LO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| O | C7 | sing | 1.44Å | 1.43Å | |
| O | C6 | sing | 1.44Å | 1.44Å | |
| C7 | C5 | sing | 1.54Å | 1.57Å | |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.54Å | 1.58Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.47Å | 1.50Å | |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C2 | N | sing | 1.47Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| N2 | C9 | sing | 1.46Å | 1.48Å | |
| N2 | C8 | sing | 1.35Å | 1.40Å | |
| N | C3 | sing | 1.47Å | 1.50Å | |
| C1 | C8 | sing | 1.51Å | 1.53Å | |
| C1 | N1 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C8 | O1 | doub | 1.21Å | 1.19Å | |
| C4 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 121.4° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H10 | 119.9° | 120.0° |
| C13 | C14 | H18 | 119.3° | 120.0° |
| C14 | C15 | C10 | 118.6° | 120.0° |
| C14 | C15 | H11 | 120.7° | 120.0° |
| C15 | C14 | H18 | 119.3° | 120.0° |
| C7 | O | C6 | 93.8° | 93.4° |
| O | C7 | C5 | 91.3° | 85.4° |
| O | C7 | H8 | 113.8° | 113.9° |
| O | C7 | H9 | 113.8° | 113.9° |
| O | C6 | C5 | 91.1° | 85.5° |
| O | C6 | H6 | 113.9° | 113.9° |
| O | C6 | H7 | 113.8° | 114.0° |
| C7 | C5 | C6 | 83.5° | 86.0° |
| C7 | C5 | N | 113.7° | 113.8° |
| C7 | C5 | H5 | 113.2° | 113.8° |
| C5 | C7 | H8 | 113.8° | 113.9° |
| C5 | C7 | H9 | 113.8° | 113.9° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C12 | C13 | H10 | 119.9° | 120.0° |
| C13 | C12 | H17 | 120.2° | 120.0° |
| C15 | C10 | C11 | 119.7° | 120.0° |
| C15 | C10 | C9 | 122.0° | 120.0° |
| C10 | C15 | H11 | 120.7° | 120.0° |
| C6 | C5 | N | 115.3° | 113.8° |
| C6 | C5 | H5 | 113.1° | 113.9° |
| C5 | C6 | H6 | 113.9° | 113.9° |
| C5 | C6 | H7 | 113.9° | 113.8° |
| C | C1 | C2 | 111.5° | 109.5° |
| C | C1 | C8 | 106.5° | 109.5° |
| C | C1 | N1 | 110.1° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H16 | 119.7° | 120.0° |
| C11 | C12 | H17 | 120.2° | 119.9° |
| C5 | N | C2 | 109.6° | 111.0° |
| C5 | N | C3 | 111.2° | 111.0° |
| N | C5 | H5 | 114.5° | 113.0° |
| C11 | C10 | C9 | 118.4° | 120.0° |
| C10 | C11 | H16 | 119.7° | 120.0° |
| C10 | C9 | N2 | 113.7° | 109.5° |
| C10 | C9 | H23 | 108.4° | 109.4° |
| C10 | C9 | H24 | 108.4° | 109.4° |
| N | C2 | C1 | 111.6° | 109.4° |
| C2 | N | C3 | 111.8° | 110.9° |
| N | C2 | H19 | 108.9° | 109.5° |
| N | C2 | H20 | 108.9° | 109.5° |
| C2 | C1 | C8 | 109.8° | 109.5° |
| C2 | C1 | N1 | 113.0° | 109.3° |
| C1 | C2 | H19 | 109.0° | 109.5° |
| C1 | C2 | H20 | 108.9° | 109.5° |
| C9 | N2 | C8 | 120.6° | 120.0° |
| N2 | C9 | H23 | 108.4° | 109.5° |
| N2 | C9 | H24 | 108.4° | 109.5° |
| C9 | N2 | H25 | 119.7° | 120.0° |
| N2 | C8 | C1 | 119.6° | 120.0° |
| N2 | C8 | O1 | 121.6° | 120.0° |
| C8 | N2 | H25 | 119.7° | 120.0° |
| N | C3 | C4 | 108.8° | 109.3° |
| N | C3 | H21 | 109.6° | 109.5° |
| N | C3 | H22 | 109.6° | 109.5° |
| C8 | C1 | N1 | 105.6° | 109.5° |
| C1 | C8 | O1 | 118.8° | 120.0° |
| C1 | N1 | C4 | 114.0° | 110.9° |
| C1 | N1 | H1 | 108.3° | 111.1° |
| C3 | C4 | N1 | 114.4° | 109.3° |
| C3 | C4 | H3 | 108.2° | 109.5° |
| C3 | C4 | H4 | 108.2° | 109.5° |
| C4 | C3 | H21 | 109.6° | 109.5° |
| C4 | C3 | H22 | 109.6° | 109.4° |
| C4 | N1 | H1 | 108.3° | 111.0° |
| N1 | C4 | H3 | 108.3° | 109.5° |
| N1 | C4 | H4 | 108.2° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.4° | 113.1° |
| H8 | C7 | H9 | 109.5° | 113.0° |
| H13 | C | H14 | 109.5° | 109.4° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.4° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C9 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H18 | 180.0° | 179.2° |
| C14 | C13 | C12 | H10 | 180.0° | 179.5° |
| C13 | C14 | C15 | C10 | 0.3° | 0.5° |
| C14 | C13 | C12 | C11 | 0.3° | 0.5° |
| C13 | C14 | C15 | H11 | 179.7° | 179.5° |
| C14 | C13 | C12 | H17 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.7° |
| C14 | C15 | C10 | H11 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 0.6° | 0.1° |
| C14 | C15 | C10 | C9 | 178.5° | 179.7° |
| C15 | C14 | C13 | H10 | 179.9° | 179.8° |
| O | C7 | C5 | H8 | 116.9° | 114.2° |
| O | C7 | C5 | H9 | 116.8° | 114.2° |
| C7 | O | C6 | C5 | 3.6° | 24.1° |
| O | C7 | C5 | N | 111.4° | 136.8° |
| O | C7 | C5 | H5 | 115.8° | 91.8° |
| C7 | O | C6 | H6 | 113.2° | 90.1° |
| C7 | O | C6 | H7 | 120.4° | 138.2° |
| O | C7 | H8 | H9 | 128.6° | 132.1° |
| O | C6 | C5 | H6 | 116.8° | 114.1° |
| O | C6 | C5 | H7 | 116.8° | 114.2° |
| O | C6 | C5 | N | 109.8° | 136.8° |
| O | C6 | C5 | H5 | 115.8° | 91.8° |
| O | C6 | H6 | H7 | 128.7° | 132.2° |
| C6 | O | C7 | H8 | 120.5° | 138.2° |
| C6 | O | C7 | H9 | 113.2° | 90.1° |
| C7 | C5 | C6 | N | 113.2° | 114.3° |
| C7 | C5 | C6 | H5 | 112.5° | 114.3° |
| C7 | C5 | N | H5 | 132.2° | 131.8° |
| C7 | C5 | N | C2 | 39.2° | 161.5° |
| C7 | C5 | N | C3 | 84.9° | 74.7° |
| C7 | C5 | C6 | H6 | 113.5° | 91.6° |
| C7 | C5 | C6 | H7 | 120.1° | 136.8° |
| C5 | C7 | H8 | H9 | 128.6° | 132.1° |
| C13 | C12 | C11 | H17 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C12 | C13 | C14 | H18 | 179.8° | 180.0° |
| C15 | C10 | C11 | C12 | 0.4° | 0.3° |
| C15 | C10 | C11 | C9 | 179.1° | 179.7° |
| C15 | C10 | C9 | N2 | 33.6° | 89.7° |
| C15 | C10 | C11 | H16 | 179.6° | 179.7° |
| C10 | C15 | C14 | H18 | 179.7° | 179.7° |
| C15 | C10 | C9 | H23 | 154.2° | 30.3° |
| C15 | C10 | C9 | H24 | 87.1° | 150.3° |
| C6 | C5 | N | H5 | 133.8° | 131.8° |
| C6 | C5 | N | C2 | 133.2° | 65.1° |
| C6 | C5 | N | C3 | 9.1° | 171.1° |
| C5 | C6 | H6 | H7 | 128.7° | 132.0° |
| C6 | C5 | C7 | H8 | 120.2° | 136.7° |
| C6 | C5 | C7 | H9 | 113.5° | 91.7° |
| C | C1 | C2 | N | 109.2° | 178.4° |
| C | C1 | C2 | C8 | 117.8° | 120.0° |
| C | C1 | C2 | N1 | 124.6° | 120.0° |
| C | C1 | C8 | N2 | 88.6° | 85.0° |
| C | C1 | C8 | N1 | 117.1° | 120.1° |
| C | C1 | C8 | O1 | 91.2° | 95.0° |
| C | C1 | N1 | C4 | 71.7° | 179.3° |
| C | C1 | N1 | H1 | 48.9° | 55.4° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C | C1 | C2 | H19 | 11.1° | 58.4° |
| C | C1 | C2 | H20 | 130.5° | 61.6° |
| C12 | C11 | C10 | H16 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.7° | 180.0° |
| C11 | C12 | C13 | H10 | 179.7° | 180.0° |
| C5 | N | C2 | C3 | 123.7° | 123.8° |
| C5 | N | C2 | C1 | 167.2° | 176.8° |
| C5 | N | C3 | C4 | 171.8° | 176.8° |
| N | C5 | C6 | H6 | 133.4° | 22.7° |
| N | C5 | C6 | H7 | 6.9° | 108.9° |
| N | C5 | C7 | H8 | 5.4° | 109.1° |
| N | C5 | C7 | H9 | 131.7° | 22.6° |
| C5 | N | C2 | H19 | 46.9° | 63.2° |
| C5 | N | C2 | H20 | 72.5° | 56.8° |
| C5 | N | C3 | H21 | 51.9° | 63.2° |
| C5 | N | C3 | H22 | 68.3° | 56.9° |
| C11 | C10 | C9 | N2 | 145.5° | 89.9° |
| C11 | C10 | C15 | H11 | 179.4° | 180.0° |
| C10 | C11 | C12 | H17 | 180.0° | 179.5° |
| C11 | C10 | C9 | H23 | 24.9° | 150.0° |
| C11 | C10 | C9 | H24 | 93.8° | 30.1° |
| C10 | C9 | N2 | H23 | 120.6° | 120.0° |
| C10 | C9 | N2 | H24 | 120.6° | 120.0° |
| C10 | C9 | N2 | C8 | 99.2° | 180.0° |
| C9 | C10 | C15 | H11 | 1.5° | 0.4° |
| C9 | C10 | C11 | H16 | 1.4° | 0.1° |
| C10 | C9 | H23 | H24 | 118.0° | 119.9° |
| C10 | C9 | N2 | H25 | 80.8° | 0.0° |
| N | C2 | C1 | H19 | 120.3° | 120.0° |
| N | C2 | C1 | H20 | 120.3° | 120.0° |
| N | C2 | C1 | C8 | 133.0° | 61.6° |
| N | C2 | C1 | N1 | 15.4° | 58.4° |
| C2 | N | C3 | C4 | 65.4° | 59.3° |
| C2 | N | C5 | H5 | 93.0° | 66.7° |
| N | C2 | H19 | H20 | 119.0° | 120.1° |
| C2 | N | C3 | H21 | 174.7° | 60.7° |
| C2 | N | C3 | H22 | 54.5° | 179.2° |
| C2 | C1 | C8 | N2 | 32.2° | 154.9° |
| C1 | C2 | N | C3 | 43.5° | 59.3° |
| C2 | C1 | C8 | N1 | 122.1° | 119.9° |
| C2 | C1 | C8 | O1 | 148.0° | 25.0° |
| C2 | C1 | N1 | C4 | 53.6° | 59.3° |
| C2 | C1 | N1 | H1 | 174.3° | 64.6° |
| C2 | C1 | C | H13 | 180.0° | 179.9° |
| C2 | C1 | C | H14 | 60.0° | 60.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C1 | C2 | H19 | H20 | 119.0° | 120.0° |
| C9 | N2 | C8 | H25 | 180.0° | 179.9° |
| C9 | N2 | C8 | C1 | 180.0° | 180.0° |
| C9 | N2 | C8 | O1 | 0.2° | 0.0° |
| N2 | C9 | H23 | H24 | 118.1° | 120.1° |
| N2 | C8 | C1 | O1 | 179.9° | 180.0° |
| N2 | C8 | C1 | N1 | 154.3° | 35.1° |
| C8 | N2 | C9 | H23 | 21.5° | 60.0° |
| C8 | N2 | C9 | H24 | 140.2° | 60.0° |
| N | C3 | C4 | H21 | 119.9° | 120.0° |
| N | C3 | C4 | H22 | 119.9° | 119.9° |
| N | C3 | C4 | N1 | 26.4° | 58.4° |
| N | C3 | C4 | H3 | 94.3° | 178.4° |
| N | C3 | C4 | H4 | 147.1° | 61.5° |
| C3 | N | C5 | H5 | 142.9° | 57.1° |
| C3 | N | C2 | H19 | 76.9° | 60.6° |
| C3 | N | C2 | H20 | 163.8° | 179.3° |
| N | C3 | H21 | H22 | 120.3° | 120.1° |
| C8 | C1 | N1 | C4 | 173.7° | 60.6° |
| C8 | C1 | N1 | H1 | 65.7° | 175.5° |
| C8 | C1 | C | H13 | 60.3° | 60.0° |
| C8 | C1 | C | H14 | 179.7° | 180.0° |
| C8 | C1 | C | H15 | 59.7° | 60.0° |
| C8 | C1 | C2 | H19 | 106.7° | 178.4° |
| C8 | C1 | C2 | H20 | 12.7° | 58.4° |
| C1 | C8 | N2 | H25 | 0.0° | 0.0° |
| C1 | N1 | C4 | C3 | 31.4° | 59.4° |
| N1 | C1 | C8 | O1 | 25.8° | 144.9° |
| C1 | N1 | C4 | H1 | 120.6° | 124.0° |
| C1 | N1 | C4 | H3 | 152.1° | 179.3° |
| C1 | N1 | C4 | H4 | 89.4° | 60.6° |
| N1 | C1 | C | H13 | 53.8° | 60.0° |
| N1 | C1 | C | H14 | 66.2° | 59.9° |
| N1 | C1 | C | H15 | 173.8° | 179.9° |
| N1 | C1 | C2 | H19 | 135.7° | 61.6° |
| N1 | C1 | C2 | H20 | 104.9° | 178.4° |
| C3 | C4 | N1 | H3 | 120.7° | 119.9° |
| C3 | C4 | N1 | H4 | 120.7° | 119.9° |
| C3 | C4 | N1 | H1 | 152.0° | 64.6° |
| C3 | C4 | H3 | H4 | 117.7° | 120.1° |
| C4 | C3 | H21 | H22 | 120.3° | 120.0° |
| O1 | C8 | N2 | H25 | 179.8° | 180.0° |
| N1 | C4 | H3 | H4 | 117.7° | 120.1° |
| N1 | C4 | C3 | H21 | 146.3° | 61.6° |
| N1 | C4 | C3 | H22 | 93.5° | 178.4° |
| H1 | N1 | C4 | H3 | 87.3° | 55.4° |
| H1 | N1 | C4 | H4 | 31.3° | 175.5° |
| H3 | C4 | C3 | H21 | 25.6° | 58.4° |
| H3 | C4 | C3 | H22 | 145.7° | 61.7° |
| H4 | C4 | C3 | H21 | 93.0° | 178.5° |
| H4 | C4 | C3 | H22 | 27.2° | 58.4° |
| H5 | C5 | C6 | H6 | 1.0° | 154.1° |
| H5 | C5 | C6 | H7 | 127.4° | 22.5° |
| H5 | C5 | C7 | H8 | 127.4° | 22.3° |
| H5 | C5 | C7 | H9 | 1.1° | 154.0° |
| H10 | C13 | C12 | H17 | 0.3° | 0.5° |
| H10 | C13 | C14 | H18 | 0.1° | 0.5° |
| H11 | C15 | C14 | H18 | 0.3° | 0.2° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H16 | C11 | C12 | H17 | 0.0° | 0.5° |
| H23 | C9 | N2 | H25 | 158.5° | 120.0° |
| H24 | C9 | N2 | H25 | 39.8° | 120.0° |
