35F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.47Å | 1.40Å | Aromatic |
| C6 | N7 | sing | 1.37Å | 1.34Å | Aromatic |
| C6 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C1 | sing | 1.48Å | 1.42Å | Aromatic |
| C17 | N21 | sing | 1.34Å | 1.35Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | N21 | doub | 1.31Å | 1.34Å | Aromatic |
| C20 | N19 | sing | 1.35Å | 1.34Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | sing | 1.47Å | 1.39Å | |
| C22 | O23 | doub | 1.22Å | 1.28Å | |
| C22 | N16 | sing | 1.35Å | 1.41Å | |
| C24 | O28 | sing | 1.35Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.35Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| O28 | C27 | sing | 1.34Å | 1.35Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N16 | C12 | sing | 1.40Å | 1.33Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | N8 | doub | 1.31Å | 1.35Å | Aromatic |
| N8 | N7 | sing | 1.40Å | 1.30Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N19 | N18 | sing | 1.40Å | 1.29Å | Aromatic |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| N7 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C1 | 119.6° | 119.5° |
| C5 | C4 | H4 | 120.2° | 120.3° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C4 | C5 | C9 | 133.8° | 133.9° |
| C1 | C4 | H4 | 120.2° | 120.3° |
| C4 | C1 | C17 | 120.6° | 119.9° |
| C4 | C1 | C2 | 118.6° | 120.2° |
| C6 | C5 | C9 | 105.6° | 106.3° |
| C5 | C6 | N7 | 109.1° | 106.9° |
| C5 | C6 | C3 | 121.4° | 119.7° |
| C5 | C9 | C10 | 130.0° | 126.3° |
| C5 | C9 | N8 | 105.1° | 107.6° |
| N7 | C6 | C3 | 129.5° | 133.4° |
| C6 | N7 | N8 | 107.2° | 109.3° |
| C6 | N7 | H141 | 126.4° | 125.4° |
| C6 | C3 | C2 | 118.4° | 120.2° |
| C6 | C3 | H3 | 120.8° | 119.9° |
| C15 | C10 | C11 | 118.1° | 119.8° |
| C15 | C10 | C9 | 120.5° | 120.1° |
| C10 | C15 | C14 | 120.8° | 120.0° |
| C10 | C15 | H15 | 119.6° | 120.0° |
| C11 | C10 | C9 | 121.4° | 120.1° |
| C10 | C11 | C12 | 121.8° | 119.8° |
| C10 | C11 | H11 | 119.1° | 120.1° |
| C10 | C9 | N8 | 124.8° | 126.2° |
| C12 | C13 | C14 | 120.5° | 120.2° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C13 | C12 | N16 | 118.4° | 120.0° |
| C13 | C12 | C11 | 118.7° | 120.0° |
| C14 | C13 | H13 | 119.7° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.2° |
| C13 | C14 | H14 | 119.9° | 119.9° |
| C14 | C15 | H15 | 119.6° | 120.0° |
| C15 | C14 | H14 | 119.9° | 119.9° |
| C1 | C17 | N21 | 125.6° | 125.6° |
| C1 | C17 | N18 | 125.7° | 125.6° |
| C17 | C1 | C2 | 120.8° | 119.9° |
| N21 | C17 | N18 | 108.7° | 108.7° |
| C17 | N21 | C20 | 105.9° | 109.8° |
| C17 | N18 | N19 | 107.5° | 106.7° |
| N21 | C20 | N19 | 108.4° | 108.3° |
| N21 | C20 | H20 | 125.8° | 125.9° |
| N19 | C20 | H20 | 125.8° | 125.8° |
| C20 | N19 | N18 | 109.4° | 106.5° |
| C20 | N19 | HN19 | 125.3° | 126.7° |
| C24 | C22 | O23 | 110.9° | 120.1° |
| C24 | C22 | N16 | 114.9° | 120.0° |
| C22 | C24 | O28 | 124.2° | 126.0° |
| C22 | C24 | C25 | 127.9° | 125.9° |
| O23 | C22 | N16 | 134.2° | 120.0° |
| C22 | N16 | C12 | 124.8° | 120.0° |
| C22 | N16 | HN16 | 117.6° | 120.0° |
| O28 | C24 | C25 | 107.9° | 108.0° |
| C24 | O28 | C27 | 108.7° | 109.4° |
| C24 | C25 | C26 | 107.6° | 106.7° |
| C24 | C25 | H25 | 126.2° | 126.6° |
| C27 | C26 | C25 | 106.6° | 107.1° |
| C27 | C26 | H26 | 126.7° | 126.4° |
| C26 | C27 | O28 | 109.2° | 108.7° |
| C26 | C27 | H27 | 125.4° | 125.6° |
| C25 | C26 | H26 | 126.7° | 126.5° |
| C26 | C25 | H25 | 126.2° | 126.7° |
| O28 | C27 | H27 | 125.4° | 125.6° |
| C12 | N16 | HN16 | 117.6° | 120.0° |
| N16 | C12 | C11 | 122.9° | 120.0° |
| C12 | C11 | H11 | 119.1° | 120.1° |
| C9 | N8 | N7 | 112.8° | 109.9° |
| N8 | N7 | H141 | 126.4° | 125.3° |
| C2 | C3 | H3 | 120.8° | 119.9° |
| C3 | C2 | C1 | 121.3° | 120.7° |
| C3 | C2 | H2 | 119.3° | 119.7° |
| C1 | C2 | H2 | 119.3° | 119.7° |
| N18 | N19 | HN19 | 125.3° | 126.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C1 | H4 | 180.0° | 179.7° |
| C4 | C5 | C6 | C9 | 179.6° | 179.9° |
| C4 | C5 | C6 | N7 | 177.6° | 180.0° |
| C4 | C5 | C6 | C3 | 2.4° | 0.1° |
| C4 | C5 | C9 | C10 | 4.6° | 0.1° |
| C5 | C4 | C1 | C17 | 177.4° | 180.0° |
| C4 | C5 | C9 | N8 | 177.2° | 180.0° |
| C5 | C4 | C1 | C2 | 2.6° | 0.1° |
| C1 | C4 | C5 | C6 | 3.5° | 0.1° |
| C1 | C4 | C5 | C9 | 177.1° | 180.0° |
| C4 | C1 | C17 | C2 | 179.9° | 179.9° |
| C4 | C1 | C17 | N21 | 1.0° | 180.0° |
| C4 | C1 | C17 | N18 | 179.2° | 0.4° |
| C4 | C1 | C2 | C3 | 0.5° | 0.1° |
| C4 | C1 | C2 | H2 | 179.5° | 179.9° |
| H4 | C4 | C5 | C6 | 176.5° | 179.8° |
| H4 | C4 | C5 | C9 | 2.9° | 0.3° |
| H4 | C4 | C1 | C17 | 2.6° | 0.3° |
| H4 | C4 | C1 | C2 | 177.4° | 179.8° |
| C5 | C6 | N7 | C3 | 180.0° | 179.9° |
| C6 | C5 | C9 | C10 | 175.9° | 180.0° |
| C6 | C5 | C9 | N8 | 2.3° | 0.1° |
| C5 | C6 | N7 | N8 | 0.8° | 0.0° |
| C5 | C6 | C3 | C2 | 0.3° | 0.1° |
| C5 | C6 | C3 | H3 | 179.7° | 179.9° |
| C5 | C6 | N7 | H141 | 179.2° | 180.0° |
| C9 | C5 | C6 | N7 | 1.9° | 0.0° |
| C9 | C5 | C6 | C3 | 178.0° | 180.0° |
| C5 | C9 | C10 | C15 | 149.1° | 35.0° |
| C5 | C9 | C10 | C11 | 33.2° | 144.7° |
| C5 | C9 | C10 | N8 | 177.9° | 179.9° |
| C5 | C9 | N8 | N7 | 2.0° | 0.1° |
| C6 | N7 | N8 | C9 | 0.8° | 0.0° |
| C6 | N7 | N8 | H141 | 180.0° | 180.0° |
| N7 | C6 | C3 | C2 | 179.7° | 180.0° |
| N7 | C6 | C3 | H3 | 0.3° | 0.0° |
| C3 | C6 | N7 | N8 | 179.2° | 179.9° |
| C6 | C3 | C2 | H3 | 180.0° | 180.0° |
| C6 | C3 | C2 | C1 | 0.6° | 0.1° |
| C6 | C3 | C2 | H2 | 179.4° | 179.9° |
| C3 | C6 | N7 | H141 | 0.8° | 0.0° |
| C15 | C10 | C11 | C9 | 177.8° | 179.6° |
| C10 | C15 | C14 | C13 | 0.9° | 0.1° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 2.5° | 0.0° |
| C15 | C10 | C11 | H11 | 177.5° | 180.0° |
| C10 | C15 | C14 | H14 | 179.1° | 180.0° |
| C15 | C10 | C9 | N8 | 33.0° | 145.1° |
| C10 | C11 | C12 | C13 | 3.8° | 0.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.1° |
| C11 | C10 | C15 | H15 | 179.9° | 180.0° |
| C10 | C11 | C12 | N16 | 177.2° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | N8 | 144.7° | 35.2° |
| C9 | C10 | C15 | C14 | 177.9° | 179.7° |
| C9 | C10 | C15 | H15 | 2.1° | 0.4° |
| C9 | C10 | C11 | C12 | 179.7° | 179.7° |
| C9 | C10 | C11 | H11 | 0.3° | 0.3° |
| C10 | C9 | N8 | N7 | 176.3° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C13 | C12 | N16 | C22 | 144.6° | 144.9° |
| C13 | C12 | N16 | C11 | 179.0° | 180.0° |
| C13 | C12 | N16 | HN16 | 35.3° | 35.1° |
| C13 | C12 | C11 | H11 | 176.2° | 180.0° |
| C12 | C13 | C14 | H14 | 179.6° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.1° | 180.0° |
| C14 | C13 | C12 | N16 | 178.2° | 180.0° |
| C14 | C13 | C12 | C11 | 2.7° | 0.0° |
| H13 | C13 | C14 | C15 | 179.6° | 180.0° |
| H13 | C13 | C12 | N16 | 1.8° | 0.1° |
| H13 | C13 | C12 | C11 | 177.3° | 180.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.1° |
| H15 | C15 | C14 | H14 | 0.9° | 0.1° |
| C1 | C17 | N21 | N18 | 179.8° | 179.7° |
| C1 | C17 | N21 | C20 | 180.0° | 180.0° |
| C17 | C1 | C2 | C3 | 179.4° | 180.0° |
| C17 | C1 | C2 | H2 | 0.6° | 0.0° |
| C1 | C17 | N18 | N19 | 180.0° | 179.9° |
| C17 | N21 | C20 | N19 | 0.2° | 0.2° |
| C17 | N21 | C20 | H20 | 179.8° | 180.0° |
| N21 | C17 | C1 | C2 | 178.9° | 0.1° |
| N21 | C17 | N18 | N19 | 0.1° | 0.3° |
| N18 | C17 | N21 | C20 | 0.2° | 0.3° |
| C17 | N18 | N19 | C20 | 0.0° | 0.2° |
| N18 | C17 | C1 | C2 | 0.9° | 179.7° |
| C17 | N18 | N19 | HN19 | 180.0° | 179.9° |
| N21 | C20 | N19 | H20 | 180.0° | 179.8° |
| N21 | C20 | N19 | N18 | 0.1° | 0.0° |
| N21 | C20 | N19 | HN19 | 179.9° | 179.9° |
| C20 | N19 | N18 | HN19 | 180.0° | 179.9° |
| H20 | C20 | N19 | N18 | 179.9° | 179.8° |
| H20 | C20 | N19 | HN19 | 0.1° | 0.1° |
| C24 | C22 | O23 | N16 | 178.3° | 179.9° |
| C22 | C24 | O28 | C25 | 179.5° | 179.7° |
| C22 | C24 | C25 | C26 | 179.7° | 179.9° |
| C22 | C24 | O28 | C27 | 179.5° | 180.0° |
| C22 | C24 | C25 | H25 | 0.3° | 0.0° |
| C24 | C22 | N16 | C12 | 172.3° | 175.4° |
| C24 | C22 | N16 | HN16 | 7.7° | 4.6° |
| O23 | C22 | C24 | O28 | 23.5° | 180.0° |
| O23 | C22 | C24 | C25 | 155.8° | 0.3° |
| O23 | C22 | N16 | C12 | 9.4° | 4.5° |
| O23 | C22 | N16 | HN16 | 170.6° | 175.4° |
| N16 | C22 | C24 | O28 | 155.2° | 0.1° |
| N16 | C22 | C24 | C25 | 25.5° | 179.7° |
| C22 | N16 | C12 | HN16 | 180.0° | 180.0° |
| C22 | N16 | C12 | C11 | 36.3° | 35.1° |
| C24 | O28 | C27 | C26 | 0.8° | 0.0° |
| O28 | C24 | C25 | C26 | 0.9° | 0.4° |
| C24 | O28 | C27 | H27 | 179.2° | 179.8° |
| O28 | C24 | C25 | H25 | 179.1° | 179.8° |
| C24 | C25 | C26 | C27 | 0.4° | 0.4° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.6° | 179.8° |
| C25 | C24 | O28 | C27 | 1.0° | 0.2° |
| C27 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C27 | O28 | H27 | 180.0° | 179.8° |
| C27 | C26 | C25 | H25 | 179.6° | 179.8° |
| C25 | C26 | C27 | O28 | 0.3° | 0.2° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| H26 | C26 | C27 | O28 | 179.7° | 180.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.2° |
| H26 | C26 | C25 | H25 | 0.3° | 0.0° |
| N16 | C12 | C11 | H11 | 2.8° | 0.0° |
| HN16 | N16 | C12 | C11 | 143.7° | 144.9° |
| C9 | N8 | N7 | H141 | 179.2° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| H3 | C3 | C2 | C1 | 179.4° | 179.9° |
| H3 | C3 | C2 | H2 | 0.6° | 0.1° |
