N17
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.36Å | |
| O2 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.36Å | |
| N2 | C9 | sing | 1.35Å | 1.33Å | |
| O1 | C9 | doub | 1.22Å | 1.22Å | |
| C9 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.34Å | |
| C3 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| N1 | C22 | sing | 1.36Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | N4 | sing | 1.34Å | 1.35Å | Aromatic |
| C22 | N4 | doub | 1.31Å | 1.36Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C16 | C15 | 120.5° | 120.8° |
| C16 | N3 | C17 | 122.0° | 121.9° |
| N3 | C16 | H17 | 119.8° | 119.6° |
| C16 | C15 | C14 | 118.5° | 119.1° |
| C15 | C16 | H17 | 119.7° | 119.6° |
| C16 | C15 | H18 | 120.8° | 120.5° |
| N3 | C17 | C18 | 120.2° | 120.9° |
| N3 | C17 | H16 | 119.9° | 119.6° |
| C17 | C18 | C14 | 118.9° | 119.1° |
| C17 | C18 | H15 | 120.5° | 120.5° |
| C18 | C17 | H16 | 119.9° | 119.6° |
| C15 | C14 | C18 | 119.9° | 118.3° |
| C15 | C14 | O2 | 119.0° | 120.9° |
| C14 | C15 | H18 | 120.8° | 120.5° |
| C18 | C14 | O2 | 121.0° | 120.8° |
| C14 | C18 | H15 | 120.5° | 120.4° |
| C14 | O2 | C13 | 123.8° | 118.0° |
| O2 | C13 | C12 | 119.6° | 120.0° |
| O2 | C13 | C19 | 120.7° | 120.0° |
| C12 | C13 | C19 | 119.7° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | H13 | 119.9° | 120.0° |
| C13 | C19 | C20 | 119.5° | 120.0° |
| C13 | C19 | H12 | 120.2° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C11 | C12 | H13 | 119.9° | 120.0° |
| C12 | C11 | H14 | 119.6° | 120.0° |
| C19 | C20 | C10 | 121.5° | 120.0° |
| C19 | C20 | H11 | 119.3° | 120.0° |
| C20 | C19 | H12 | 120.2° | 120.0° |
| C11 | C10 | C20 | 118.1° | 120.0° |
| C11 | C10 | N2 | 119.0° | 120.0° |
| C10 | C11 | H14 | 119.6° | 120.0° |
| C20 | C10 | N2 | 122.8° | 120.0° |
| C10 | C20 | H11 | 119.2° | 120.0° |
| C10 | N2 | C9 | 125.3° | 120.0° |
| C10 | N2 | H10 | 117.3° | 120.0° |
| N2 | C9 | O1 | 122.7° | 120.0° |
| N2 | C9 | C8 | 119.8° | 120.0° |
| C9 | N2 | H10 | 117.3° | 120.0° |
| O1 | C9 | C8 | 117.4° | 120.0° |
| C9 | C8 | C7 | 119.1° | 120.1° |
| C9 | C8 | C21 | 121.9° | 120.1° |
| C7 | C8 | C21 | 118.9° | 119.8° |
| C8 | C7 | C6 | 120.0° | 120.0° |
| C8 | C7 | H1 | 120.0° | 120.0° |
| C8 | C21 | C4 | 122.8° | 119.8° |
| C8 | C21 | H4 | 118.6° | 120.1° |
| C7 | C6 | C5 | 120.0° | 120.2° |
| C6 | C7 | H1 | 120.0° | 119.9° |
| C7 | C6 | H2 | 120.0° | 120.0° |
| C21 | C4 | C5 | 116.0° | 120.0° |
| C21 | C4 | N1 | 121.1° | 120.0° |
| C4 | C21 | H4 | 118.5° | 120.1° |
| C6 | C5 | C4 | 122.2° | 120.2° |
| C5 | C6 | H2 | 120.0° | 119.9° |
| C6 | C5 | H3 | 118.9° | 119.9° |
| C5 | C4 | N1 | 122.9° | 120.0° |
| C4 | C5 | H3 | 118.9° | 119.9° |
| C4 | N1 | C3 | 120.4° | 126.5° |
| C4 | N1 | C22 | 124.1° | 126.5° |
| N1 | C3 | C2 | 101.1° | 106.8° |
| C3 | N1 | C22 | 115.5° | 107.1° |
| N1 | C3 | H5 | 129.5° | 126.5° |
| C3 | C2 | C1 | 114.1° | 125.9° |
| C3 | C2 | N4 | 111.9° | 108.2° |
| C2 | C3 | H5 | 129.5° | 126.6° |
| N1 | C22 | N4 | 104.6° | 108.6° |
| N1 | C22 | H6 | 127.7° | 125.8° |
| C1 | C2 | N4 | 134.1° | 125.9° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | N4 | C22 | 106.9° | 109.4° |
| N4 | C22 | H6 | 127.7° | 125.7° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C16 | C15 | H17 | 180.0° | 179.7° |
| C16 | N3 | C17 | C18 | 0.8° | 0.1° |
| N3 | C16 | C15 | C14 | 0.5° | 0.5° |
| C16 | N3 | C17 | H16 | 179.2° | 180.0° |
| N3 | C16 | C15 | H18 | 179.5° | 180.0° |
| C15 | C16 | N3 | C17 | 0.0° | 0.3° |
| C16 | C15 | C14 | H18 | 180.0° | 179.5° |
| C16 | C15 | C14 | C18 | 0.2° | 0.5° |
| C16 | C15 | C14 | O2 | 179.6° | 179.8° |
| N3 | C17 | C18 | H16 | 180.0° | 179.9° |
| N3 | C17 | C18 | C14 | 1.0° | 0.1° |
| N3 | C17 | C18 | H15 | 179.0° | 180.0° |
| C17 | N3 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C14 | C15 | 0.5° | 0.3° |
| C17 | C18 | C14 | H15 | 180.0° | 179.9° |
| C17 | C18 | C14 | O2 | 179.7° | 180.0° |
| C15 | C14 | C18 | O2 | 179.8° | 179.8° |
| C15 | C14 | O2 | C13 | 155.3° | 6.5° |
| C15 | C14 | C18 | H15 | 179.5° | 179.8° |
| C14 | C15 | C16 | H17 | 179.5° | 179.8° |
| C18 | C14 | O2 | C13 | 24.9° | 173.8° |
| C14 | C18 | C17 | H16 | 179.0° | 180.0° |
| C18 | C14 | C15 | H18 | 179.8° | 180.0° |
| C14 | O2 | C13 | C12 | 112.0° | 69.8° |
| C14 | O2 | C13 | C19 | 70.2° | 110.5° |
| O2 | C14 | C18 | H15 | 0.3° | 0.1° |
| O2 | C14 | C15 | H18 | 0.4° | 0.3° |
| O2 | C13 | C12 | C19 | 177.9° | 179.7° |
| O2 | C13 | C12 | C11 | 179.1° | 180.0° |
| O2 | C13 | C19 | C20 | 178.5° | 179.7° |
| O2 | C13 | C19 | H12 | 1.5° | 0.3° |
| O2 | C13 | C12 | H13 | 0.9° | 0.3° |
| C13 | C12 | C11 | H13 | 180.0° | 179.8° |
| C12 | C13 | C19 | C20 | 0.6° | 0.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.5° |
| C12 | C13 | C19 | H12 | 179.4° | 180.0° |
| C13 | C12 | C11 | H14 | 179.9° | 179.9° |
| C19 | C13 | C12 | C11 | 1.2° | 0.3° |
| C13 | C19 | C20 | H12 | 180.0° | 180.0° |
| C13 | C19 | C20 | C10 | 1.2° | 0.1° |
| C13 | C19 | C20 | H11 | 178.8° | 180.0° |
| C19 | C13 | C12 | H13 | 178.8° | 180.0° |
| C12 | C11 | C10 | H14 | 180.0° | 179.6° |
| C12 | C11 | C10 | C20 | 1.6° | 0.4° |
| C12 | C11 | C10 | N2 | 179.0° | 179.7° |
| C19 | C20 | C10 | C11 | 2.3° | 0.2° |
| C19 | C20 | C10 | H11 | 180.0° | 180.0° |
| C19 | C20 | C10 | N2 | 179.5° | 180.0° |
| C11 | C10 | C20 | N2 | 177.2° | 179.8° |
| C11 | C10 | N2 | C9 | 149.6° | 150.2° |
| C11 | C10 | N2 | H10 | 30.4° | 29.9° |
| C11 | C10 | C20 | H11 | 177.7° | 179.8° |
| C10 | C11 | C12 | H13 | 179.9° | 179.8° |
| C20 | C10 | N2 | C9 | 33.2° | 30.0° |
| C20 | C10 | N2 | H10 | 146.8° | 149.9° |
| C10 | C20 | C19 | H12 | 178.8° | 179.9° |
| C20 | C10 | C11 | H14 | 178.4° | 180.0° |
| C10 | N2 | C9 | H10 | 180.0° | 179.9° |
| C10 | N2 | C9 | O1 | 3.4° | 7.1° |
| C10 | N2 | C9 | C8 | 177.9° | 172.6° |
| N2 | C10 | C20 | H11 | 0.5° | 0.0° |
| N2 | C10 | C11 | H14 | 1.0° | 0.2° |
| N2 | C9 | O1 | C8 | 178.7° | 179.7° |
| N2 | C9 | C8 | C7 | 142.8° | 0.3° |
| N2 | C9 | C8 | C21 | 36.6° | 180.0° |
| O1 | C9 | C8 | C7 | 35.9° | 180.0° |
| O1 | C9 | C8 | C21 | 144.7° | 0.3° |
| O1 | C9 | N2 | H10 | 176.6° | 172.8° |
| C9 | C8 | C7 | C21 | 179.4° | 179.7° |
| C9 | C8 | C7 | C6 | 180.0° | 180.0° |
| C9 | C8 | C21 | C4 | 179.7° | 179.7° |
| C9 | C8 | C7 | H1 | 0.1° | 0.0° |
| C9 | C8 | C21 | H4 | 0.3° | 0.1° |
| C8 | C9 | N2 | H10 | 2.1° | 7.5° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C7 | C8 | C21 | C4 | 0.9° | 0.6° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H2 | 179.7° | 179.9° |
| C7 | C8 | C21 | H4 | 179.0° | 179.8° |
| C21 | C8 | C7 | C6 | 0.6° | 0.3° |
| C8 | C21 | C4 | H4 | 180.0° | 179.7° |
| C8 | C21 | C4 | C5 | 0.5° | 0.6° |
| C8 | C21 | C4 | N1 | 179.6° | 180.0° |
| C21 | C8 | C7 | H1 | 179.5° | 179.7° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.8° | 0.0° |
| C7 | C6 | C5 | H3 | 179.2° | 180.0° |
| C21 | C4 | C5 | C6 | 0.4° | 0.3° |
| C21 | C4 | C5 | N1 | 180.0° | 179.4° |
| C21 | C4 | N1 | C3 | 0.7° | 179.7° |
| C21 | C4 | N1 | C22 | 179.3° | 0.0° |
| C21 | C4 | C5 | H3 | 179.6° | 179.7° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | N1 | 179.6° | 179.7° |
| C5 | C6 | C7 | H1 | 179.7° | 180.0° |
| C5 | C4 | N1 | C3 | 179.3° | 0.3° |
| C5 | C4 | N1 | C22 | 0.6° | 179.4° |
| C4 | C5 | C6 | H2 | 179.3° | 180.0° |
| C5 | C4 | C21 | H4 | 179.5° | 179.7° |
| C4 | N1 | C3 | C22 | 179.9° | 179.8° |
| C4 | N1 | C3 | C2 | 179.7° | 180.0° |
| C4 | N1 | C22 | N4 | 179.4° | 180.0° |
| N1 | C4 | C5 | H3 | 0.5° | 0.3° |
| N1 | C4 | C21 | H4 | 0.4° | 0.3° |
| C4 | N1 | C3 | H5 | 0.3° | 0.0° |
| C4 | N1 | C22 | H6 | 0.5° | 0.0° |
| N1 | C3 | C2 | H5 | 180.0° | 180.0° |
| N1 | C3 | C2 | C1 | 179.9° | 179.9° |
| N1 | C3 | C2 | N4 | 0.1° | 0.1° |
| C3 | N1 | C22 | N4 | 0.5° | 0.2° |
| C3 | N1 | C22 | H6 | 179.5° | 179.8° |
| C2 | C3 | N1 | C22 | 0.2° | 0.2° |
| C3 | C2 | C1 | N4 | 179.8° | 180.0° |
| C3 | C2 | N4 | C22 | 0.4° | 0.1° |
| C3 | C2 | C1 | H7 | 179.7° | 90.0° |
| C3 | C2 | C1 | H8 | 60.3° | 149.9° |
| C3 | C2 | C1 | H9 | 59.8° | 29.9° |
| N1 | C22 | N4 | C2 | 0.5° | 0.2° |
| N1 | C22 | N4 | H6 | 180.0° | 180.0° |
| C22 | N1 | C3 | H5 | 179.7° | 179.8° |
| C1 | C2 | N4 | C22 | 179.8° | 179.9° |
| C1 | C2 | C3 | H5 | 0.1° | 0.1° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| N4 | C2 | C3 | H5 | 179.9° | 179.9° |
| C2 | N4 | C22 | H6 | 179.5° | 179.8° |
| N4 | C2 | C1 | H7 | 0.0° | 89.9° |
| N4 | C2 | C1 | H8 | 120.0° | 30.1° |
| N4 | C2 | C1 | H9 | 120.0° | 150.1° |
| H1 | C7 | C6 | H2 | 0.3° | 0.0° |
| H2 | C6 | C5 | H3 | 0.8° | 0.1° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H11 | C20 | C19 | H12 | 1.1° | 0.0° |
| H13 | C12 | C11 | H14 | 0.1° | 0.2° |
| H15 | C18 | C17 | H16 | 1.0° | 0.1° |
| H17 | C16 | C15 | H18 | 0.5° | 0.3° |
