N09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C1 | sing | 1.74Å | 1.80Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.49Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.37Å | |
| O1 | C8 | sing | 1.43Å | 1.43Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | N2 | sing | 1.46Å | 1.47Å | |
| N3 | N2 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C16 | doub | 1.31Å | 1.37Å | Aromatic |
| N2 | C18 | sing | 1.34Å | 1.35Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.46Å | 1.40Å | |
| C18 | C17 | doub | 1.42Å | 1.47Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.47Å | 1.49Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | O3 | sing | 1.35Å | 1.39Å | |
| C22 | O3 | sing | 1.36Å | 1.38Å | |
| C22 | O4 | doub | 1.22Å | 1.26Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C1 | C2 | 121.1° | 120.0° |
| CL | C1 | C6 | 120.7° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.1° |
| C2 | C1 | C6 | 118.2° | 120.1° |
| C1 | C2 | H10 | 120.0° | 120.0° |
| C2 | C3 | C4 | 122.9° | 120.0° |
| C2 | C3 | H9 | 118.6° | 120.0° |
| C3 | C2 | H10 | 120.0° | 119.9° |
| C1 | C6 | O1 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C3 | C4 | C5 | 118.9° | 120.0° |
| C3 | C4 | N1 | 118.6° | 120.0° |
| C4 | C3 | H9 | 118.5° | 119.9° |
| O1 | C6 | C5 | 120.5° | 120.0° |
| C6 | O1 | C8 | 117.4° | 117.0° |
| C6 | C5 | C4 | 120.6° | 119.9° |
| C6 | C5 | H11 | 119.7° | 120.1° |
| C5 | C4 | N1 | 122.4° | 120.0° |
| C4 | C5 | H11 | 119.7° | 120.1° |
| C4 | N1 | C11 | 125.1° | 120.0° |
| C4 | N1 | H8 | 117.5° | 119.9° |
| O1 | C8 | H12 | 109.5° | 109.5° |
| O1 | C8 | H13 | 109.5° | 109.5° |
| O1 | C8 | H14 | 109.4° | 109.5° |
| N1 | C11 | C13 | 117.9° | 120.0° |
| N1 | C11 | O2 | 124.5° | 120.0° |
| C11 | N1 | H8 | 117.5° | 120.0° |
| C13 | C11 | O2 | 117.5° | 120.0° |
| C11 | C13 | N2 | 108.4° | 109.5° |
| C11 | C13 | H6 | 109.7° | 109.4° |
| C11 | C13 | H7 | 109.7° | 109.4° |
| C13 | N2 | N3 | 113.0° | 125.9° |
| C13 | N2 | C18 | 136.6° | 125.9° |
| N2 | C13 | H6 | 109.7° | 109.5° |
| N2 | C13 | H7 | 109.7° | 109.5° |
| N2 | N3 | C16 | 111.0° | 109.4° |
| N3 | N2 | C18 | 110.4° | 108.2° |
| N3 | C16 | C17 | 104.3° | 108.2° |
| N3 | C16 | H1 | 127.9° | 125.9° |
| N2 | C18 | C19 | 133.4° | 134.7° |
| N2 | C18 | C17 | 104.4° | 107.0° |
| C24 | C23 | C19 | 121.0° | 119.6° |
| C23 | C24 | C25 | 119.2° | 120.0° |
| C23 | C24 | H4 | 120.4° | 120.0° |
| C24 | C23 | H5 | 119.5° | 120.2° |
| C23 | C19 | C18 | 122.5° | 122.4° |
| C23 | C19 | C20 | 119.5° | 120.6° |
| C19 | C23 | H5 | 119.5° | 120.2° |
| C16 | C17 | C18 | 109.9° | 107.2° |
| C16 | C17 | C22 | 133.4° | 134.0° |
| C17 | C16 | H1 | 127.9° | 125.9° |
| C19 | C18 | C17 | 122.2° | 118.3° |
| C18 | C19 | C20 | 118.0° | 117.0° |
| C18 | C17 | C22 | 116.6° | 118.8° |
| C24 | C25 | C26 | 120.3° | 120.8° |
| C24 | C25 | H3 | 119.8° | 119.6° |
| C25 | C24 | H4 | 120.4° | 120.0° |
| C19 | C20 | C26 | 119.0° | 118.6° |
| C19 | C20 | O3 | 122.1° | 121.5° |
| C17 | C22 | O3 | 118.4° | 116.1° |
| C17 | C22 | O4 | 119.9° | 122.0° |
| C25 | C26 | C20 | 120.9° | 120.3° |
| C25 | C26 | H2 | 119.5° | 119.8° |
| C26 | C25 | H3 | 119.9° | 119.6° |
| C26 | C20 | O3 | 118.9° | 119.8° |
| C20 | C26 | H2 | 119.5° | 119.9° |
| C20 | O3 | C22 | 122.6° | 119.7° |
| O3 | C22 | O4 | 121.7° | 122.0° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C1 | C2 | C6 | 179.3° | 179.7° |
| CL | C1 | C2 | C3 | 179.3° | 180.0° |
| CL | C1 | C6 | O1 | 1.2° | 0.3° |
| CL | C1 | C6 | C5 | 179.5° | 179.8° |
| CL | C1 | C2 | H10 | 0.7° | 0.0° |
| C1 | C2 | C3 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C6 | O1 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.5° |
| C1 | C2 | C3 | H9 | 179.2° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C2 | C3 | C4 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.1° |
| C2 | C3 | C4 | N1 | 179.3° | 179.7° |
| C1 | C6 | O1 | C5 | 179.3° | 179.5° |
| C1 | C6 | C5 | C4 | 0.5° | 0.4° |
| C1 | C6 | O1 | C8 | 92.1° | 179.5° |
| C6 | C1 | C2 | H10 | 180.0° | 179.8° |
| C1 | C6 | C5 | H11 | 179.5° | 179.4° |
| C3 | C4 | C5 | C6 | 1.3° | 0.2° |
| C3 | C4 | C5 | N1 | 177.7° | 179.8° |
| C3 | C4 | N1 | C11 | 155.1° | 35.3° |
| C3 | C4 | N1 | H8 | 24.9° | 144.7° |
| C4 | C3 | C2 | H10 | 179.1° | 180.0° |
| C3 | C4 | C5 | H11 | 178.7° | 179.7° |
| O1 | C6 | C5 | C4 | 178.8° | 180.0° |
| O1 | C6 | C5 | H11 | 1.2° | 0.1° |
| C6 | O1 | C8 | H12 | 180.0° | 180.0° |
| C6 | O1 | C8 | H13 | 60.0° | 60.0° |
| C6 | O1 | C8 | H14 | 60.0° | 60.0° |
| C6 | C5 | C4 | H11 | 180.0° | 179.9° |
| C6 | C5 | C4 | N1 | 179.1° | 180.0° |
| C5 | C6 | O1 | C8 | 87.2° | 0.0° |
| C5 | C4 | N1 | C11 | 27.2° | 144.9° |
| C5 | C4 | N1 | H8 | 152.8° | 35.1° |
| C5 | C4 | C3 | H9 | 178.5° | 179.9° |
| C4 | N1 | C11 | H8 | 180.0° | 180.0° |
| C4 | N1 | C11 | C13 | 164.1° | 175.3° |
| C4 | N1 | C11 | O2 | 16.8° | 4.6° |
| N1 | C4 | C3 | H9 | 0.7° | 0.3° |
| N1 | C4 | C5 | H11 | 0.9° | 0.1° |
| O1 | C8 | H12 | H13 | 120.0° | 120.1° |
| O1 | C8 | H12 | H14 | 120.0° | 120.0° |
| O1 | C8 | H13 | H14 | 120.0° | 120.0° |
| N1 | C11 | C13 | O2 | 179.2° | 180.0° |
| N1 | C11 | C13 | N2 | 176.7° | 180.0° |
| N1 | C11 | C13 | H6 | 63.5° | 60.0° |
| N1 | C11 | C13 | H7 | 56.8° | 60.0° |
| C11 | C13 | N2 | H6 | 119.8° | 120.0° |
| C11 | C13 | N2 | H7 | 119.9° | 120.0° |
| C11 | C13 | N2 | N3 | 112.1° | 90.1° |
| C11 | C13 | N2 | C18 | 68.2° | 90.1° |
| C11 | C13 | H6 | H7 | 120.5° | 120.0° |
| C13 | C11 | N1 | H8 | 15.9° | 4.6° |
| O2 | C11 | C13 | N2 | 2.5° | 0.0° |
| O2 | C11 | C13 | H6 | 117.4° | 120.0° |
| O2 | C11 | C13 | H7 | 122.3° | 120.0° |
| O2 | C11 | N1 | H8 | 163.2° | 175.4° |
| C13 | N2 | N3 | C18 | 179.8° | 179.9° |
| C13 | N2 | N3 | C16 | 180.0° | 179.8° |
| C13 | N2 | C18 | C19 | 0.8° | 0.2° |
| C13 | N2 | C18 | C17 | 180.0° | 179.7° |
| N2 | C13 | H6 | H7 | 120.5° | 120.1° |
| N2 | N3 | C16 | C17 | 0.0° | 0.0° |
| N3 | N2 | C18 | C19 | 179.5° | 179.6° |
| N3 | N2 | C18 | C17 | 0.3° | 0.2° |
| N2 | N3 | C16 | H1 | 180.0° | 180.0° |
| N3 | N2 | C13 | H6 | 7.7° | 150.0° |
| N3 | N2 | C13 | H7 | 128.0° | 29.9° |
| C16 | N3 | N2 | C18 | 0.2° | 0.1° |
| N3 | C16 | C17 | H1 | 180.0° | 180.0° |
| N3 | C16 | C17 | C18 | 0.1° | 0.1° |
| N3 | C16 | C17 | C22 | 179.6° | 179.9° |
| N2 | C18 | C19 | C23 | 1.0° | 11.3° |
| N2 | C18 | C17 | C16 | 0.2° | 0.2° |
| N2 | C18 | C19 | C17 | 179.1° | 179.4° |
| N2 | C18 | C19 | C20 | 179.5° | 170.4° |
| N2 | C18 | C17 | C22 | 179.6° | 179.8° |
| C18 | N2 | C13 | H6 | 172.0° | 29.9° |
| C18 | N2 | C13 | H7 | 51.7° | 150.0° |
| C24 | C23 | C19 | H5 | 180.0° | 180.0° |
| C24 | C23 | C19 | C18 | 179.7° | 177.3° |
| C23 | C24 | C25 | H4 | 180.0° | 179.9° |
| C24 | C23 | C19 | C20 | 0.1° | 0.9° |
| C23 | C24 | C25 | C26 | 1.1° | 0.4° |
| C23 | C24 | C25 | H3 | 178.9° | 179.6° |
| C23 | C19 | C18 | C20 | 179.6° | 178.3° |
| C23 | C19 | C18 | C17 | 179.9° | 169.3° |
| C19 | C23 | C24 | C25 | 0.6° | 0.2° |
| C23 | C19 | C20 | C26 | 0.2° | 1.1° |
| C23 | C19 | C20 | O3 | 179.6° | 178.2° |
| C19 | C23 | C24 | H4 | 179.4° | 179.9° |
| C16 | C17 | C18 | C19 | 179.6° | 179.8° |
| C16 | C17 | C18 | C22 | 179.8° | 180.0° |
| C16 | C17 | C22 | O3 | 180.0° | 158.0° |
| C16 | C17 | C22 | O4 | 0.4° | 22.2° |
| C19 | C18 | C17 | C22 | 0.2° | 0.2° |
| C18 | C19 | C20 | C26 | 179.8° | 177.2° |
| C18 | C19 | C20 | O3 | 0.0° | 3.5° |
| C18 | C19 | C23 | H5 | 0.3° | 2.6° |
| C17 | C18 | C19 | C20 | 0.4° | 9.0° |
| C18 | C17 | C22 | O3 | 0.2° | 22.0° |
| C18 | C17 | C22 | O4 | 179.8° | 157.8° |
| C18 | C17 | C16 | H1 | 179.9° | 179.9° |
| C24 | C25 | C26 | H3 | 180.0° | 180.0° |
| C24 | C25 | C26 | C20 | 1.0° | 0.2° |
| C24 | C25 | C26 | H2 | 179.1° | 179.8° |
| C25 | C24 | C23 | H5 | 179.5° | 179.8° |
| C19 | C20 | C26 | C25 | 0.3° | 0.5° |
| C19 | C20 | C26 | O3 | 179.8° | 179.3° |
| C19 | C20 | O3 | C22 | 0.4° | 26.9° |
| C19 | C20 | C26 | H2 | 179.7° | 179.5° |
| C20 | C19 | C23 | H5 | 179.9° | 179.1° |
| C17 | C22 | O3 | C20 | 0.5° | 35.5° |
| C17 | C22 | O3 | O4 | 179.6° | 179.8° |
| C22 | C17 | C16 | H1 | 0.4° | 0.1° |
| C25 | C26 | C20 | H2 | 180.0° | 179.9° |
| C25 | C26 | C20 | O3 | 179.8° | 178.7° |
| C26 | C25 | C24 | H4 | 178.9° | 179.6° |
| C26 | C20 | O3 | C22 | 179.7° | 153.8° |
| C20 | C26 | C25 | H3 | 179.0° | 179.8° |
| C20 | O3 | C22 | O4 | 179.9° | 144.2° |
| O3 | C20 | C26 | H2 | 0.1° | 1.2° |
| H2 | C26 | C25 | H3 | 1.0° | 0.3° |
| H3 | C25 | C24 | H4 | 1.1° | 0.5° |
| H4 | C24 | C23 | H5 | 0.5° | 0.1° |
| H9 | C3 | C2 | H10 | 0.9° | 0.0° |
| H12 | C8 | H13 | H14 | 120.0° | 119.9° |
