Z64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C1 | N10 | sing | 1.39Å | 1.40Å | |
| C3 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | N4 | sing | 1.31Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N4 | doub | 1.34Å | 1.36Å | Aromatic |
| C5 | N9 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | N9 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | N10 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C20 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.48Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | N19 | doub | 1.31Å | 1.35Å | Aromatic |
| C17 | N18 | sing | 1.37Å | 1.32Å | Aromatic |
| C17 | C22 | sing | 1.47Å | 1.48Å | Aromatic |
| N18 | N19 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | O23 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| O23 | C24 | sing | 1.34Å | 1.47Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | N2 | 118.3° | 118.5° |
| C6 | C1 | N10 | 122.8° | 120.8° |
| C1 | C6 | C5 | 119.0° | 118.7° |
| C1 | C6 | N7 | 133.6° | 135.2° |
| N2 | C1 | N10 | 118.8° | 120.7° |
| C1 | N2 | C3 | 121.9° | 121.1° |
| C1 | N10 | C11 | 119.7° | 111.0° |
| C1 | N10 | C12 | 122.4° | 111.0° |
| N2 | C3 | N4 | 121.0° | 122.5° |
| N2 | C3 | H3 | 119.5° | 118.8° |
| C3 | N4 | C5 | 119.6° | 120.6° |
| N4 | C3 | H3 | 119.5° | 118.7° |
| C6 | C5 | N4 | 120.2° | 118.6° |
| C6 | C5 | N9 | 107.7° | 106.8° |
| C5 | C6 | N7 | 107.3° | 106.1° |
| N4 | C5 | N9 | 132.2° | 134.5° |
| C5 | N9 | C8 | 108.5° | 109.8° |
| C6 | N7 | C8 | 107.8° | 107.2° |
| C6 | N7 | HN7 | 126.1° | 126.4° |
| N9 | C8 | N7 | 108.8° | 110.1° |
| N9 | C8 | H8 | 125.6° | 125.0° |
| N7 | C8 | H8 | 125.6° | 125.0° |
| C8 | N7 | HN7 | 126.1° | 126.4° |
| C11 | N10 | C12 | 117.8° | 110.9° |
| N10 | C11 | H11 | 109.5° | 109.5° |
| N10 | C11 | H11A | 109.5° | 109.5° |
| N10 | C11 | H11B | 109.5° | 109.4° |
| C13 | C12 | N10 | 108.0° | 109.5° |
| C12 | C13 | C14 | 113.5° | 109.5° |
| C13 | C12 | H12 | 110.0° | 109.5° |
| C13 | C12 | H12A | 110.3° | 109.5° |
| C12 | C13 | H13 | 108.1° | 109.5° |
| C12 | C13 | H13A | 107.2° | 109.5° |
| N10 | C12 | H12 | 110.0° | 109.4° |
| N10 | C12 | H12A | 110.3° | 109.5° |
| C13 | C14 | C15 | 109.4° | 109.4° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C14 | C13 | H13A | 107.2° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C14 | C15 | C16 | 112.1° | 109.4° |
| C15 | C14 | H14 | 109.5° | 109.5° |
| C15 | C14 | H14A | 109.5° | 109.5° |
| C14 | C15 | H15 | 108.6° | 109.5° |
| C14 | C15 | H15A | 108.0° | 109.5° |
| C15 | C16 | C20 | 128.1° | 126.2° |
| C15 | C16 | C17 | 131.4° | 126.1° |
| C16 | C15 | H15 | 108.6° | 109.5° |
| C16 | C15 | H15A | 108.0° | 109.5° |
| C20 | C16 | C17 | 100.4° | 107.7° |
| C16 | C20 | C21 | 126.4° | 125.6° |
| C16 | C20 | N19 | 107.9° | 108.7° |
| C16 | C17 | N18 | 114.2° | 107.0° |
| C16 | C17 | C22 | 124.8° | 126.5° |
| C21 | C20 | N19 | 125.7° | 125.7° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.4° | 109.4° |
| C20 | C21 | H21B | 109.4° | 109.5° |
| C20 | N19 | N18 | 112.9° | 108.8° |
| N18 | C17 | C22 | 121.0° | 126.4° |
| C17 | N18 | N19 | 104.5° | 107.8° |
| C17 | N18 | HN18 | 127.7° | 126.1° |
| C17 | C22 | O23 | 122.6° | 126.0° |
| C17 | C22 | C26 | 121.8° | 126.0° |
| N19 | N18 | HN18 | 127.7° | 126.1° |
| O23 | C22 | C26 | 115.6° | 108.1° |
| C22 | O23 | C24 | 102.1° | 109.4° |
| C22 | C26 | C25 | 104.4° | 106.7° |
| C22 | C26 | H26 | 127.8° | 126.6° |
| O23 | C24 | C25 | 108.2° | 108.7° |
| O23 | C24 | H24 | 125.9° | 125.6° |
| C24 | C25 | C26 | 109.6° | 107.1° |
| C25 | C24 | H24 | 125.9° | 125.7° |
| C24 | C25 | H25 | 125.2° | 126.5° |
| C26 | C25 | H25 | 125.2° | 126.4° |
| C25 | C26 | H26 | 127.8° | 126.7° |
| H11 | C11 | H11A | 109.4° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 108.3° | 109.5° |
| H13 | C13 | H13A | 112.7° | 109.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H15 | C15 | H15A | 111.6° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | N2 | N10 | 178.3° | 179.7° |
| C6 | C1 | N2 | C3 | 1.4° | 0.0° |
| C1 | C6 | C5 | N7 | 179.3° | 180.0° |
| C1 | C6 | C5 | N4 | 0.2° | 0.0° |
| C1 | C6 | C5 | N9 | 179.8° | 179.9° |
| C1 | C6 | N7 | C8 | 179.9° | 179.9° |
| C6 | C1 | N10 | C11 | 179.7° | 56.1° |
| C6 | C1 | N10 | C12 | 2.6° | 180.0° |
| C1 | C6 | N7 | HN7 | 0.1° | 0.0° |
| C1 | N2 | C3 | N4 | 1.3° | 0.0° |
| N2 | C1 | C6 | C5 | 0.7° | 0.0° |
| N2 | C1 | C6 | N7 | 179.7° | 179.9° |
| N2 | C1 | N10 | C11 | 2.1° | 124.2° |
| N2 | C1 | N10 | C12 | 175.7° | 0.3° |
| C1 | N2 | C3 | H3 | 178.6° | 180.0° |
| N10 | C1 | N2 | C3 | 179.8° | 179.7° |
| N10 | C1 | C6 | C5 | 178.9° | 179.7° |
| N10 | C1 | C6 | N7 | 2.0° | 0.4° |
| C1 | N10 | C11 | C12 | 177.9° | 124.0° |
| C1 | N10 | C12 | C13 | 85.1° | 170.0° |
| C1 | N10 | C11 | H11 | 176.4° | 60.0° |
| C1 | N10 | C11 | H11A | 63.7° | 180.0° |
| C1 | N10 | C11 | H11B | 56.4° | 60.0° |
| C1 | N10 | C12 | H12 | 34.9° | 50.0° |
| C1 | N10 | C12 | H12A | 154.3° | 69.9° |
| N2 | C3 | N4 | H3 | 180.0° | 179.9° |
| N2 | C3 | N4 | C5 | 0.4° | 0.0° |
| C3 | N4 | C5 | C6 | 0.3° | 0.0° |
| C3 | N4 | C5 | N9 | 179.6° | 179.9° |
| C6 | C5 | N4 | N9 | 179.9° | 179.9° |
| C6 | C5 | N9 | C8 | 0.8° | 0.0° |
| C5 | C6 | N7 | C8 | 0.8° | 0.0° |
| C5 | C6 | N7 | HN7 | 179.2° | 179.9° |
| N4 | C5 | C6 | N7 | 179.1° | 180.0° |
| N4 | C5 | N9 | C8 | 179.3° | 180.0° |
| C5 | N4 | C3 | H3 | 179.5° | 180.0° |
| N9 | C5 | C6 | N7 | 1.0° | 0.0° |
| C5 | N9 | C8 | N7 | 0.3° | 0.0° |
| C5 | N9 | C8 | H8 | 179.7° | 180.0° |
| C6 | N7 | C8 | N9 | 0.3° | 0.0° |
| C6 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C6 | N7 | C8 | H8 | 179.7° | 180.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | HN7 | 179.6° | 179.9° |
| C11 | N10 | C12 | C13 | 97.1° | 66.1° |
| N10 | C11 | H11 | H11A | 120.0° | 120.0° |
| N10 | C11 | H11 | H11B | 120.0° | 120.0° |
| N10 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | N10 | C12 | H12 | 143.0° | 173.9° |
| C11 | N10 | C12 | H12A | 23.5° | 54.0° |
| C13 | C12 | N10 | H12 | 120.0° | 120.0° |
| C13 | C12 | N10 | H12A | 120.6° | 120.1° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 118.2° | 120.0° |
| C12 | C13 | C14 | C15 | 161.5° | 180.0° |
| C13 | C12 | H12 | H12A | 120.6° | 120.0° |
| C12 | C13 | H13 | H13A | 118.4° | 120.0° |
| C12 | C13 | C14 | H14 | 78.5° | 60.0° |
| C12 | C13 | C14 | H14A | 41.5° | 60.0° |
| N10 | C12 | C13 | C14 | 62.9° | 180.0° |
| C12 | N10 | C11 | H11 | 1.5° | 64.0° |
| C12 | N10 | C11 | H11A | 118.5° | 56.0° |
| C12 | N10 | C11 | H11B | 121.5° | 176.0° |
| N10 | C12 | H12 | H12A | 120.6° | 119.9° |
| N10 | C12 | C13 | H13 | 177.1° | 60.0° |
| N10 | C12 | C13 | H13A | 55.3° | 60.0° |
| C13 | C14 | C15 | H14 | 120.0° | 119.9° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 171.1° | 180.0° |
| C14 | C13 | C12 | H12 | 177.1° | 60.0° |
| C14 | C13 | C12 | H12A | 57.7° | 60.0° |
| C14 | C13 | H13 | H13A | 118.3° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | H15 | 51.1° | 60.1° |
| C13 | C14 | C15 | H15A | 70.1° | 60.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 118.9° | 120.0° |
| C14 | C15 | C16 | C20 | 111.2° | 90.0° |
| C14 | C15 | C16 | C17 | 66.4° | 90.3° |
| C15 | C14 | C13 | H13 | 41.5° | 60.0° |
| C15 | C14 | C13 | H13A | 80.3° | 60.0° |
| C15 | C14 | H14 | H14A | 120.0° | 120.1° |
| C14 | C15 | H15 | H15A | 118.9° | 120.0° |
| C15 | C16 | C20 | C17 | 178.2° | 179.7° |
| C15 | C16 | C20 | C21 | 2.1° | 0.0° |
| C15 | C16 | C20 | N19 | 179.0° | 179.9° |
| C15 | C16 | C17 | N18 | 179.3° | 179.9° |
| C15 | C16 | C17 | C22 | 2.1° | 0.0° |
| C16 | C15 | C14 | H14 | 68.9° | 60.1° |
| C16 | C15 | C14 | H14A | 51.0° | 60.0° |
| C16 | C15 | H15 | H15A | 118.9° | 120.0° |
| C16 | C20 | C21 | N19 | 178.7° | 180.0° |
| C20 | C16 | C17 | N18 | 1.3° | 0.2° |
| C20 | C16 | C17 | C22 | 179.9° | 179.7° |
| C16 | C20 | N19 | N18 | 0.2° | 0.1° |
| C20 | C16 | C15 | H15 | 128.8° | 29.9° |
| C20 | C16 | C15 | H15A | 7.7° | 150.0° |
| C16 | C20 | C21 | H21 | 107.9° | 90.1° |
| C16 | C20 | C21 | H21A | 132.1° | 150.1° |
| C16 | C20 | C21 | H21B | 12.1° | 30.0° |
| C17 | C16 | C20 | C21 | 179.8° | 179.7° |
| C17 | C16 | C20 | N19 | 0.8° | 0.2° |
| C16 | C17 | N18 | C22 | 178.6° | 180.0° |
| C16 | C17 | N18 | N19 | 1.2° | 0.2° |
| C16 | C17 | C22 | O23 | 20.7° | 44.9° |
| C16 | C17 | C22 | C26 | 162.0° | 134.6° |
| C17 | C16 | C15 | H15 | 53.6° | 149.7° |
| C17 | C16 | C15 | H15A | 174.7° | 29.7° |
| C16 | C17 | N18 | HN18 | 178.8° | 180.0° |
| C21 | C20 | N19 | N18 | 179.2° | 179.8° |
| C20 | C21 | H21 | H21A | 120.0° | 119.9° |
| C20 | C21 | H21 | H21B | 120.0° | 120.1° |
| C20 | C21 | H21A | H21B | 120.0° | 120.1° |
| C20 | N19 | N18 | C17 | 0.6° | 0.0° |
| N19 | C20 | C21 | H21 | 73.4° | 89.9° |
| N19 | C20 | C21 | H21A | 46.6° | 30.0° |
| N19 | C20 | C21 | H21B | 166.6° | 150.0° |
| C20 | N19 | N18 | HN18 | 179.4° | 179.9° |
| C17 | N18 | N19 | HN18 | 180.0° | 179.8° |
| N18 | C17 | C22 | O23 | 157.8° | 135.1° |
| N18 | C17 | C22 | C26 | 19.5° | 45.4° |
| C22 | C17 | N18 | N19 | 179.8° | 179.8° |
| C17 | C22 | O23 | C26 | 177.4° | 179.6° |
| C17 | C22 | O23 | C24 | 179.0° | 179.9° |
| C17 | C22 | C26 | C25 | 178.8° | 180.0° |
| C22 | C17 | N18 | HN18 | 0.1° | 0.0° |
| C17 | C22 | C26 | H26 | 1.3° | 0.2° |
| C22 | O23 | C24 | C25 | 1.2° | 0.0° |
| O23 | C22 | C26 | C25 | 1.4° | 0.4° |
| C22 | O23 | C24 | H24 | 178.8° | 180.0° |
| O23 | C22 | C26 | H26 | 178.7° | 179.8° |
| C26 | C22 | O23 | C24 | 1.6° | 0.3° |
| C22 | C26 | C25 | C24 | 0.5° | 0.4° |
| C22 | C26 | C25 | H26 | 180.0° | 179.8° |
| C22 | C26 | C25 | H25 | 179.5° | 179.8° |
| O23 | C24 | C25 | H24 | 180.0° | 180.0° |
| O23 | C24 | C25 | C26 | 0.4° | 0.2° |
| O23 | C24 | C25 | H25 | 179.6° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.6° | 179.8° |
| C26 | C25 | C24 | H24 | 179.6° | 179.8° |
| H8 | C8 | N7 | HN7 | 0.4° | 0.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 57.1° | 60.0° |
| H12 | C12 | C13 | H13A | 64.7° | 180.0° |
| H12A | C12 | C13 | H13 | 62.3° | 180.0° |
| H12A | C12 | C13 | H13A | 175.9° | 60.0° |
| H13 | C13 | C14 | H14 | 161.5° | 180.0° |
| H13 | C13 | C14 | H14A | 78.5° | 60.0° |
| H13A | C13 | C14 | H14 | 39.8° | 60.0° |
| H13A | C13 | C14 | H14A | 159.7° | 180.0° |
| H14 | C14 | C15 | H15 | 171.1° | 180.0° |
| H14 | C14 | C15 | H15A | 50.0° | 59.9° |
| H14A | C14 | C15 | H15 | 68.9° | 60.0° |
| H14A | C14 | C15 | H15A | 169.9° | 180.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 0.4° | 0.0° |
| H25 | C25 | C26 | H26 | 0.4° | 0.0° |
