0T7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | N4 | doub | 1.34Å | 1.35Å | Aromatic |
| C16 | N4 | sing | 1.31Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| O1 | C15 | sing | 1.43Å | 1.43Å | |
| O1 | C10 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C7 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | N2 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | N3 | sing | 1.36Å | 1.41Å | Aromatic |
| N2 | C4 | sing | 1.34Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C13 | doub | 1.31Å | 1.30Å | Aromatic |
| N1 | C5 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C5 | C25 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 119.7° | 119.7° |
| C20 | C21 | C22 | 120.0° | 120.9° |
| C21 | C20 | H18 | 120.1° | 120.2° |
| C20 | C21 | H19 | 120.0° | 119.6° |
| C20 | C19 | C18 | 121.5° | 121.4° |
| C20 | C19 | C24 | 120.5° | 119.6° |
| C19 | C20 | H18 | 120.2° | 120.1° |
| C19 | C18 | C17 | 120.4° | 118.2° |
| C18 | C19 | C24 | 118.1° | 119.0° |
| C19 | C18 | H17 | 119.8° | 121.0° |
| C18 | C17 | C16 | 118.0° | 119.9° |
| C18 | C17 | H16 | 121.0° | 120.0° |
| C17 | C18 | H17 | 119.8° | 120.9° |
| C21 | C22 | C23 | 120.4° | 121.0° |
| C22 | C21 | H19 | 120.0° | 119.5° |
| C21 | C22 | H20 | 119.8° | 119.5° |
| C19 | C24 | C23 | 118.5° | 119.1° |
| C19 | C24 | N4 | 121.5° | 119.8° |
| C17 | C16 | N4 | 123.0° | 121.8° |
| C17 | C16 | C15 | 120.2° | 119.1° |
| C16 | C17 | H16 | 121.0° | 120.1° |
| C22 | C23 | C24 | 120.9° | 119.8° |
| C23 | C22 | H20 | 119.8° | 119.5° |
| C22 | C23 | H21 | 119.6° | 120.0° |
| C23 | C24 | N4 | 120.0° | 121.1° |
| C24 | C23 | H21 | 119.5° | 120.2° |
| C24 | N4 | C16 | 119.1° | 121.3° |
| N4 | C16 | C15 | 116.8° | 119.1° |
| C16 | C15 | O1 | 105.7° | 109.5° |
| C16 | C15 | H14 | 110.4° | 109.4° |
| C16 | C15 | H15 | 110.4° | 109.5° |
| C15 | O1 | C10 | 121.0° | 117.0° |
| O1 | C15 | H14 | 110.4° | 109.4° |
| O1 | C15 | H15 | 110.4° | 109.5° |
| O1 | C10 | C9 | 113.7° | 119.8° |
| O1 | C10 | C11 | 127.6° | 119.9° |
| C10 | C9 | C8 | 121.3° | 120.3° |
| C9 | C10 | C11 | 118.6° | 120.3° |
| C10 | C9 | H9 | 119.4° | 119.8° |
| C9 | C8 | C7 | 120.6° | 120.0° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | H9 | 119.4° | 119.8° |
| C10 | C11 | C12 | 120.7° | 119.9° |
| C10 | C11 | H10 | 119.6° | 120.0° |
| C8 | C7 | C12 | 118.5° | 120.0° |
| C8 | C7 | N2 | 125.0° | 120.9° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C3 | C2 | C1 | 113.8° | 109.5° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| C3 | C2 | H4 | 108.4° | 109.4° |
| C3 | C2 | H5 | 108.4° | 109.5° |
| C2 | C3 | H6 | 108.5° | 109.4° |
| C2 | C3 | H7 | 108.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.4° | 109.4° |
| C1 | C2 | H5 | 108.4° | 109.5° |
| C11 | C12 | C7 | 120.3° | 119.5° |
| C11 | C12 | N3 | 116.7° | 120.3° |
| C12 | C11 | H10 | 119.7° | 120.1° |
| C3 | C4 | N2 | 130.0° | 125.3° |
| C3 | C4 | N1 | 119.4° | 125.3° |
| C4 | C3 | H6 | 108.5° | 109.5° |
| C4 | C3 | H7 | 108.5° | 109.5° |
| C12 | C7 | N2 | 116.5° | 119.1° |
| C7 | C12 | N3 | 123.0° | 120.3° |
| C7 | N2 | C4 | 134.7° | 134.2° |
| C7 | N2 | C6 | 119.1° | 118.6° |
| C12 | N3 | C13 | 120.0° | 121.4° |
| C4 | N2 | C6 | 106.3° | 107.1° |
| N2 | C4 | N1 | 110.6° | 109.4° |
| N2 | C6 | C13 | 120.6° | 119.8° |
| N2 | C6 | C5 | 105.6° | 106.2° |
| C4 | N1 | C5 | 107.3° | 109.9° |
| N3 | C13 | C6 | 120.9° | 120.8° |
| N3 | C13 | C14 | 116.6° | 119.6° |
| N1 | C5 | C6 | 110.2° | 107.5° |
| N1 | C5 | C25 | 118.5° | 126.3° |
| C13 | C6 | C5 | 133.8° | 134.1° |
| C6 | C13 | C14 | 122.6° | 119.6° |
| C6 | C5 | C25 | 131.3° | 126.3° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.6° |
| C5 | C25 | H22 | 109.5° | 109.4° |
| C5 | C25 | H23 | 109.5° | 109.5° |
| C5 | C25 | H24 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H11 | C14 | H13 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H24 | 109.4° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H18 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.8° | 180.0° |
| C20 | C21 | C22 | H19 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 0.1° | 0.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H20 | 179.9° | 180.0° |
| C20 | C19 | C18 | C24 | 179.9° | 180.0° |
| C20 | C19 | C18 | C17 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.0° |
| C20 | C19 | C24 | N4 | 180.0° | 180.0° |
| C20 | C19 | C18 | H17 | 0.1° | 0.0° |
| C19 | C20 | C21 | H19 | 179.8° | 180.0° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C18 | C19 | C24 | C23 | 180.0° | 180.0° |
| C18 | C19 | C24 | N4 | 0.1° | 0.0° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H18 | 0.2° | 0.1° |
| C17 | C18 | C19 | C24 | 0.1° | 0.0° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C18 | C17 | C16 | N4 | 0.3° | 0.0° |
| C18 | C17 | C16 | C15 | 179.7° | 179.8° |
| C21 | C22 | C23 | H20 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | C20 | H18 | 179.8° | 180.0° |
| C21 | C22 | C23 | H21 | 179.8° | 179.9° |
| C19 | C24 | C23 | C22 | 0.3° | 0.0° |
| C19 | C24 | C23 | N4 | 179.9° | 180.0° |
| C19 | C24 | N4 | C16 | 0.1° | 0.0° |
| C24 | C19 | C18 | H17 | 179.8° | 180.0° |
| C24 | C19 | C20 | H18 | 179.9° | 180.0° |
| C19 | C24 | C23 | H21 | 179.7° | 179.9° |
| C17 | C16 | N4 | C24 | 0.3° | 0.0° |
| C17 | C16 | N4 | C15 | 179.4° | 179.7° |
| C17 | C16 | C15 | O1 | 95.3° | 0.2° |
| C17 | C16 | C15 | H14 | 145.3° | 119.7° |
| C17 | C16 | C15 | H15 | 24.1° | 120.3° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.9° |
| C22 | C23 | C24 | N4 | 179.9° | 180.0° |
| C23 | C22 | C21 | H19 | 179.9° | 180.0° |
| C23 | C24 | N4 | C16 | 179.7° | 180.0° |
| C24 | C23 | C22 | H20 | 179.8° | 180.0° |
| C24 | N4 | C16 | C15 | 179.8° | 179.7° |
| N4 | C24 | C23 | H21 | 0.2° | 0.1° |
| N4 | C16 | C15 | O1 | 84.2° | 180.0° |
| N4 | C16 | C15 | H14 | 35.2° | 60.0° |
| N4 | C16 | C15 | H15 | 156.4° | 60.0° |
| N4 | C16 | C17 | H16 | 179.7° | 180.0° |
| C16 | C15 | O1 | H14 | 119.4° | 120.0° |
| C16 | C15 | O1 | H15 | 119.4° | 120.0° |
| C16 | C15 | O1 | C10 | 154.2° | 180.0° |
| C16 | C15 | H14 | H15 | 121.7° | 120.0° |
| C15 | C16 | C17 | H16 | 0.3° | 0.3° |
| C15 | O1 | C10 | C9 | 148.3° | 0.0° |
| C15 | O1 | C10 | C11 | 32.3° | 180.0° |
| O1 | C15 | H14 | H15 | 121.7° | 120.0° |
| O1 | C10 | C9 | C11 | 179.4° | 180.0° |
| O1 | C10 | C9 | C8 | 179.8° | 180.0° |
| O1 | C10 | C11 | C12 | 179.7° | 180.0° |
| O1 | C10 | C9 | H9 | 0.3° | 0.0° |
| O1 | C10 | C11 | H10 | 0.3° | 0.0° |
| C10 | O1 | C15 | H14 | 34.7° | 60.0° |
| C10 | O1 | C15 | H15 | 86.5° | 60.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C10 | C9 | C8 | H8 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 179.6° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C12 | 0.2° | 0.0° |
| C9 | C8 | C7 | N2 | 179.9° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C7 | 0.3° | 0.1° |
| C10 | C11 | C12 | N3 | 179.9° | 180.0° |
| C11 | C10 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C12 | C11 | 0.2° | 0.0° |
| C8 | C7 | C12 | N2 | 179.9° | 180.0° |
| C8 | C7 | C12 | N3 | 180.0° | 180.0° |
| C8 | C7 | N2 | C4 | 0.1° | 0.0° |
| C8 | C7 | N2 | C6 | 179.9° | 179.9° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C3 | C2 | C1 | H4 | 120.6° | 120.0° |
| C3 | C2 | C1 | H5 | 120.6° | 120.1° |
| C2 | C3 | C4 | H6 | 120.6° | 120.0° |
| C2 | C3 | C4 | H7 | 120.6° | 120.0° |
| C2 | C3 | C4 | N2 | 61.9° | 82.8° |
| C2 | C3 | C4 | N1 | 117.8° | 97.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 59.9° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.1° | 120.0° |
| C2 | C3 | H6 | H7 | 118.2° | 120.0° |
| C1 | C2 | C3 | C4 | 46.7° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.0° | 120.0° |
| C1 | C2 | C3 | H6 | 167.3° | 60.1° |
| C1 | C2 | C3 | H7 | 73.9° | 60.0° |
| C11 | C12 | C7 | N3 | 179.8° | 180.0° |
| C11 | C12 | C7 | N2 | 179.8° | 179.9° |
| C11 | C12 | N3 | C13 | 180.0° | 179.8° |
| C3 | C4 | N2 | C7 | 0.2° | 0.0° |
| C3 | C4 | N2 | N1 | 179.7° | 179.8° |
| C3 | C4 | N2 | C6 | 179.8° | 179.9° |
| C3 | C4 | N1 | C5 | 179.9° | 180.0° |
| C4 | C3 | C2 | H4 | 167.4° | 60.0° |
| C4 | C3 | C2 | H5 | 73.9° | 60.0° |
| C4 | C3 | H6 | H7 | 118.2° | 120.0° |
| C12 | C7 | N2 | C4 | 180.0° | 180.0° |
| C12 | C7 | N2 | C6 | 0.0° | 0.1° |
| C7 | C12 | N3 | C13 | 0.2° | 0.3° |
| C12 | C7 | C8 | H8 | 179.8° | 180.0° |
| C7 | C12 | C11 | H10 | 179.7° | 179.9° |
| N2 | C7 | C12 | N3 | 0.1° | 0.0° |
| C7 | N2 | C4 | C6 | 180.0° | 179.9° |
| C7 | N2 | C4 | N1 | 179.9° | 179.8° |
| C7 | N2 | C6 | C13 | 0.0° | 0.1° |
| C7 | N2 | C6 | C5 | 180.0° | 179.8° |
| N2 | C7 | C8 | H8 | 0.1° | 0.0° |
| C12 | N3 | C13 | C6 | 0.2° | 0.5° |
| C12 | N3 | C13 | C14 | 179.8° | 179.9° |
| N3 | C12 | C11 | H10 | 0.1° | 0.0° |
| N2 | C4 | N1 | C5 | 0.2° | 0.2° |
| C4 | N2 | C6 | C13 | 180.0° | 179.8° |
| C4 | N2 | C6 | C5 | 0.0° | 0.3° |
| N2 | C4 | C3 | H6 | 58.7° | 37.1° |
| N2 | C4 | C3 | H7 | 177.5° | 157.2° |
| C6 | N2 | C4 | N1 | 0.1° | 0.3° |
| N2 | C6 | C13 | N3 | 0.1° | 0.4° |
| N2 | C6 | C5 | N1 | 0.1° | 0.3° |
| N2 | C6 | C13 | C5 | 180.0° | 179.8° |
| N2 | C6 | C13 | C14 | 179.9° | 179.8° |
| N2 | C6 | C5 | C25 | 179.8° | 179.8° |
| C4 | N1 | C5 | C6 | 0.2° | 0.1° |
| C4 | N1 | C5 | C25 | 179.7° | 180.0° |
| N1 | C4 | C3 | H6 | 121.6° | 143.1° |
| N1 | C4 | C3 | H7 | 2.9° | 23.1° |
| N3 | C13 | C6 | C14 | 180.0° | 179.4° |
| N3 | C13 | C6 | C5 | 179.8° | 179.4° |
| N3 | C13 | C14 | H11 | 0.0° | 115.6° |
| N3 | C13 | C14 | H12 | 120.0° | 4.3° |
| N3 | C13 | C14 | H13 | 120.0° | 124.4° |
| N1 | C5 | C6 | C13 | 179.9° | 180.0° |
| N1 | C5 | C6 | C25 | 179.9° | 179.9° |
| N1 | C5 | C25 | H22 | 0.0° | 96.1° |
| N1 | C5 | C25 | H23 | 120.0° | 144.0° |
| N1 | C5 | C25 | H24 | 120.0° | 24.0° |
| C13 | C6 | C5 | C25 | 0.3° | 0.0° |
| C6 | C13 | C14 | H11 | 180.0° | 63.8° |
| C6 | C13 | C14 | H12 | 60.0° | 176.3° |
| C6 | C13 | C14 | H13 | 60.0° | 56.2° |
| C5 | C6 | C13 | C14 | 0.1° | 0.0° |
| C6 | C5 | C25 | H22 | 179.9° | 84.0° |
| C6 | C5 | C25 | H23 | 60.1° | 35.9° |
| C6 | C5 | C25 | H24 | 59.9° | 155.9° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 120.1° |
| C13 | C14 | H12 | H13 | 120.0° | 120.1° |
| C5 | C25 | H22 | H23 | 120.0° | 119.9° |
| C5 | C25 | H22 | H24 | 120.0° | 120.1° |
| C5 | C25 | H23 | H24 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.4° | 60.1° |
| H1 | C1 | C2 | H5 | 59.4° | 59.9° |
| H2 | C1 | C2 | H4 | 179.4° | 60.0° |
| H2 | C1 | C2 | H5 | 60.7° | 180.0° |
| H3 | C1 | C2 | H4 | 60.6° | 180.0° |
| H3 | C1 | C2 | H5 | 179.4° | 60.1° |
| H4 | C2 | C3 | H6 | 72.0° | 180.0° |
| H4 | C2 | C3 | H7 | 46.7° | 60.0° |
| H5 | C2 | C3 | H6 | 46.7° | 60.0° |
| H5 | C2 | C3 | H7 | 165.5° | 180.0° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| H11 | C14 | H12 | H13 | 120.0° | 119.9° |
| H16 | C17 | C18 | H17 | 0.0° | 0.1° |
| H18 | C20 | C21 | H19 | 0.2° | 0.0° |
| H19 | C21 | C22 | H20 | 0.1° | 0.0° |
| H20 | C22 | C23 | H21 | 0.2° | 0.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
