N9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N3 | sing | 1.47Å | 1.47Å | |
| C17 | N3 | sing | 1.47Å | 1.44Å | |
| C19 | C20 | sing | 1.51Å | 1.48Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| C20 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| C20 | N2 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.52Å | |
| C8 | N2 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.45Å | 1.42Å | Aromatic |
| N2 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C2 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | O2 | doub | 1.22Å | 1.25Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | O1 | sing | 1.41Å | 1.38Å | |
| C14 | C9 | doub | 1.42Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | N3 | 110.8° | 109.6° |
| C18 | C19 | C20 | 108.3° | 108.0° |
| C18 | C19 | H9 | 109.8° | 109.7° |
| C18 | C19 | H10 | 109.8° | 109.8° |
| C19 | C18 | H11 | 109.1° | 109.5° |
| C19 | C18 | H12 | 109.1° | 109.5° |
| C18 | N3 | C17 | 108.8° | 111.0° |
| C18 | N3 | C16 | 116.0° | 111.3° |
| N3 | C18 | H11 | 109.2° | 109.5° |
| N3 | C18 | H12 | 109.2° | 109.4° |
| C17 | N3 | C16 | 109.9° | 111.0° |
| N3 | C17 | H14 | 109.5° | 109.5° |
| N3 | C17 | H15 | 109.5° | 109.5° |
| N3 | C17 | H16 | 109.5° | 109.5° |
| C19 | C20 | C15 | 125.8° | 122.8° |
| C19 | C20 | N2 | 125.0° | 127.3° |
| C20 | C19 | H9 | 109.8° | 109.8° |
| C20 | C19 | H10 | 109.8° | 109.7° |
| N3 | C16 | C15 | 109.2° | 108.4° |
| N3 | C16 | H17 | 109.5° | 109.7° |
| N3 | C16 | H18 | 109.5° | 109.6° |
| C15 | C20 | N2 | 109.1° | 109.9° |
| C20 | C15 | C16 | 122.6° | 123.7° |
| C20 | C15 | C14 | 108.1° | 107.1° |
| C20 | N2 | C8 | 123.2° | 125.2° |
| C20 | N2 | C9 | 108.9° | 109.7° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C4 | C3 | C2 | 120.7° | 119.9° |
| C3 | C4 | H5 | 119.6° | 120.0° |
| C4 | C3 | H6 | 119.7° | 120.0° |
| C4 | C5 | C8 | 116.9° | 119.9° |
| C4 | C5 | C6 | 118.6° | 120.2° |
| C5 | C4 | H5 | 119.6° | 119.9° |
| C16 | C15 | C14 | 129.2° | 129.2° |
| C15 | C16 | H17 | 109.5° | 109.7° |
| C15 | C16 | H18 | 109.5° | 109.6° |
| C3 | C2 | C1 | 115.4° | 120.2° |
| C3 | C2 | C7 | 119.2° | 119.7° |
| C2 | C3 | H6 | 119.7° | 120.1° |
| C5 | C8 | N2 | 111.8° | 109.5° |
| C8 | C5 | C6 | 124.4° | 119.9° |
| C5 | C8 | H7 | 108.9° | 109.4° |
| C5 | C8 | H8 | 108.9° | 109.4° |
| C8 | N2 | C9 | 127.7° | 125.1° |
| N2 | C8 | H7 | 108.9° | 109.5° |
| N2 | C8 | H8 | 108.9° | 109.5° |
| C5 | C6 | C7 | 120.8° | 120.2° |
| C5 | C6 | H4 | 119.6° | 119.9° |
| C15 | C14 | C9 | 105.9° | 105.9° |
| C15 | C14 | C13 | 134.6° | 132.8° |
| N2 | C9 | C14 | 107.9° | 107.4° |
| N2 | C9 | C10 | 129.9° | 132.1° |
| C1 | C2 | C7 | 125.1° | 120.1° |
| C2 | C1 | O2 | 121.7° | 120.0° |
| C2 | C1 | N1 | 114.8° | 120.0° |
| C2 | C7 | C6 | 119.9° | 119.8° |
| C2 | C7 | H3 | 120.1° | 120.1° |
| O2 | C1 | N1 | 122.9° | 120.0° |
| C1 | N1 | O1 | 120.2° | 120.0° |
| C1 | N1 | H1 | 119.9° | 120.0° |
| C6 | C7 | H3 | 120.0° | 120.1° |
| C7 | C6 | H4 | 119.6° | 119.9° |
| O1 | N1 | H1 | 119.9° | 120.0° |
| N1 | O1 | H2 | 109.5° | 114.0° |
| C9 | C14 | C13 | 119.5° | 121.2° |
| C14 | C9 | C10 | 122.2° | 120.5° |
| C14 | C13 | C12 | 117.7° | 116.9° |
| C14 | C13 | H19 | 121.1° | 121.5° |
| C9 | C10 | C11 | 117.3° | 117.0° |
| C9 | C10 | H22 | 121.4° | 121.5° |
| C13 | C12 | C11 | 121.9° | 122.1° |
| C12 | C13 | H19 | 121.2° | 121.6° |
| C13 | C12 | H20 | 119.1° | 119.0° |
| C10 | C11 | C12 | 121.4° | 122.2° |
| C10 | C11 | H21 | 119.3° | 118.9° |
| C11 | C10 | H22 | 121.4° | 121.5° |
| C11 | C12 | H20 | 119.0° | 118.9° |
| C12 | C11 | H21 | 119.3° | 118.9° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.8° |
| H11 | C18 | H12 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H16 | 109.4° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | N3 | H11 | 120.2° | 120.1° |
| C19 | C18 | N3 | H12 | 120.2° | 120.1° |
| C19 | C18 | N3 | C17 | 61.4° | 164.5° |
| C18 | C19 | C20 | H9 | 119.8° | 119.6° |
| C18 | C19 | C20 | H10 | 119.8° | 119.7° |
| C19 | C18 | N3 | C16 | 63.0° | 71.4° |
| C18 | C19 | C20 | C15 | 16.1° | 16.0° |
| C18 | C19 | C20 | N2 | 161.9° | 163.8° |
| C18 | C19 | H9 | H10 | 120.5° | 120.8° |
| C19 | C18 | H11 | H12 | 119.4° | 119.9° |
| C18 | N3 | C17 | C16 | 128.0° | 124.3° |
| N3 | C18 | C19 | C20 | 43.6° | 49.4° |
| C18 | N3 | C16 | C15 | 45.3° | 51.2° |
| N3 | C18 | C19 | H9 | 163.4° | 169.0° |
| N3 | C18 | C19 | H10 | 76.2° | 70.2° |
| N3 | C18 | H11 | H12 | 119.4° | 119.9° |
| C18 | N3 | C17 | H14 | 180.0° | 56.0° |
| C18 | N3 | C17 | H15 | 60.0° | 176.1° |
| C18 | N3 | C17 | H16 | 60.0° | 64.0° |
| C18 | N3 | C16 | H17 | 165.2° | 68.5° |
| C18 | N3 | C16 | H18 | 74.7° | 170.8° |
| C17 | N3 | C16 | C15 | 78.6° | 175.3° |
| C17 | N3 | C18 | H11 | 58.8° | 75.4° |
| C17 | N3 | C18 | H12 | 178.4° | 44.4° |
| N3 | C17 | H14 | H15 | 120.0° | 120.0° |
| N3 | C17 | H14 | H16 | 120.0° | 120.1° |
| N3 | C17 | H15 | H16 | 120.0° | 120.0° |
| C17 | N3 | C16 | H17 | 41.4° | 55.6° |
| C17 | N3 | C16 | H18 | 161.5° | 65.1° |
| C19 | C20 | C15 | N2 | 178.3° | 179.9° |
| C19 | C20 | C15 | C16 | 1.4° | 0.2° |
| C19 | C20 | N2 | C8 | 1.7° | 0.2° |
| C19 | C20 | C15 | C14 | 177.8° | 179.8° |
| C19 | C20 | N2 | C9 | 177.9° | 179.9° |
| C20 | C19 | H9 | H10 | 120.5° | 120.7° |
| C20 | C19 | C18 | H11 | 163.8° | 70.7° |
| C20 | C19 | C18 | H12 | 76.6° | 169.4° |
| N3 | C16 | C15 | C20 | 14.2° | 16.4° |
| N3 | C16 | C15 | H17 | 120.0° | 119.7° |
| N3 | C16 | C15 | H18 | 119.9° | 119.6° |
| N3 | C16 | C15 | C14 | 170.2° | 163.6° |
| C16 | N3 | C18 | H11 | 176.8° | 48.7° |
| C16 | N3 | C18 | H12 | 57.2° | 168.6° |
| C16 | N3 | C17 | H14 | 52.1° | 179.7° |
| C16 | N3 | C17 | H15 | 68.0° | 59.7° |
| C16 | N3 | C17 | H16 | 172.0° | 60.3° |
| N3 | C16 | H17 | H18 | 120.1° | 120.6° |
| C20 | C15 | C16 | C14 | 175.6° | 180.0° |
| C15 | C20 | N2 | C8 | 176.6° | 180.0° |
| C15 | C20 | N2 | C9 | 0.5° | 0.3° |
| C20 | C15 | C14 | C9 | 0.4° | 0.3° |
| C20 | C15 | C14 | C13 | 179.5° | 179.9° |
| C15 | C20 | C19 | H9 | 136.0° | 135.7° |
| C15 | C20 | C19 | H10 | 103.7° | 103.6° |
| C20 | C15 | C16 | H17 | 134.2° | 103.3° |
| C20 | C15 | C16 | H18 | 105.7° | 136.0° |
| N2 | C20 | C15 | C16 | 177.0° | 180.0° |
| C20 | N2 | C8 | C5 | 89.3° | 89.7° |
| C20 | N2 | C8 | C9 | 175.4° | 179.7° |
| N2 | C20 | C15 | C14 | 0.5° | 0.0° |
| C20 | N2 | C9 | C14 | 0.2° | 0.4° |
| C20 | N2 | C9 | C10 | 178.5° | 179.7° |
| C20 | N2 | C8 | H7 | 150.3° | 150.3° |
| C20 | N2 | C8 | H8 | 31.0° | 30.3° |
| N2 | C20 | C19 | H9 | 42.1° | 44.2° |
| N2 | C20 | C19 | H10 | 78.2° | 76.5° |
| C3 | C4 | C5 | H5 | 180.0° | 179.5° |
| C4 | C3 | C2 | H6 | 180.0° | 179.3° |
| C3 | C4 | C5 | C8 | 177.9° | 179.7° |
| C3 | C4 | C5 | C6 | 2.2° | 0.3° |
| C4 | C3 | C2 | C1 | 175.2° | 179.7° |
| C4 | C3 | C2 | C7 | 1.3° | 0.6° |
| C5 | C4 | C3 | C2 | 1.8° | 0.6° |
| C4 | C5 | C8 | C6 | 179.9° | 180.0° |
| C4 | C5 | C8 | N2 | 175.4° | 90.0° |
| C4 | C5 | C6 | C7 | 2.2° | 0.1° |
| C4 | C5 | C6 | H4 | 177.8° | 180.0° |
| C5 | C4 | C3 | H6 | 178.2° | 179.9° |
| C4 | C5 | C8 | H7 | 64.3° | 30.0° |
| C4 | C5 | C8 | H8 | 55.1° | 150.0° |
| C16 | C15 | C14 | C9 | 176.5° | 179.7° |
| C16 | C15 | C14 | C13 | 3.4° | 0.1° |
| C15 | C16 | H17 | H18 | 120.1° | 120.5° |
| C3 | C2 | C1 | C7 | 173.5° | 179.6° |
| C3 | C2 | C1 | O2 | 22.5° | 179.7° |
| C3 | C2 | C1 | N1 | 166.9° | 0.6° |
| C3 | C2 | C7 | C6 | 1.2° | 0.3° |
| C3 | C2 | C7 | H3 | 178.8° | 179.7° |
| C2 | C3 | C4 | H5 | 178.2° | 179.9° |
| C5 | C8 | N2 | H7 | 120.4° | 120.0° |
| C5 | C8 | N2 | H8 | 120.3° | 120.0° |
| C5 | C8 | N2 | C9 | 86.1° | 90.0° |
| C8 | C5 | C6 | C7 | 178.0° | 180.0° |
| C8 | C5 | C6 | H4 | 2.1° | 0.1° |
| C8 | C5 | C4 | H5 | 2.1° | 0.2° |
| C5 | C8 | H7 | H8 | 118.9° | 119.9° |
| N2 | C8 | C5 | C6 | 4.4° | 90.0° |
| C8 | N2 | C9 | C14 | 176.2° | 179.9° |
| C8 | N2 | C9 | C10 | 5.5° | 0.0° |
| N2 | C8 | H7 | H8 | 118.9° | 120.0° |
| C5 | C6 | C7 | C2 | 1.7° | 0.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | H3 | 178.3° | 180.0° |
| C6 | C5 | C4 | H5 | 177.8° | 179.7° |
| C6 | C5 | C8 | H7 | 115.9° | 150.0° |
| C6 | C5 | C8 | H8 | 124.8° | 30.1° |
| C15 | C14 | C9 | N2 | 0.1° | 0.4° |
| C15 | C14 | C9 | C13 | 179.9° | 179.7° |
| C15 | C14 | C9 | C10 | 178.4° | 179.7° |
| C15 | C14 | C13 | C12 | 179.8° | 179.9° |
| C14 | C15 | C16 | H17 | 50.2° | 76.7° |
| C14 | C15 | C16 | H18 | 69.9° | 44.0° |
| C15 | C14 | C13 | H19 | 0.2° | 0.1° |
| N2 | C9 | C14 | C10 | 178.5° | 179.9° |
| N2 | C9 | C14 | C13 | 179.8° | 179.9° |
| N2 | C9 | C10 | C11 | 179.2° | 179.2° |
| C9 | N2 | C8 | H7 | 34.3° | 30.0° |
| C9 | N2 | C8 | H8 | 153.6° | 150.0° |
| N2 | C9 | C10 | H22 | 0.8° | 0.0° |
| C2 | C1 | O2 | N1 | 169.9° | 179.7° |
| C1 | C2 | C7 | C6 | 174.5° | 179.9° |
| C2 | C1 | N1 | O1 | 174.3° | 179.7° |
| C2 | C1 | N1 | H1 | 5.8° | 0.3° |
| C1 | C2 | C7 | H3 | 5.5° | 0.0° |
| C1 | C2 | C3 | H6 | 4.8° | 0.4° |
| C7 | C2 | C1 | O2 | 151.1° | 0.1° |
| C7 | C2 | C1 | N1 | 19.6° | 179.7° |
| C2 | C7 | C6 | H3 | 180.0° | 180.0° |
| C2 | C7 | C6 | H4 | 178.3° | 180.0° |
| C7 | C2 | C3 | H6 | 178.7° | 180.0° |
| O2 | C1 | N1 | O1 | 3.7° | 0.0° |
| O2 | C1 | N1 | H1 | 176.3° | 180.0° |
| C1 | N1 | O1 | H1 | 180.0° | 180.0° |
| C1 | N1 | O1 | H2 | 1.7° | 179.9° |
| C9 | C14 | C13 | C12 | 0.3° | 0.3° |
| C14 | C9 | C10 | C11 | 1.1° | 0.6° |
| C9 | C14 | C13 | H19 | 179.7° | 179.7° |
| C14 | C9 | C10 | H22 | 178.9° | 179.8° |
| C13 | C14 | C9 | C10 | 1.7° | 0.0° |
| C14 | C13 | C12 | H19 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 1.6° | 0.0° |
| C14 | C13 | C12 | H20 | 178.4° | 180.0° |
| C9 | C10 | C11 | H22 | 180.0° | 179.2° |
| C9 | C10 | C11 | C12 | 0.9° | 0.9° |
| C9 | C10 | C11 | H21 | 179.1° | 179.7° |
| C13 | C12 | C11 | C10 | 2.3° | 0.6° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | H21 | 177.7° | 179.9° |
| C10 | C11 | C12 | H21 | 180.0° | 179.4° |
| C10 | C11 | C12 | H20 | 177.7° | 179.4° |
| C11 | C12 | C13 | H19 | 178.4° | 179.9° |
| C12 | C11 | C10 | H22 | 179.1° | 179.8° |
| H1 | N1 | O1 | H2 | 178.3° | 0.0° |
| H3 | C7 | C6 | H4 | 1.7° | 0.1° |
| H5 | C4 | C3 | H6 | 1.8° | 0.6° |
| H9 | C19 | C18 | H11 | 76.4° | 49.0° |
| H9 | C19 | C18 | H12 | 43.2° | 70.9° |
| H10 | C19 | C18 | H11 | 44.0° | 169.7° |
| H10 | C19 | C18 | H12 | 163.6° | 49.8° |
| H14 | C17 | H15 | H16 | 120.0° | 119.9° |
| H19 | C13 | C12 | H20 | 1.6° | 0.1° |
| H20 | C12 | C11 | H21 | 2.3° | 0.1° |
| H21 | C11 | C10 | H22 | 0.8° | 0.4° |
