33N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C9 | sing | 1.53Å | 1.53Å | |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | O19 | doub | 1.22Å | 1.21Å | |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C17 | N14 | sing | 1.35Å | 1.34Å | |
| C20 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | N23 | sing | 1.32Å | 1.32Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | N23 | doub | 1.32Å | 1.32Å | Aromatic |
| N14 | C9 | sing | 1.46Å | 1.46Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C16 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C4 | C1 | 109.8° | 109.5° |
| C4 | C9 | N14 | 108.7° | 109.5° |
| C9 | C4 | H4 | 109.3° | 109.4° |
| C9 | C4 | H4A | 109.3° | 109.5° |
| C4 | C9 | H9 | 109.7° | 109.5° |
| C4 | C9 | H9A | 109.9° | 109.4° |
| C4 | C1 | C3 | 109.3° | 109.5° |
| C4 | C1 | C2 | 111.1° | 109.5° |
| C1 | C4 | H4 | 109.4° | 109.5° |
| C1 | C4 | H4A | 109.2° | 109.5° |
| C4 | C1 | H1 | 109.0° | 109.5° |
| C10 | C5 | C2 | 120.0° | 120.0° |
| C5 | C10 | C15 | 120.0° | 120.0° |
| C10 | C5 | H5 | 120.0° | 120.0° |
| C5 | C10 | H10 | 120.0° | 120.0° |
| C5 | C2 | C6 | 120.0° | 120.0° |
| C5 | C2 | C1 | 120.8° | 120.0° |
| C2 | C5 | H5 | 120.0° | 120.0° |
| C2 | C6 | C11 | 120.0° | 120.0° |
| C6 | C2 | C1 | 119.3° | 120.0° |
| C2 | C6 | H6 | 120.0° | 120.0° |
| C6 | C11 | C15 | 120.0° | 120.0° |
| C11 | C6 | H6 | 120.0° | 120.0° |
| C6 | C11 | H11 | 120.0° | 120.0° |
| C3 | C7 | C12 | 120.0° | 120.0° |
| C7 | C3 | C8 | 120.0° | 120.0° |
| C7 | C3 | C1 | 120.1° | 120.0° |
| C3 | C7 | H7 | 120.0° | 120.0° |
| C7 | C12 | C16 | 120.1° | 120.0° |
| C12 | C7 | H7 | 120.0° | 120.0° |
| C7 | C12 | H12 | 120.0° | 120.0° |
| C13 | C8 | C3 | 119.9° | 120.0° |
| C8 | C13 | C16 | 120.2° | 120.0° |
| C13 | C8 | H8 | 120.0° | 120.0° |
| C8 | C13 | H13 | 119.9° | 120.0° |
| C8 | C3 | C1 | 119.9° | 120.0° |
| C3 | C8 | H8 | 120.1° | 120.0° |
| C10 | C15 | C11 | 120.1° | 120.0° |
| C15 | C10 | H10 | 120.0° | 120.0° |
| C10 | C15 | H15 | 120.0° | 120.0° |
| C13 | C16 | C12 | 119.9° | 120.0° |
| C16 | C13 | H13 | 119.9° | 120.0° |
| C13 | C16 | H16 | 120.1° | 120.0° |
| C11 | C15 | H15 | 120.0° | 120.0° |
| C15 | C11 | H11 | 120.0° | 120.0° |
| O19 | C17 | C18 | 120.1° | 120.0° |
| O19 | C17 | N14 | 119.6° | 120.0° |
| C18 | C17 | N14 | 120.3° | 120.0° |
| C17 | C18 | C20 | 120.4° | 120.5° |
| C17 | C18 | C21 | 120.7° | 120.6° |
| C17 | N14 | C9 | 119.8° | 120.0° |
| C17 | N14 | HN14 | 120.1° | 120.0° |
| C22 | C20 | C18 | 118.3° | 118.3° |
| C20 | C22 | C24 | 119.2° | 119.3° |
| C22 | C20 | H20 | 120.9° | 120.9° |
| C20 | C22 | H22 | 120.4° | 120.4° |
| C20 | C18 | C21 | 118.9° | 118.9° |
| C18 | C20 | H20 | 120.9° | 120.8° |
| C18 | C21 | N23 | 120.6° | 120.6° |
| C18 | C21 | H21 | 119.7° | 119.7° |
| C21 | N23 | C24 | 121.7° | 121.9° |
| N23 | C21 | H21 | 119.7° | 119.8° |
| C22 | C24 | N23 | 121.3° | 121.1° |
| C24 | C22 | H22 | 120.4° | 120.4° |
| C22 | C24 | H24 | 119.3° | 119.4° |
| N23 | C24 | H24 | 119.3° | 119.5° |
| C9 | N14 | HN14 | 120.1° | 120.0° |
| N14 | C9 | H9 | 109.7° | 109.5° |
| N14 | C9 | H9A | 109.9° | 109.5° |
| C3 | C1 | C2 | 111.0° | 109.5° |
| C3 | C1 | H1 | 109.1° | 109.5° |
| C2 | C1 | H1 | 107.3° | 109.4° |
| C12 | C16 | H16 | 120.1° | 120.0° |
| C16 | C12 | H12 | 120.0° | 120.0° |
| H4 | C4 | H4A | 109.7° | 109.5° |
| H9 | C9 | H9A | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C4 | C1 | H4 | 120.0° | 120.0° |
| C9 | C4 | C1 | H4A | 119.9° | 120.0° |
| C4 | C9 | N14 | C17 | 123.3° | 180.0° |
| C4 | C9 | N14 | H9 | 120.0° | 120.0° |
| C4 | C9 | N14 | H9A | 120.3° | 120.0° |
| C9 | C4 | C1 | C3 | 166.9° | 175.0° |
| C9 | C4 | C1 | C2 | 44.0° | 65.0° |
| C9 | C4 | H4 | H4A | 119.9° | 120.0° |
| C4 | C9 | N14 | HN14 | 56.8° | 0.0° |
| C4 | C9 | H9 | H9A | 120.3° | 120.0° |
| C9 | C4 | C1 | H1 | 73.9° | 55.0° |
| C4 | C1 | C2 | C5 | 57.1° | 127.7° |
| C4 | C1 | C2 | C6 | 123.1° | 52.3° |
| C4 | C1 | C3 | C7 | 179.2° | 128.1° |
| C4 | C1 | C3 | C8 | 1.1° | 52.0° |
| C1 | C4 | C9 | N14 | 163.0° | 180.0° |
| C4 | C1 | C3 | C2 | 122.9° | 120.0° |
| C4 | C1 | C3 | H1 | 119.1° | 120.0° |
| C4 | C1 | C2 | H1 | 119.0° | 120.0° |
| C1 | C4 | H4 | H4A | 119.8° | 120.0° |
| C1 | C4 | C9 | H9 | 77.0° | 60.0° |
| C1 | C4 | C9 | H9A | 42.7° | 60.0° |
| C10 | C5 | C2 | H5 | 180.0° | 179.8° |
| C10 | C5 | C2 | C6 | 0.2° | 0.0° |
| C5 | C10 | C15 | H10 | 180.0° | 180.0° |
| C5 | C10 | C15 | C11 | 0.1° | 0.0° |
| C10 | C5 | C2 | C1 | 180.0° | 180.0° |
| C5 | C10 | C15 | H15 | 179.9° | 180.0° |
| C5 | C2 | C6 | C1 | 179.8° | 180.0° |
| C5 | C2 | C6 | C11 | 0.1° | 0.0° |
| C2 | C5 | C10 | C15 | 0.1° | 0.0° |
| C5 | C2 | C1 | C3 | 64.7° | 112.3° |
| C5 | C2 | C6 | H6 | 179.9° | 179.9° |
| C2 | C5 | C10 | H10 | 179.9° | 180.0° |
| C5 | C2 | C1 | H1 | 176.1° | 7.7° |
| C2 | C6 | C11 | H6 | 180.0° | 179.9° |
| C2 | C6 | C11 | C15 | 0.1° | 0.0° |
| C6 | C2 | C1 | C3 | 115.0° | 67.7° |
| C6 | C2 | C5 | H5 | 179.8° | 179.8° |
| C6 | C2 | C1 | H1 | 4.1° | 172.3° |
| C2 | C6 | C11 | H11 | 179.9° | 179.9° |
| C6 | C11 | C15 | C10 | 0.2° | 0.0° |
| C6 | C11 | C15 | H11 | 180.0° | 179.9° |
| C11 | C6 | C2 | C1 | 179.9° | 180.0° |
| C6 | C11 | C15 | H15 | 179.8° | 180.0° |
| C3 | C7 | C12 | H7 | 180.0° | 179.7° |
| C7 | C3 | C8 | C13 | 0.5° | 0.0° |
| C7 | C3 | C8 | C1 | 179.7° | 180.0° |
| C7 | C3 | C1 | C2 | 57.9° | 111.9° |
| C3 | C7 | C12 | C16 | 0.3° | 0.1° |
| C7 | C3 | C8 | H8 | 179.5° | 180.0° |
| C7 | C3 | C1 | H1 | 60.1° | 8.0° |
| C3 | C7 | C12 | H12 | 179.7° | 180.0° |
| C12 | C7 | C3 | C8 | 0.4° | 0.1° |
| C7 | C12 | C16 | C13 | 0.2° | 0.1° |
| C12 | C7 | C3 | C1 | 179.9° | 180.0° |
| C7 | C12 | C16 | H12 | 180.0° | 179.9° |
| C7 | C12 | C16 | H16 | 179.8° | 179.9° |
| C13 | C8 | C3 | H8 | 180.0° | 180.0° |
| C8 | C13 | C16 | H13 | 180.0° | 179.9° |
| C13 | C8 | C3 | C1 | 179.9° | 180.0° |
| C8 | C13 | C16 | C12 | 0.3° | 0.1° |
| C8 | C13 | C16 | H16 | 179.7° | 180.0° |
| C3 | C8 | C13 | C16 | 0.4° | 0.0° |
| C8 | C3 | C1 | C2 | 121.7° | 68.1° |
| C8 | C3 | C7 | H7 | 179.6° | 179.7° |
| C3 | C8 | C13 | H13 | 179.6° | 179.9° |
| C8 | C3 | C1 | H1 | 120.3° | 172.0° |
| C10 | C15 | C11 | H15 | 180.0° | 180.0° |
| C15 | C10 | C5 | H5 | 179.9° | 179.8° |
| C10 | C15 | C11 | H11 | 179.8° | 179.9° |
| C13 | C16 | C12 | H16 | 180.0° | 179.9° |
| C16 | C13 | C8 | H8 | 179.6° | 180.0° |
| C13 | C16 | C12 | H12 | 179.8° | 180.0° |
| C15 | C11 | C6 | H6 | 179.9° | 179.9° |
| C11 | C15 | C10 | H10 | 179.9° | 180.0° |
| O19 | C17 | C18 | N14 | 180.0° | 179.9° |
| O19 | C17 | C18 | C20 | 1.5° | 0.1° |
| O19 | C17 | C18 | C21 | 179.0° | 180.0° |
| O19 | C17 | N14 | C9 | 0.3° | 0.1° |
| O19 | C17 | N14 | HN14 | 179.7° | 180.0° |
| C17 | C18 | C20 | C22 | 179.7° | 180.0° |
| C17 | C18 | C20 | C21 | 179.5° | 180.0° |
| C17 | C18 | C21 | N23 | 179.7° | 180.0° |
| C18 | C17 | N14 | C9 | 179.7° | 180.0° |
| C17 | C18 | C20 | H20 | 0.3° | 0.2° |
| C17 | C18 | C21 | H21 | 0.3° | 0.0° |
| C18 | C17 | N14 | HN14 | 0.3° | 0.0° |
| N14 | C17 | C18 | C20 | 178.5° | 180.0° |
| N14 | C17 | C18 | C21 | 1.0° | 0.1° |
| C17 | N14 | C9 | HN14 | 180.0° | 180.0° |
| C17 | N14 | C9 | H9 | 3.3° | 60.0° |
| C17 | N14 | C9 | H9A | 116.4° | 60.0° |
| C22 | C20 | C18 | H20 | 180.0° | 179.8° |
| C22 | C20 | C18 | C21 | 0.2° | 0.0° |
| C20 | C22 | C24 | H22 | 180.0° | 179.9° |
| C20 | C22 | C24 | N23 | 0.1° | 0.1° |
| C20 | C22 | C24 | H24 | 179.9° | 180.0° |
| C20 | C18 | C21 | N23 | 0.2° | 0.0° |
| C18 | C20 | C22 | C24 | 0.1° | 0.1° |
| C20 | C18 | C21 | H21 | 179.7° | 180.0° |
| C18 | C20 | C22 | H22 | 179.9° | 180.0° |
| C18 | C21 | N23 | H21 | 180.0° | 180.0° |
| C18 | C21 | N23 | C24 | 0.0° | 0.0° |
| C21 | C18 | C20 | H20 | 179.8° | 179.7° |
| C21 | N23 | C24 | C22 | 0.1° | 0.0° |
| C21 | N23 | C24 | H24 | 179.8° | 180.0° |
| C22 | C24 | N23 | H24 | 180.0° | 179.9° |
| C24 | C22 | C20 | H20 | 179.9° | 179.7° |
| C24 | N23 | C21 | H21 | 179.9° | 180.0° |
| N23 | C24 | C22 | H22 | 179.9° | 180.0° |
| N14 | C9 | C4 | H4 | 76.9° | 60.0° |
| N14 | C9 | C4 | H4A | 43.2° | 60.0° |
| N14 | C9 | H9 | H9A | 120.3° | 120.0° |
| C3 | C1 | C2 | H1 | 119.1° | 120.0° |
| C3 | C1 | C4 | H4 | 46.9° | 55.0° |
| C3 | C1 | C4 | H4A | 73.3° | 65.0° |
| C1 | C3 | C7 | H7 | 0.1° | 0.3° |
| C1 | C3 | C8 | H8 | 0.1° | 0.0° |
| C2 | C1 | C4 | H4 | 76.0° | 175.0° |
| C2 | C1 | C4 | H4A | 163.9° | 55.0° |
| C1 | C2 | C5 | H5 | 0.0° | 0.2° |
| C1 | C2 | C6 | H6 | 0.1° | 0.1° |
| C16 | C12 | C7 | H7 | 179.7° | 179.6° |
| C12 | C16 | C13 | H13 | 179.7° | 179.9° |
| H4 | C4 | C9 | H9 | 43.0° | 60.0° |
| H4 | C4 | C9 | H9A | 162.7° | 180.0° |
| H4 | C4 | C1 | H1 | 166.1° | 65.0° |
| H4A | C4 | C9 | H9 | 163.2° | 180.0° |
| H4A | C4 | C9 | H9A | 77.1° | 60.0° |
| H4A | C4 | C1 | H1 | 45.9° | 175.0° |
| H5 | C5 | C10 | H10 | 0.1° | 0.3° |
| H6 | C6 | C11 | H11 | 0.1° | 0.0° |
| H7 | C7 | C12 | H12 | 0.3° | 0.3° |
| H8 | C8 | C13 | H13 | 0.4° | 0.1° |
| H10 | C10 | C15 | H15 | 0.1° | 0.0° |
| H13 | C13 | C16 | H16 | 0.3° | 0.1° |
| H15 | C15 | C11 | H11 | 0.2° | 0.1° |
| H20 | C20 | C22 | H22 | 0.1° | 0.2° |
| H22 | C22 | C24 | H24 | 0.2° | 0.0° |
| HN14 | N14 | C9 | H9 | 176.7° | 120.0° |
| HN14 | N14 | C9 | H9A | 63.6° | 120.0° |
| H16 | C16 | C12 | H12 | 0.2° | 0.1° |
