LV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.41Å | |
| O | C | doub | 1.22Å | 1.24Å | |
| N | C | sing | 1.35Å | 1.37Å | |
| C | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C6 | sing | 1.46Å | 1.47Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C17 | sing | 1.53Å | 1.54Å | |
| C6 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | O1 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | O1 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C3 | 123.6° | 120.9° |
| C4 | N1 | C5 | 117.4° | 121.8° |
| N1 | C4 | H1 | 118.2° | 119.5° |
| C4 | C3 | C2 | 118.4° | 119.2° |
| C3 | C4 | H1 | 118.2° | 119.6° |
| C4 | C3 | H21 | 120.8° | 120.4° |
| N1 | C5 | C1 | 123.5° | 120.7° |
| N1 | C5 | H2 | 118.3° | 119.7° |
| C3 | C2 | C1 | 119.3° | 118.4° |
| C3 | C2 | H14 | 120.3° | 120.9° |
| C2 | C3 | H21 | 120.8° | 120.4° |
| C5 | C1 | C2 | 117.8° | 119.0° |
| C5 | C1 | N | 122.8° | 120.5° |
| C1 | C5 | H2 | 118.3° | 119.6° |
| C2 | C1 | N | 117.8° | 120.5° |
| C1 | C2 | H14 | 120.3° | 120.8° |
| C1 | N | C | 127.6° | 120.0° |
| C1 | N | H11 | 116.2° | 120.0° |
| O | C | N | 123.5° | 120.0° |
| O | C | N2 | 123.8° | 120.0° |
| N | C | N2 | 112.7° | 120.0° |
| C | N | H11 | 116.2° | 120.0° |
| C | N2 | C6 | 129.0° | 120.0° |
| C | N2 | H12 | 115.5° | 120.0° |
| N2 | C6 | C7 | 109.5° | 109.6° |
| N2 | C6 | C17 | 109.1° | 109.5° |
| N2 | C6 | C14 | 107.3° | 109.6° |
| C6 | N2 | H12 | 115.5° | 120.0° |
| C8 | C7 | C6 | 116.3° | 109.5° |
| C7 | C8 | C13 | 120.7° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.0° |
| C8 | C7 | H3 | 107.7° | 109.4° |
| C8 | C7 | H4 | 107.7° | 109.4° |
| C7 | C6 | C17 | 111.1° | 109.5° |
| C7 | C6 | C14 | 110.9° | 109.6° |
| C6 | C7 | H3 | 107.7° | 109.5° |
| C6 | C7 | H4 | 107.8° | 109.5° |
| C8 | C13 | C12 | 120.7° | 120.0° |
| C13 | C8 | C9 | 118.4° | 120.0° |
| C8 | C13 | H6 | 119.7° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C12 | C13 | H6 | 119.7° | 120.0° |
| C13 | C12 | H18 | 119.9° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | H17 | 119.6° | 120.0° |
| C17 | C6 | C14 | 108.8° | 109.1° |
| C6 | C17 | C16 | 110.7° | 109.2° |
| C6 | C17 | H9 | 109.1° | 109.5° |
| C6 | C17 | H10 | 109.2° | 109.6° |
| C6 | C14 | C15 | 110.3° | 109.2° |
| C6 | C14 | H19 | 109.3° | 109.5° |
| C6 | C14 | H20 | 109.3° | 109.5° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C12 | C11 | H13 | 120.1° | 120.0° |
| C11 | C12 | H18 | 119.9° | 120.0° |
| C17 | C16 | O1 | 112.0° | 109.4° |
| C16 | C17 | H9 | 109.2° | 109.5° |
| C16 | C17 | H10 | 109.2° | 109.5° |
| C17 | C16 | H15 | 108.8° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.4° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C9 | C10 | H5 | 119.9° | 120.0° |
| C10 | C9 | H17 | 119.6° | 120.0° |
| C11 | C10 | H5 | 119.9° | 120.0° |
| C10 | C11 | H13 | 120.2° | 120.0° |
| C16 | O1 | C15 | 111.8° | 114.1° |
| O1 | C16 | H15 | 108.8° | 109.5° |
| O1 | C16 | H16 | 108.8° | 109.5° |
| C14 | C15 | O1 | 111.8° | 109.4° |
| C14 | C15 | H7 | 108.9° | 109.5° |
| C14 | C15 | H8 | 108.9° | 109.5° |
| C15 | C14 | H19 | 109.3° | 109.5° |
| C15 | C14 | H20 | 109.3° | 109.5° |
| O1 | C15 | H7 | 108.9° | 109.4° |
| O1 | C15 | H8 | 108.9° | 109.4° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C3 | H1 | 180.0° | 180.0° |
| N1 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | N1 | C5 | C1 | 0.2° | 0.1° |
| C4 | N1 | C5 | H2 | 179.8° | 180.0° |
| N1 | C4 | C3 | H21 | 179.4° | 180.0° |
| C3 | C4 | N1 | C5 | 1.5° | 0.1° |
| C4 | C3 | C2 | H21 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.6° | 0.0° |
| C4 | C3 | C2 | H14 | 178.4° | 180.0° |
| N1 | C5 | C1 | H2 | 180.0° | 179.9° |
| N1 | C5 | C1 | C2 | 1.9° | 0.0° |
| N1 | C5 | C1 | N | 163.1° | 179.9° |
| C5 | N1 | C4 | H1 | 178.5° | 179.9° |
| C3 | C2 | C1 | C5 | 2.7° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | N | 163.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.4° | 180.0° |
| C5 | C1 | C2 | N | 165.7° | 180.0° |
| C5 | C1 | N | C | 18.1° | 145.1° |
| C5 | C1 | N | H11 | 161.9° | 34.9° |
| C5 | C1 | C2 | H14 | 177.3° | 180.0° |
| C2 | C1 | N | C | 146.8° | 34.9° |
| C2 | C1 | C5 | H2 | 178.1° | 180.0° |
| C2 | C1 | N | H11 | 33.2° | 145.2° |
| C1 | C2 | C3 | H21 | 178.4° | 180.0° |
| C1 | N | C | O | 27.0° | 4.6° |
| C1 | N | C | H11 | 180.0° | 179.9° |
| C1 | N | C | N2 | 156.6° | 175.5° |
| N | C1 | C5 | H2 | 16.9° | 0.0° |
| N | C1 | C2 | H14 | 17.0° | 0.0° |
| O | C | N | N2 | 176.5° | 179.9° |
| O | C | N2 | C6 | 11.0° | 5.0° |
| O | C | N | H11 | 153.0° | 175.5° |
| O | C | N2 | H12 | 168.9° | 175.2° |
| N | C | N2 | C6 | 165.4° | 175.1° |
| N | C | N2 | H12 | 14.6° | 4.7° |
| C | N2 | C6 | H12 | 180.0° | 179.9° |
| C | N2 | C6 | C7 | 71.1° | 59.2° |
| C | N2 | C6 | C17 | 50.8° | 61.0° |
| C | N2 | C6 | C14 | 168.4° | 179.4° |
| N2 | C | N | H11 | 23.4° | 4.4° |
| N2 | C6 | C7 | C8 | 174.7° | 54.8° |
| N2 | C6 | C7 | C17 | 120.7° | 120.1° |
| N2 | C6 | C7 | C14 | 118.2° | 120.3° |
| N2 | C6 | C17 | C14 | 116.7° | 119.9° |
| N2 | C6 | C17 | C16 | 63.4° | 62.9° |
| N2 | C6 | C14 | C15 | 63.9° | 62.9° |
| N2 | C6 | C7 | H3 | 53.8° | 65.2° |
| N2 | C6 | C7 | H4 | 64.3° | 174.8° |
| N2 | C6 | C17 | H9 | 176.5° | 177.2° |
| N2 | C6 | C17 | H10 | 56.9° | 57.0° |
| N2 | C6 | C14 | H19 | 56.3° | 57.0° |
| N2 | C6 | C14 | H20 | 176.0° | 177.2° |
| C8 | C7 | C6 | H3 | 121.0° | 120.0° |
| C8 | C7 | C6 | H4 | 121.0° | 120.0° |
| C7 | C8 | C13 | C9 | 177.4° | 179.7° |
| C7 | C8 | C13 | C12 | 178.4° | 180.0° |
| C8 | C7 | C6 | C17 | 54.1° | 175.0° |
| C8 | C7 | C6 | C14 | 67.1° | 65.4° |
| C7 | C8 | C9 | C10 | 177.9° | 180.0° |
| C8 | C7 | H3 | H4 | 116.9° | 120.0° |
| C7 | C8 | C13 | H6 | 1.6° | 0.1° |
| C7 | C8 | C9 | H17 | 2.1° | 0.0° |
| C6 | C7 | C8 | C13 | 94.9° | 89.7° |
| C6 | C7 | C8 | C9 | 87.8° | 90.0° |
| C7 | C6 | C17 | C14 | 122.4° | 119.9° |
| C7 | C6 | C17 | C16 | 175.7° | 176.8° |
| C7 | C6 | C14 | C15 | 176.6° | 176.8° |
| C6 | C7 | H3 | H4 | 116.9° | 120.0° |
| C7 | C6 | C17 | H9 | 55.6° | 57.0° |
| C7 | C6 | C17 | H10 | 64.1° | 63.2° |
| C7 | C6 | N2 | H12 | 108.9° | 120.7° |
| C7 | C6 | C14 | H19 | 63.3° | 63.3° |
| C7 | C6 | C14 | H20 | 56.4° | 56.9° |
| C8 | C13 | C12 | H6 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C8 | C9 | C10 | 0.5° | 0.3° |
| C13 | C8 | C7 | H3 | 26.1° | 150.2° |
| C13 | C8 | C7 | H4 | 144.1° | 30.3° |
| C13 | C8 | C9 | H17 | 179.5° | 179.7° |
| C8 | C13 | C12 | H18 | 179.2° | 179.9° |
| C12 | C13 | C8 | C9 | 1.0° | 0.3° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.2° |
| C13 | C12 | C11 | H13 | 180.0° | 179.7° |
| C8 | C9 | C10 | H17 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.1° |
| C9 | C8 | C7 | H3 | 151.2° | 30.1° |
| C9 | C8 | C7 | H4 | 33.2° | 150.0° |
| C8 | C9 | C10 | H5 | 179.7° | 179.8° |
| C9 | C8 | C13 | H6 | 179.0° | 179.8° |
| C6 | C17 | C16 | H9 | 120.2° | 119.9° |
| C6 | C17 | C16 | H10 | 120.2° | 120.0° |
| C6 | C17 | C16 | O1 | 55.9° | 57.6° |
| C17 | C6 | C14 | C15 | 54.0° | 57.0° |
| C17 | C6 | C7 | H3 | 66.9° | 55.0° |
| C17 | C6 | C7 | H4 | 175.1° | 65.1° |
| C6 | C17 | H9 | H10 | 119.4° | 120.2° |
| C17 | C6 | N2 | H12 | 129.3° | 119.1° |
| C6 | C17 | C16 | H15 | 176.3° | 177.5° |
| C6 | C17 | C16 | H16 | 64.5° | 62.4° |
| C17 | C6 | C14 | H19 | 174.2° | 176.9° |
| C17 | C6 | C14 | H20 | 66.1° | 62.9° |
| C14 | C6 | C17 | C16 | 53.4° | 57.0° |
| C6 | C14 | C15 | H19 | 120.1° | 119.9° |
| C6 | C14 | C15 | H20 | 120.1° | 119.9° |
| C6 | C14 | C15 | O1 | 57.4° | 57.6° |
| C14 | C6 | C7 | H3 | 172.0° | 174.6° |
| C14 | C6 | C7 | H4 | 53.9° | 54.5° |
| C6 | C14 | C15 | H7 | 63.0° | 177.6° |
| C6 | C14 | C15 | H8 | 177.7° | 62.3° |
| C14 | C6 | C17 | H9 | 66.8° | 62.9° |
| C14 | C6 | C17 | H10 | 173.6° | 176.9° |
| C14 | C6 | N2 | H12 | 11.6° | 0.5° |
| C6 | C14 | H19 | H20 | 119.6° | 120.2° |
| C12 | C11 | C10 | C9 | 0.5° | 0.2° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 179.5° | 180.0° |
| C11 | C12 | C13 | H6 | 179.3° | 180.0° |
| C17 | C16 | O1 | H15 | 120.4° | 120.0° |
| C17 | C16 | O1 | H16 | 120.4° | 119.9° |
| C17 | C16 | O1 | C15 | 58.3° | 61.1° |
| C16 | C17 | H9 | H10 | 119.4° | 120.1° |
| C17 | C16 | H15 | H16 | 118.9° | 120.0° |
| C9 | C10 | C11 | H5 | 180.0° | 179.8° |
| C9 | C10 | C11 | H13 | 179.5° | 179.8° |
| C11 | C10 | C9 | H17 | 179.7° | 179.9° |
| C10 | C11 | C12 | H18 | 180.0° | 179.8° |
| C16 | O1 | C15 | C14 | 59.1° | 61.2° |
| C16 | O1 | C15 | H7 | 61.2° | 178.8° |
| C16 | O1 | C15 | H8 | 179.5° | 58.9° |
| O1 | C16 | C17 | H9 | 64.2° | 62.3° |
| O1 | C16 | C17 | H10 | 176.1° | 177.5° |
| O1 | C16 | H15 | H16 | 118.9° | 120.1° |
| C14 | C15 | O1 | H7 | 120.3° | 120.0° |
| C14 | C15 | O1 | H8 | 120.3° | 120.0° |
| C14 | C15 | H7 | H8 | 119.0° | 120.1° |
| C15 | C14 | H19 | H20 | 119.6° | 120.1° |
| O1 | C15 | H7 | H8 | 119.0° | 120.0° |
| C15 | O1 | C16 | H15 | 178.6° | 178.9° |
| C15 | O1 | C16 | H16 | 62.1° | 58.8° |
| O1 | C15 | C14 | H19 | 177.5° | 177.5° |
| O1 | C15 | C14 | H20 | 62.7° | 62.3° |
| H1 | C4 | C3 | H21 | 0.6° | 0.0° |
| H5 | C10 | C11 | H13 | 0.5° | 0.1° |
| H5 | C10 | C9 | H17 | 0.3° | 0.2° |
| H6 | C13 | C12 | H18 | 0.8° | 0.0° |
| H7 | C15 | C14 | H19 | 57.2° | 62.5° |
| H7 | C15 | C14 | H20 | 176.9° | 57.7° |
| H8 | C15 | C14 | H19 | 62.2° | 57.6° |
| H8 | C15 | C14 | H20 | 57.6° | 177.7° |
| H9 | C17 | C16 | H15 | 56.1° | 57.6° |
| H9 | C17 | C16 | H16 | 175.4° | 177.7° |
| H10 | C17 | C16 | H15 | 63.5° | 62.5° |
| H10 | C17 | C16 | H16 | 55.7° | 57.6° |
| H13 | C11 | C12 | H18 | 0.0° | 0.2° |
| H14 | C2 | C3 | H21 | 1.6° | 0.0° |
