25 | C24 | C23 | H23 | 179.7° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | H11 | 179.7° | 179.9° |
| C24 | C23 | C22 | H10 | 179.9° | 180.0° |
| C23 | C24 | C25 | H24 | 179.9° | 179.9° |
| H2 | C4 | C3 | H15 | 0.2° | 0.3° |
| H3 | C7 | C8 | H4 | 0.2° | 0.1° |
| H5 | C15 | C14 | H19 | 0.4° | 0.0° |
| H5 | C15 | C16 | H20 | 0.1° | 0.0° |
| H6 | C17 | C16 | H20 | 0.4° | 0.1° |
| H7 | C21 | H8 | H9 | 120.0° | 119.9° |
| H7 | C21 | C19 | H22 | 61.8° | 60.0° |
| H8 | C21 | C19 | H22 | 58.2° | 60.0° |
| H9 | C21 | C19 | H22 | 178.2° | 180.0° |
| H10 | C22 | C23 | H23 | 0.1° | 0.0° |
| H11 | C24 | C23 | H23 | 0.3° | 0.0° |
| H11 | C24 | C25 | H24 | 0.2° | 0.1° |
| H12 | C26 | C25 | H24 | 0.2° | 0.0° |
| H13 | C1 | C2 | H14 | 0.4° | 0.1° |
| H14 | C2 | C3 | H15 | 0.2° | 0.2° |
| H21 | N2 | C19 | H22 | 78.3° | 145.1° |
