L62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | O3 | sing | 1.35Å | 1.38Å | |
| C5 | N1 | sing | 1.35Å | 1.43Å | |
| O3 | C6 | sing | 1.45Å | 1.39Å | |
| C6 | C7 | sing | 1.54Å | 1.48Å | |
| C6 | C10 | sing | 1.54Å | 1.49Å | |
| C7 | C8 | sing | 1.54Å | 1.50Å | |
| C8 | C9 | sing | 1.55Å | 1.51Å | |
| C9 | C10 | sing | 1.55Å | 1.49Å | |
| N1 | C4 | sing | 1.46Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C4 | C11 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | HXT | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C5 | O3 | 118.4° | 120.0° |
| O2 | C5 | N1 | 120.7° | 120.0° |
| O3 | C5 | N1 | 120.8° | 120.0° |
| C5 | O3 | C6 | 119.3° | 117.0° |
| C5 | N1 | C4 | 111.5° | 120.0° |
| C5 | N1 | H1 | 124.3° | 120.0° |
| O3 | C6 | C7 | 108.0° | 110.0° |
| O3 | C6 | C10 | 110.4° | 110.1° |
| O3 | C6 | H6 | 110.8° | 110.0° |
| C7 | C6 | C10 | 108.9° | 106.6° |
| C6 | C7 | C8 | 99.5° | 106.6° |
| C7 | C6 | H6 | 109.5° | 110.0° |
| C6 | C7 | H71C | 111.9° | 110.0° |
| C6 | C7 | H72C | 111.9° | 110.0° |
| C6 | C10 | C9 | 104.1° | 104.2° |
| C10 | C6 | H6 | 109.3° | 110.1° |
| C6 | C10 | H101 | 110.8° | 110.4° |
| C6 | C10 | H102 | 110.8° | 110.5° |
| C7 | C8 | C9 | 102.8° | 104.2° |
| C8 | C7 | H71C | 111.9° | 110.0° |
| C8 | C7 | H72C | 111.9° | 110.1° |
| C7 | C8 | H81C | 111.1° | 110.5° |
| C7 | C8 | H82C | 111.1° | 110.5° |
| C8 | C9 | C10 | 104.4° | 102.8° |
| C9 | C8 | H81C | 111.1° | 110.5° |
| C9 | C8 | H82C | 111.1° | 110.5° |
| C8 | C9 | H91C | 110.7° | 110.8° |
| C8 | C9 | H92C | 110.7° | 110.8° |
| C9 | C10 | H101 | 110.8° | 110.4° |
| C9 | C10 | H102 | 110.8° | 110.5° |
| C10 | C9 | H91C | 110.7° | 110.7° |
| C10 | C9 | H92C | 110.7° | 110.7° |
| N1 | C4 | C3 | 108.6° | 109.5° |
| N1 | C4 | C11 | 110.4° | 109.5° |
| C4 | N1 | H1 | 124.3° | 120.0° |
| N1 | C4 | H4 | 109.7° | 109.5° |
| C3 | C4 | C11 | 110.3° | 109.5° |
| C4 | C3 | C2 | 108.5° | 109.5° |
| C3 | C4 | H4 | 108.9° | 109.5° |
| C4 | C3 | H31C | 109.7° | 109.5° |
| C4 | C3 | H32C | 109.7° | 109.5° |
| C4 | C11 | C12 | 119.8° | 120.0° |
| C4 | C11 | C16 | 121.1° | 120.0° |
| C11 | C4 | H4 | 108.9° | 109.5° |
| C3 | C2 | O1 | 119.5° | 120.0° |
| C3 | C2 | HXT | 120.2° | 120.0° |
| C2 | C3 | H31C | 109.7° | 109.4° |
| C2 | C3 | H32C | 109.7° | 109.4° |
| O1 | C2 | HXT | 120.3° | 120.0° |
| C12 | C11 | C16 | 119.0° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | H12 | 119.8° | 120.0° |
| C11 | C16 | C15 | 120.8° | 120.0° |
| C11 | C16 | H16 | 119.6° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C15 | C16 | H16 | 119.6° | 120.0° |
| C16 | C15 | H15 | 120.1° | 120.0° |
| H71C | C7 | H72C | 109.5° | 110.1° |
| H101 | C10 | H102 | 109.5° | 110.6° |
| H81C | C8 | H82C | 109.5° | 110.6° |
| H91C | C9 | H92C | 109.5° | 110.8° |
| H31C | C3 | H32C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C5 | O3 | N1 | 177.3° | 179.7° |
| O2 | C5 | O3 | C6 | 21.7° | 0.0° |
| O2 | C5 | N1 | C4 | 9.5° | 0.0° |
| O2 | C5 | N1 | H1 | 170.5° | 180.0° |
| C5 | O3 | C6 | C7 | 99.1° | 150.0° |
| C5 | O3 | C6 | C10 | 142.0° | 92.8° |
| O3 | C5 | N1 | C4 | 173.2° | 179.7° |
| O3 | C5 | N1 | H1 | 6.8° | 0.3° |
| C5 | O3 | C6 | H6 | 20.8° | 28.6° |
| N1 | C5 | O3 | C6 | 155.7° | 179.7° |
| C5 | N1 | C4 | H1 | 180.0° | 180.0° |
| C5 | N1 | C4 | C3 | 125.2° | 85.0° |
| C5 | N1 | C4 | C11 | 113.8° | 155.0° |
| C5 | N1 | C4 | H4 | 6.2° | 35.0° |
| O3 | C6 | C7 | C10 | 119.9° | 119.3° |
| O3 | C6 | C7 | H6 | 120.7° | 121.4° |
| O3 | C6 | C10 | H6 | 122.1° | 121.4° |
| O3 | C6 | C7 | C8 | 84.8° | 119.3° |
| O3 | C6 | C10 | C9 | 106.7° | 142.9° |
| O3 | C6 | C7 | H71C | 156.8° | 121.4° |
| O3 | C6 | C7 | H72C | 33.6° | 0.0° |
| O3 | C6 | C10 | H101 | 12.4° | 24.3° |
| O3 | C6 | C10 | H102 | 134.2° | 98.4° |
| C7 | C6 | C10 | H6 | 119.5° | 119.3° |
| C6 | C7 | C8 | H71C | 118.3° | 119.3° |
| C6 | C7 | C8 | H72C | 118.4° | 119.3° |
| C6 | C7 | C8 | C9 | 44.4° | 23.6° |
| C7 | C6 | C10 | C9 | 11.7° | 23.6° |
| C6 | C7 | H71C | H72C | 124.6° | 121.4° |
| C7 | C6 | C10 | H101 | 130.8° | 95.0° |
| C7 | C6 | C10 | H102 | 107.4° | 142.3° |
| C6 | C7 | C8 | H81C | 163.4° | 142.3° |
| C6 | C7 | C8 | H82C | 74.5° | 95.1° |
| C10 | C6 | C7 | C8 | 35.1° | 0.0° |
| C6 | C10 | C9 | C8 | 16.7° | 37.9° |
| C6 | C10 | C9 | H101 | 119.1° | 118.6° |
| C6 | C10 | C9 | H102 | 119.2° | 118.7° |
| C10 | C6 | C7 | H71C | 83.3° | 119.3° |
| C10 | C6 | C7 | H72C | 153.5° | 119.3° |
| C6 | C10 | H101 | H102 | 122.5° | 122.6° |
| C6 | C10 | C9 | H91C | 102.5° | 80.4° |
| C6 | C10 | C9 | H92C | 135.9° | 156.2° |
| C7 | C8 | C9 | H81C | 118.9° | 118.7° |
| C7 | C8 | C9 | H82C | 118.9° | 118.6° |
| C7 | C8 | C9 | C10 | 38.9° | 37.9° |
| C8 | C7 | C6 | H6 | 154.5° | 119.3° |
| C8 | C7 | H71C | H72C | 124.7° | 121.5° |
| C7 | C8 | H81C | H82C | 123.1° | 122.6° |
| C7 | C8 | C9 | H91C | 80.3° | 80.4° |
| C7 | C8 | C9 | H92C | 158.1° | 156.2° |
| C8 | C9 | C10 | H91C | 119.2° | 118.4° |
| C8 | C9 | C10 | H92C | 119.2° | 118.3° |
| C9 | C8 | C7 | H71C | 73.9° | 95.7° |
| C9 | C8 | C7 | H72C | 162.8° | 142.9° |
| C8 | C9 | C10 | H101 | 102.4° | 80.7° |
| C8 | C9 | C10 | H102 | 135.8° | 156.6° |
| C9 | C8 | H81C | H82C | 123.1° | 122.6° |
| C8 | C9 | H91C | H92C | 122.4° | 123.4° |
| C9 | C10 | C6 | H6 | 131.2° | 95.7° |
| C9 | C10 | H101 | H102 | 122.5° | 122.6° |
| C10 | C9 | C8 | H81C | 157.8° | 156.6° |
| C10 | C9 | C8 | H82C | 80.0° | 80.7° |
| C10 | C9 | H91C | H92C | 122.3° | 123.3° |
| N1 | C4 | C3 | C11 | 121.2° | 120.0° |
| N1 | C4 | C3 | H4 | 119.4° | 120.0° |
| N1 | C4 | C11 | H4 | 120.5° | 120.0° |
| N1 | C4 | C3 | C2 | 53.9° | 65.0° |
| N1 | C4 | C11 | C12 | 137.8° | 139.9° |
| N1 | C4 | C11 | C16 | 42.7° | 39.7° |
| N1 | C4 | C3 | H31C | 173.7° | 175.0° |
| N1 | C4 | C3 | H32C | 66.0° | 55.0° |
| C3 | C4 | C11 | H4 | 119.4° | 120.0° |
| C4 | C3 | C2 | H31C | 119.9° | 120.0° |
| C4 | C3 | C2 | H32C | 119.8° | 120.0° |
| C4 | C3 | C2 | O1 | 54.0° | 125.0° |
| C4 | C3 | C2 | HXT | 126.0° | 55.0° |
| C3 | C4 | C11 | C12 | 17.8° | 100.0° |
| C3 | C4 | C11 | C16 | 162.8° | 80.3° |
| C3 | C4 | N1 | H1 | 54.8° | 95.0° |
| C4 | C3 | H31C | H32C | 120.5° | 120.1° |
| C11 | C4 | C3 | C2 | 175.0° | 175.0° |
| C4 | C11 | C12 | C16 | 179.4° | 179.7° |
| C4 | C11 | C12 | C13 | 179.9° | 180.0° |
| C4 | C11 | C16 | C15 | 179.6° | 179.8° |
| C11 | C4 | N1 | H1 | 66.2° | 25.0° |
| C11 | C4 | C3 | H31C | 65.1° | 55.0° |
| C11 | C4 | C3 | H32C | 55.2° | 65.0° |
| C4 | C11 | C12 | H12 | 0.1° | 0.1° |
| C4 | C11 | C16 | H16 | 0.4° | 0.0° |
| C3 | C2 | O1 | HXT | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 65.6° | 55.0° |
| C2 | C3 | H31C | H32C | 120.4° | 119.9° |
| O1 | C2 | C3 | H31C | 65.9° | 5.0° |
| O1 | C2 | C3 | H32C | 173.8° | 115.0° |
| HXT | C2 | C3 | H31C | 114.1° | 175.0° |
| HXT | C2 | C3 | H32C | 6.2° | 65.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| C12 | C11 | C16 | C15 | 0.1° | 0.6° |
| C12 | C11 | C4 | H4 | 101.7° | 19.9° |
| C12 | C11 | C16 | H16 | 179.9° | 179.7° |
| C11 | C12 | C13 | H13 | 179.6° | 179.9° |
| C16 | C11 | C12 | C13 | 0.6° | 0.4° |
| C11 | C16 | C15 | C14 | 0.6° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C11 | C4 | H4 | 77.8° | 159.7° |
| C16 | C11 | C12 | H12 | 179.4° | 179.8° |
| C11 | C16 | C15 | H15 | 179.4° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H14 | 179.7° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.2° |
| C14 | C13 | C12 | H12 | 179.6° | 179.9° |
| C13 | C14 | C15 | H15 | 179.2° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.4° | 179.8° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| C16 | C15 | C14 | H14 | 179.2° | 179.8° |
| H1 | N1 | C4 | H4 | 173.8° | 145.0° |
| H6 | C6 | C7 | H71C | 36.1° | 0.0° |
| H6 | C6 | C7 | H72C | 87.1° | 121.4° |
| H6 | C6 | C10 | H101 | 109.7° | 145.7° |
| H6 | C6 | C10 | H102 | 12.1° | 23.0° |
| H71C | C7 | C8 | H81C | 45.0° | 23.0° |
| H71C | C7 | C8 | H82C | 167.2° | 145.7° |
| H72C | C7 | C8 | H81C | 78.3° | 98.4° |
| H72C | C7 | C8 | H82C | 43.9° | 24.2° |
| H101 | C10 | C9 | H91C | 138.4° | 161.0° |
| H101 | C10 | C9 | H92C | 16.8° | 37.6° |
| H102 | C10 | C9 | H91C | 16.7° | 38.3° |
| H102 | C10 | C9 | H92C | 104.9° | 85.0° |
| H81C | C8 | C9 | H91C | 38.7° | 38.3° |
| H81C | C8 | C9 | H92C | 83.0° | 85.1° |
| H82C | C8 | C9 | H91C | 160.8° | 161.0° |
| H82C | C8 | C9 | H92C | 39.2° | 37.6° |
| H4 | C4 | C3 | H31C | 54.3° | 65.0° |
| H4 | C4 | C3 | H32C | 174.6° | 175.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.0° |
| H16 | C16 | C15 | H15 | 0.6° | 0.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.0° |
| H14 | C14 | C15 | H15 | 0.8° | 0.0° |
