L09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H1C1 | sing | 1.09Å | 1.11Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C1 | H1C3 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | C5 | sing | 1.51Å | 1.54Å | |
| C3 | H3C1 | sing | 1.09Å | 1.12Å | |
| C3 | H3C2 | sing | 1.09Å | 1.11Å | |
| C3 | H3C3 | sing | 1.09Å | 1.11Å | |
| C4 | H4C1 | sing | 1.09Å | 1.12Å | |
| C4 | H4C2 | sing | 1.09Å | 1.11Å | |
| C4 | H4C3 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | N28 | doub | 1.31Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | N8 | sing | 1.39Å | 1.43Å | |
| C7 | N27 | sing | 1.35Å | 1.31Å | Aromatic |
| N8 | C9 | sing | 1.35Å | 1.39Å | |
| N8 | H8 | sing | 0.97Å | 1.02Å | |
| C9 | O10 | doub | 1.21Å | 1.22Å | |
| C9 | N11 | sing | 1.35Å | 1.38Å | |
| N11 | C12 | sing | 1.40Å | 1.43Å | |
| N11 | H11 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | C26 | sing | 1.39Å | 1.45Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.44Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | CL16 | sing | 1.74Å | 1.73Å | |
| C15 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | O19 | sing | 1.43Å | 1.44Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| O19 | C20 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.46Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.44Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | N24 | sing | 1.32Å | 1.37Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| N24 | C25 | doub | 1.32Å | 1.36Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| N27 | N28 | sing | 1.40Å | 1.38Å | Aromatic |
| N27 | H27 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1C1 | 109.2° | 109.5° |
| C2 | C1 | H1C2 | 112.3° | 109.4° |
| C2 | C1 | H1C3 | 112.3° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | C4 | 107.9° | 109.5° |
| C1 | C2 | C5 | 111.6° | 109.5° |
| H1C1 | C1 | H1C2 | 112.3° | 109.4° |
| H1C1 | C1 | H1C3 | 112.3° | 109.5° |
| H1C2 | C1 | H1C3 | 98.1° | 109.5° |
| C3 | C2 | C4 | 108.6° | 109.5° |
| C3 | C2 | C5 | 110.8° | 109.5° |
| C2 | C3 | H3C1 | 109.3° | 109.5° |
| C2 | C3 | H3C2 | 112.3° | 109.4° |
| C2 | C3 | H3C3 | 112.3° | 109.5° |
| C4 | C2 | C5 | 108.6° | 109.4° |
| C2 | C4 | H4C1 | 107.9° | 109.5° |
| C2 | C4 | H4C2 | 112.8° | 109.5° |
| C2 | C4 | H4C3 | 112.8° | 109.4° |
| C2 | C5 | C6 | 127.4° | 125.8° |
| C2 | C5 | N28 | 125.3° | 125.8° |
| H3C1 | C3 | H3C2 | 112.3° | 109.4° |
| H3C1 | C3 | H3C3 | 112.2° | 109.5° |
| H3C2 | C3 | H3C3 | 98.1° | 109.4° |
| H4C1 | C4 | H4C2 | 112.8° | 109.5° |
| H4C1 | C4 | H4C3 | 112.8° | 109.4° |
| H4C2 | C4 | H4C3 | 97.7° | 109.4° |
| C6 | C5 | N28 | 107.3° | 108.3° |
| C5 | C6 | C7 | 107.6° | 107.8° |
| C5 | C6 | H6 | 126.2° | 126.1° |
| C5 | N28 | N27 | 108.1° | 108.4° |
| C7 | C6 | H6 | 126.2° | 126.0° |
| C6 | C7 | N8 | 129.6° | 126.2° |
| C6 | C7 | N27 | 107.7° | 107.5° |
| N8 | C7 | N27 | 122.7° | 126.3° |
| C7 | N8 | C9 | 127.0° | 120.0° |
| C7 | N8 | H8 | 116.5° | 119.9° |
| C7 | N27 | N28 | 109.3° | 108.0° |
| C7 | N27 | H27 | 125.3° | 126.0° |
| C9 | N8 | H8 | 116.5° | 120.0° |
| N8 | C9 | O10 | 122.7° | 120.0° |
| N8 | C9 | N11 | 116.5° | 120.0° |
| O10 | C9 | N11 | 120.8° | 120.1° |
| C9 | N11 | C12 | 128.2° | 120.0° |
| C9 | N11 | H11 | 115.9° | 120.0° |
| C12 | N11 | H11 | 115.9° | 120.0° |
| N11 | C12 | C13 | 115.8° | 120.1° |
| N11 | C12 | C26 | 125.0° | 120.1° |
| C13 | C12 | C26 | 119.1° | 119.8° |
| C12 | C13 | C14 | 121.4° | 120.0° |
| C12 | C13 | H13 | 119.3° | 120.0° |
| C12 | C26 | C17 | 119.9° | 120.0° |
| C12 | C26 | H26 | 120.1° | 120.0° |
| C14 | C13 | H13 | 119.3° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | CL16 | 116.3° | 120.0° |
| C14 | C15 | C17 | 120.4° | 120.1° |
| CL16 | C15 | C17 | 123.3° | 119.9° |
| C15 | C17 | C18 | 122.0° | 120.0° |
| C15 | C17 | C26 | 119.6° | 120.0° |
| C18 | C17 | C26 | 118.4° | 120.0° |
| C17 | C18 | O19 | 107.1° | 109.5° |
| C17 | C18 | H181 | 113.1° | 109.4° |
| C17 | C18 | H182 | 113.1° | 109.5° |
| C17 | C26 | H26 | 120.1° | 120.0° |
| O19 | C18 | H181 | 113.1° | 109.4° |
| O19 | C18 | H182 | 113.1° | 109.6° |
| C18 | O19 | C20 | 115.3° | 106.8° |
| H181 | C18 | H182 | 97.4° | 109.4° |
| O19 | C20 | C21 | 117.3° | 120.5° |
| O19 | C20 | C25 | 125.4° | 120.5° |
| C21 | C20 | C25 | 117.3° | 119.1° |
| C20 | C21 | C22 | 120.7° | 118.4° |
| C20 | C21 | H21 | 119.7° | 120.9° |
| C20 | C25 | N24 | 119.6° | 120.7° |
| C20 | C25 | H25 | 120.2° | 119.6° |
| C22 | C21 | H21 | 119.7° | 120.8° |
| C21 | C22 | C23 | 118.4° | 119.2° |
| C21 | C22 | H22 | 120.8° | 120.4° |
| C23 | C22 | H22 | 120.8° | 120.4° |
| C22 | C23 | N24 | 120.7° | 120.9° |
| C22 | C23 | H23 | 119.7° | 119.6° |
| N24 | C23 | H23 | 119.7° | 119.5° |
| C23 | N24 | C25 | 123.4° | 121.8° |
| N24 | C25 | H25 | 120.2° | 119.7° |
| N28 | N27 | H27 | 125.3° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1C1 | H1C2 | 125.2° | 120.0° |
| C2 | C1 | H1C1 | H1C3 | 125.3° | 120.1° |
| C2 | C1 | H1C2 | H1C3 | 118.2° | 120.0° |
| C1 | C2 | C3 | C4 | 117.5° | 120.0° |
| C1 | C2 | C3 | C5 | 123.3° | 120.0° |
| C1 | C2 | C4 | C5 | 121.1° | 120.0° |
| C1 | C2 | C3 | H3C1 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3C2 | 54.7° | 60.0° |
| C1 | C2 | C3 | H3C3 | 54.7° | 179.9° |
| C1 | C2 | C4 | H4C1 | 180.0° | 59.9° |
| C1 | C2 | C4 | H4C2 | 54.8° | 180.0° |
| C1 | C2 | C4 | H4C3 | 54.8° | 60.0° |
| C1 | C2 | C5 | C6 | 48.3° | 180.0° |
| C1 | C2 | C5 | N28 | 132.8° | 0.2° |
| H1C1 | C1 | H1C2 | H1C3 | 118.3° | 120.0° |
| H1C1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1C1 | C1 | C2 | C4 | 62.1° | 60.1° |
| H1C1 | C1 | C2 | C5 | 57.1° | 180.0° |
| H1C2 | C1 | C2 | C3 | 54.7° | 60.0° |
| H1C2 | C1 | C2 | C4 | 172.6° | 180.0° |
| H1C2 | C1 | C2 | C5 | 68.2° | 60.0° |
| H1C3 | C1 | C2 | C3 | 54.7° | 180.0° |
| H1C3 | C1 | C2 | C4 | 63.2° | 60.0° |
| H1C3 | C1 | C2 | C5 | 177.6° | 60.0° |
| C3 | C2 | C4 | C5 | 120.6° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 125.3° | 120.0° |
| C2 | C3 | H3C1 | H3C3 | 125.3° | 120.1° |
| C2 | C3 | H3C2 | H3C3 | 118.2° | 120.0° |
| C3 | C2 | C4 | H4C1 | 61.7° | 180.0° |
| C3 | C2 | C4 | H4C2 | 173.1° | 59.9° |
| C3 | C2 | C4 | H4C3 | 63.6° | 60.0° |
| C3 | C2 | C5 | C6 | 170.3° | 60.0° |
| C3 | C2 | C5 | N28 | 10.8° | 120.3° |
| C4 | C2 | C3 | H3C1 | 62.6° | 180.0° |
| C4 | C2 | C3 | H3C2 | 62.7° | 60.0° |
| C4 | C2 | C3 | H3C3 | 172.2° | 59.9° |
| C2 | C4 | H4C1 | H4C2 | 125.3° | 120.1° |
| C2 | C4 | H4C1 | H4C3 | 125.2° | 119.9° |
| C2 | C4 | H4C2 | H4C3 | 118.7° | 120.0° |
| C4 | C2 | C5 | C6 | 70.5° | 60.0° |
| C4 | C2 | C5 | N28 | 108.4° | 119.7° |
| C5 | C2 | C3 | H3C1 | 56.6° | 60.0° |
| C5 | C2 | C3 | H3C2 | 178.1° | 180.0° |
| C5 | C2 | C3 | H3C3 | 68.6° | 60.0° |
| C5 | C2 | C4 | H4C1 | 58.9° | 60.1° |
| C5 | C2 | C4 | H4C2 | 66.3° | 60.1° |
| C5 | C2 | C4 | H4C3 | 175.8° | 180.0° |
| C2 | C5 | C6 | N28 | 179.0° | 179.8° |
| C2 | C5 | C6 | C7 | 179.0° | 180.0° |
| C2 | C5 | C6 | H6 | 1.0° | 0.0° |
| C2 | C5 | N28 | N27 | 179.0° | 179.9° |
| H3C1 | C3 | H3C2 | H3C3 | 118.2° | 120.0° |
| H4C1 | C4 | H4C2 | H4C3 | 118.7° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N8 | 178.7° | 180.0° |
| C5 | C6 | C7 | N27 | 0.0° | 0.0° |
| C6 | C5 | N28 | N27 | 0.1° | 0.3° |
| N28 | C5 | C6 | C7 | 0.0° | 0.2° |
| N28 | C5 | C6 | H6 | 180.0° | 179.8° |
| C5 | N28 | N27 | C7 | 0.1° | 0.3° |
| C5 | N28 | N27 | H27 | 180.0° | 179.8° |
| C6 | C7 | N8 | N27 | 178.5° | 180.0° |
| C6 | C7 | N8 | C9 | 7.0° | 0.1° |
| C6 | C7 | N8 | H8 | 173.0° | 179.9° |
| C6 | C7 | N27 | N28 | 0.0° | 0.2° |
| C6 | C7 | N27 | H27 | 180.0° | 180.0° |
| H6 | C6 | C7 | N8 | 1.3° | 0.0° |
| H6 | C6 | C7 | N27 | 180.0° | 180.0° |
| C7 | N8 | C9 | H8 | 180.0° | 180.0° |
| C7 | N8 | C9 | O10 | 10.2° | 0.0° |
| C7 | N8 | C9 | N11 | 171.5° | 180.0° |
| N8 | C7 | N27 | N28 | 178.8° | 179.8° |
| N8 | C7 | N27 | H27 | 1.2° | 0.1° |
| N27 | C7 | N8 | C9 | 171.6° | 180.0° |
| N27 | C7 | N8 | H8 | 8.5° | 0.0° |
| C7 | N27 | N28 | H27 | 180.0° | 179.9° |
| N8 | C9 | O10 | N11 | 178.2° | 180.0° |
| N8 | C9 | N11 | C12 | 178.7° | 174.2° |
| N8 | C9 | N11 | H11 | 1.2° | 5.8° |
| H8 | N8 | C9 | O10 | 169.8° | 180.0° |
| H8 | N8 | C9 | N11 | 8.5° | 0.0° |
| O10 | C9 | N11 | C12 | 2.9° | 5.8° |
| O10 | C9 | N11 | H11 | 177.1° | 174.2° |
| C9 | N11 | C12 | H11 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 142.9° | 37.4° |
| C9 | N11 | C12 | C26 | 39.0° | 142.9° |
| N11 | C12 | C13 | C26 | 178.3° | 179.7° |
| N11 | C12 | C13 | C14 | 178.9° | 180.0° |
| N11 | C12 | C13 | H13 | 1.1° | 0.1° |
| N11 | C12 | C26 | C17 | 178.9° | 179.8° |
| N11 | C12 | C26 | H26 | 1.1° | 0.3° |
| H11 | N11 | C12 | C13 | 37.1° | 142.6° |
| H11 | N11 | C12 | C26 | 141.1° | 37.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C13 | C12 | C26 | C17 | 0.8° | 0.6° |
| C13 | C12 | C26 | H26 | 179.2° | 180.0° |
| C26 | C12 | C13 | C14 | 0.6° | 0.3° |
| C26 | C12 | C13 | H13 | 179.3° | 179.7° |
| C12 | C26 | C17 | C15 | 1.0° | 0.6° |
| C12 | C26 | C17 | C18 | 179.7° | 179.8° |
| C12 | C26 | C17 | H26 | 180.0° | 179.4° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | CL16 | 179.5° | 180.0° |
| C13 | C14 | C15 | C17 | 0.9° | 0.0° |
| H13 | C13 | C14 | C15 | 179.3° | 180.0° |
| H13 | C13 | C14 | H14 | 0.7° | 0.0° |
| C14 | C15 | CL16 | C17 | 179.5° | 180.0° |
| C14 | C15 | C17 | C18 | 179.7° | 179.9° |
| C14 | C15 | C17 | C26 | 1.1° | 0.3° |
| H14 | C14 | C15 | CL16 | 0.4° | 0.0° |
| H14 | C14 | C15 | C17 | 179.1° | 180.0° |
| CL16 | C15 | C17 | C18 | 0.8° | 0.1° |
| CL16 | C15 | C17 | C26 | 179.4° | 179.7° |
| C15 | C17 | C18 | C26 | 178.6° | 179.6° |
| C15 | C17 | C18 | O19 | 69.2° | 180.0° |
| C15 | C17 | C18 | H181 | 165.5° | 60.0° |
| C15 | C17 | C18 | H182 | 56.0° | 59.9° |
| C15 | C17 | C26 | H26 | 179.0° | 180.0° |
| C17 | C18 | O19 | H181 | 125.3° | 119.9° |
| C17 | C18 | O19 | H182 | 125.3° | 120.1° |
| C17 | C18 | H181 | H182 | 119.0° | 120.0° |
| C17 | C18 | O19 | C20 | 168.1° | 180.0° |
| C18 | C17 | C26 | H26 | 0.3° | 0.4° |
| C26 | C17 | C18 | O19 | 109.4° | 0.4° |
| C26 | C17 | C18 | H181 | 15.8° | 120.3° |
| C26 | C17 | C18 | H182 | 125.3° | 119.8° |
| O19 | C18 | H181 | H182 | 119.0° | 120.0° |
| C18 | O19 | C20 | C21 | 171.7° | 180.0° |
| C18 | O19 | C20 | C25 | 8.9° | 0.4° |
| H181 | C18 | O19 | C20 | 66.6° | 60.0° |
| H182 | C18 | O19 | C20 | 42.9° | 59.9° |
| O19 | C20 | C21 | C25 | 179.5° | 179.7° |
| O19 | C20 | C21 | C22 | 179.8° | 180.0° |
| O19 | C20 | C21 | H21 | 0.2° | 0.1° |
| O19 | C20 | C25 | N24 | 179.7° | 179.7° |
| O19 | C20 | C25 | H25 | 0.2° | 0.3° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| C21 | C20 | C25 | N24 | 0.3° | 0.6° |
| C21 | C20 | C25 | H25 | 179.7° | 180.0° |
| C25 | C20 | C21 | C22 | 0.3° | 0.3° |
| C25 | C20 | C21 | H21 | 179.7° | 179.8° |
| C20 | C25 | N24 | C23 | 0.2° | 0.6° |
| C20 | C25 | N24 | H25 | 180.0° | 179.4° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | N24 | 0.2° | 0.1° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C21 | C22 | C23 | 179.8° | 180.0° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| C22 | C23 | N24 | H23 | 180.0° | 179.9° |
| C22 | C23 | N24 | C25 | 0.2° | 0.4° |
| H22 | C22 | C23 | N24 | 179.8° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | N24 | C25 | H25 | 179.7° | 180.0° |
| H23 | C23 | N24 | C25 | 179.8° | 179.7° |
