0J7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.33Å | Aromatic |
| N25 | C20 | sing | 1.33Å | 1.35Å | Aromatic |
| C16 | C20 | sing | 1.48Å | 1.50Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.52Å | |
| N1 | N2 | sing | 1.28Å | 1.38Å | Aromatic |
| N1 | C5 | doub | 1.32Å | 1.37Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.40Å | Aromatic |
| C20 | N21 | doub | 1.33Å | 1.35Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.34Å | |
| N12 | C8 | sing | 1.40Å | 1.42Å | |
| C13 | O26 | doub | 1.22Å | 1.24Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C5 | N4 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| N3 | N4 | sing | 1.41Å | 1.40Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 121.1° | 120.3° |
| C18 | C17 | C16 | 118.5° | 120.2° |
| C17 | C18 | H8 | 119.4° | 119.9° |
| C18 | C17 | H9 | 120.8° | 119.9° |
| C18 | C19 | C14 | 121.0° | 120.1° |
| C18 | C19 | H7 | 119.5° | 120.0° |
| C19 | C18 | H8 | 119.4° | 119.9° |
| C17 | C16 | C20 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.4° | 119.9° |
| C16 | C17 | H9 | 120.7° | 120.0° |
| C19 | C14 | C15 | 117.8° | 119.9° |
| C19 | C14 | C13 | 122.5° | 120.1° |
| C14 | C19 | H7 | 119.5° | 120.0° |
| C24 | N25 | C20 | 121.7° | 120.8° |
| N25 | C24 | C23 | 118.5° | 119.2° |
| N25 | C24 | H11 | 120.8° | 120.4° |
| N25 | C20 | C16 | 120.5° | 119.2° |
| N25 | C20 | N21 | 120.2° | 121.6° |
| C20 | C16 | C15 | 119.7° | 120.1° |
| C16 | C20 | N21 | 119.3° | 119.2° |
| C16 | C15 | C14 | 121.2° | 119.7° |
| C16 | C15 | H10 | 119.4° | 120.2° |
| C24 | C23 | C22 | 120.0° | 118.5° |
| C23 | C24 | H11 | 120.8° | 120.4° |
| C24 | C23 | H12 | 120.0° | 120.7° |
| C15 | C14 | C13 | 119.8° | 120.1° |
| C14 | C15 | H10 | 119.4° | 120.1° |
| C14 | C13 | N12 | 120.6° | 120.0° |
| C14 | C13 | O26 | 118.0° | 120.0° |
| N2 | N1 | C5 | 109.4° | 110.5° |
| N1 | N2 | N3 | 107.1° | 110.4° |
| N1 | C5 | C6 | 126.4° | 126.5° |
| N1 | C5 | N4 | 107.8° | 107.1° |
| N2 | N3 | N4 | 106.4° | 106.8° |
| C20 | N21 | C22 | 119.8° | 120.7° |
| C13 | N12 | C8 | 124.1° | 120.0° |
| N12 | C13 | O26 | 121.2° | 120.0° |
| C13 | N12 | H1 | 117.9° | 120.0° |
| N12 | C8 | C7 | 115.5° | 120.0° |
| N12 | C8 | C9 | 124.2° | 120.0° |
| C8 | N12 | H1 | 118.0° | 120.0° |
| C8 | C7 | C6 | 122.2° | 119.8° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C8 | C7 | H2 | 118.9° | 120.1° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C7 | C6 | C11 | 117.5° | 119.8° |
| C6 | C7 | H2 | 118.9° | 120.1° |
| C23 | C22 | N21 | 119.8° | 119.2° |
| C22 | C23 | H12 | 120.0° | 120.7° |
| C23 | C22 | H13 | 120.1° | 120.4° |
| C6 | C5 | N4 | 125.6° | 126.5° |
| C5 | C6 | C11 | 122.0° | 120.1° |
| C5 | N4 | N3 | 109.1° | 105.2° |
| C5 | N4 | H6 | 125.5° | 127.4° |
| C8 | C9 | C10 | 116.9° | 120.2° |
| C8 | C9 | H3 | 121.6° | 119.9° |
| N3 | N4 | H6 | 125.5° | 127.4° |
| N21 | C22 | H13 | 120.1° | 120.4° |
| C6 | C11 | C10 | 120.3° | 120.0° |
| C6 | C11 | H5 | 119.9° | 120.0° |
| C9 | C10 | C11 | 122.6° | 120.2° |
| C10 | C9 | H3 | 121.5° | 119.9° |
| C9 | C10 | H4 | 118.7° | 119.9° |
| C11 | C10 | H4 | 118.7° | 119.8° |
| C10 | C11 | H5 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | H9 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 1.5° | 0.0° |
| C18 | C17 | C16 | C20 | 177.4° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C18 | C19 | H7 | 178.5° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.0° |
| C18 | C19 | C14 | H7 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 2.2° | 0.0° |
| C18 | C19 | C14 | C13 | 179.3° | 179.7° |
| C19 | C18 | C17 | H9 | 179.7° | 179.9° |
| C17 | C16 | C20 | N25 | 16.3° | 179.7° |
| C17 | C16 | C20 | C15 | 177.2° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C17 | C16 | C20 | N21 | 162.8° | 0.0° |
| C16 | C17 | C18 | H8 | 179.7° | 180.0° |
| C17 | C16 | C15 | H10 | 179.5° | 179.6° |
| C19 | C14 | C15 | C16 | 1.7° | 0.0° |
| C19 | C14 | C15 | C13 | 178.5° | 179.7° |
| C19 | C14 | C13 | N12 | 1.6° | 0.0° |
| C19 | C14 | C13 | O26 | 176.9° | 179.7° |
| C14 | C19 | C18 | H8 | 178.5° | 180.0° |
| C19 | C14 | C15 | H10 | 178.3° | 179.6° |
| C24 | N25 | C20 | C16 | 178.8° | 180.0° |
| N25 | C24 | C23 | H11 | 180.0° | 179.9° |
| C24 | N25 | C20 | N21 | 0.3° | 0.3° |
| N25 | C24 | C23 | C22 | 1.4° | 0.0° |
| N25 | C24 | C23 | H12 | 178.6° | 179.9° |
| N25 | C20 | C16 | N21 | 179.1° | 179.7° |
| N25 | C20 | C16 | C15 | 166.5° | 0.3° |
| C20 | N25 | C24 | C23 | 1.0° | 0.0° |
| N25 | C20 | N21 | C22 | 0.0° | 0.6° |
| C20 | N25 | C24 | H11 | 179.0° | 179.9° |
| C20 | C16 | C15 | C14 | 176.7° | 180.0° |
| C16 | C20 | N21 | C22 | 179.1° | 179.8° |
| C20 | C16 | C17 | H9 | 2.6° | 0.1° |
| C20 | C16 | C15 | H10 | 3.3° | 0.3° |
| C16 | C15 | C14 | H10 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 179.7° | 179.7° |
| C15 | C16 | C20 | N21 | 14.4° | 180.0° |
| C15 | C16 | C17 | H9 | 179.8° | 180.0° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C24 | C23 | C22 | N21 | 1.1° | 0.2° |
| C24 | C23 | C22 | H13 | 178.9° | 179.9° |
| C15 | C14 | C13 | N12 | 180.0° | 179.7° |
| C15 | C14 | C13 | O26 | 4.6° | 0.0° |
| C15 | C14 | C19 | H7 | 177.8° | 180.0° |
| C14 | C13 | N12 | O26 | 175.2° | 179.8° |
| C14 | C13 | N12 | C8 | 177.0° | 175.6° |
| C14 | C13 | N12 | H1 | 3.0° | 4.4° |
| C13 | C14 | C19 | H7 | 0.7° | 0.3° |
| C13 | C14 | C15 | H10 | 0.2° | 0.1° |
| N2 | N1 | C5 | C6 | 179.5° | 179.8° |
| N2 | N1 | C5 | N4 | 5.3° | 0.5° |
| N1 | N2 | N3 | N4 | 1.1° | 0.3° |
| C5 | N1 | N2 | N3 | 4.0° | 0.5° |
| N1 | C5 | C6 | C7 | 26.5° | 0.3° |
| N1 | C5 | C6 | N4 | 173.2° | 179.7° |
| N1 | C5 | N4 | N3 | 4.6° | 0.3° |
| N1 | C5 | C6 | C11 | 157.2° | 179.7° |
| N1 | C5 | N4 | H6 | 175.4° | 179.8° |
| N2 | N3 | N4 | C5 | 2.1° | 0.0° |
| N2 | N3 | N4 | H6 | 177.9° | 180.0° |
| C20 | N21 | C22 | C23 | 0.4° | 0.5° |
| C20 | N21 | C22 | H13 | 179.6° | 179.7° |
| C13 | N12 | C8 | H1 | 180.0° | 180.0° |
| C13 | N12 | C8 | C7 | 148.1° | 35.4° |
| C13 | N12 | C8 | C9 | 30.5° | 145.0° |
| C8 | N12 | C13 | O26 | 7.9° | 4.6° |
| N12 | C8 | C7 | C9 | 178.7° | 179.6° |
| N12 | C8 | C7 | C6 | 177.6° | 180.0° |
| N12 | C8 | C9 | C10 | 175.6° | 180.0° |
| N12 | C8 | C7 | H2 | 2.4° | 0.1° |
| N12 | C8 | C9 | H3 | 4.4° | 0.0° |
| O26 | C13 | N12 | H1 | 172.1° | 175.3° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 178.4° | 179.9° |
| C8 | C7 | C6 | C11 | 2.0° | 0.0° |
| C7 | C8 | C9 | C10 | 2.9° | 0.4° |
| C7 | C8 | N12 | H1 | 31.9° | 144.6° |
| C7 | C8 | C9 | H3 | 177.0° | 179.7° |
| C7 | C6 | C5 | C11 | 176.2° | 180.0° |
| C7 | C6 | C5 | N4 | 160.3° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.3° |
| C7 | C6 | C11 | C10 | 3.3° | 0.2° |
| C7 | C6 | C11 | H5 | 176.7° | 180.0° |
| C23 | C22 | N21 | H13 | 180.0° | 179.8° |
| C22 | C23 | C24 | H11 | 178.6° | 180.0° |
| C6 | C5 | N4 | N3 | 178.8° | 180.0° |
| C5 | C6 | C11 | C10 | 179.6° | 179.8° |
| C5 | C6 | C7 | H2 | 1.6° | 0.0° |
| C5 | C6 | C11 | H5 | 0.4° | 0.0° |
| C6 | C5 | N4 | H6 | 1.2° | 0.0° |
| C5 | N4 | N3 | H6 | 180.0° | 179.9° |
| N4 | C5 | C6 | C11 | 15.9° | 0.0° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.7° | 0.1° |
| C9 | C8 | N12 | H1 | 149.5° | 35.1° |
| C9 | C8 | C7 | H2 | 178.9° | 179.7° |
| C8 | C9 | C10 | H4 | 178.3° | 180.0° |
| N21 | C22 | C23 | H12 | 178.9° | 179.8° |
| C6 | C11 | C10 | C9 | 1.4° | 0.2° |
| C6 | C11 | C10 | H5 | 180.0° | 179.8° |
| C11 | C6 | C7 | H2 | 177.9° | 180.0° |
| C6 | C11 | C10 | H4 | 178.6° | 179.7° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | H5 | 178.6° | 180.0° |
| C11 | C10 | C9 | H3 | 178.2° | 179.9° |
| H3 | C9 | C10 | H4 | 1.8° | 0.0° |
| H4 | C10 | C11 | H5 | 1.4° | 0.1° |
| H7 | C19 | C18 | H8 | 1.5° | 0.0° |
| H8 | C18 | C17 | H9 | 0.3° | 0.0° |
| H11 | C24 | C23 | H12 | 1.4° | 0.0° |
| H12 | C23 | C22 | H13 | 1.1° | 0.0° |
