L6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| O1 | C5 | sing | 1.34Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.34Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.35Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C9 | sing | 1.36Å | 1.39Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| N2 | C16 | sing | 1.47Å | 1.33Å | |
| N2 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | O36 | doub | 1.21Å | 1.26Å | |
| C35 | O37 | sing | 1.34Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 1.01Å | 1.00Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H19 | sing | 1.01Å | 1.00Å | |
| N1 | H20 | sing | 1.01Å | 1.00Å | |
| O37 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 111.7° | 109.5° |
| N1 | C1 | H1 | 108.9° | 109.5° |
| N1 | C1 | H2 | 108.9° | 109.4° |
| C1 | N1 | H19 | 109.5° | 111.0° |
| C1 | N1 | H20 | 109.4° | 111.0° |
| C5 | O1 | C2 | 108.2° | 109.5° |
| O1 | C5 | C4 | 110.0° | 108.4° |
| O1 | C5 | H4 | 125.0° | 125.9° |
| O1 | C2 | C1 | 125.0° | 125.8° |
| O1 | C2 | C3 | 107.2° | 108.4° |
| C1 | C2 | C3 | 127.9° | 125.8° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C5 | C4 | C3 | 105.2° | 106.8° |
| C5 | C4 | C13 | 124.0° | 126.6° |
| C4 | C5 | H4 | 125.0° | 125.7° |
| C2 | C3 | C4 | 109.4° | 106.9° |
| C2 | C3 | H3 | 125.3° | 126.5° |
| C3 | C4 | C13 | 130.8° | 126.6° |
| C4 | C3 | H3 | 125.3° | 126.6° |
| C4 | C13 | O2 | 114.8° | 109.5° |
| C4 | C13 | H17 | 108.1° | 109.5° |
| C4 | C13 | H18 | 108.1° | 109.5° |
| C13 | O2 | C9 | 124.9° | 117.0° |
| O2 | C13 | H17 | 108.1° | 109.5° |
| O2 | C13 | H18 | 108.1° | 109.4° |
| O2 | C9 | C10 | 123.6° | 120.1° |
| O2 | C9 | C8 | 117.4° | 120.0° |
| C10 | C9 | C8 | 119.0° | 119.9° |
| C9 | C10 | C11 | 120.3° | 119.9° |
| C9 | C10 | H14 | 119.9° | 120.0° |
| C9 | C8 | C7 | 121.0° | 120.0° |
| C9 | C8 | H16 | 119.5° | 120.0° |
| C10 | C11 | C6 | 119.8° | 120.1° |
| C10 | C11 | H13 | 120.1° | 120.0° |
| C11 | C10 | H14 | 119.9° | 120.1° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | H15 | 120.1° | 120.0° |
| C7 | C8 | H16 | 119.5° | 120.0° |
| C11 | C6 | C7 | 120.1° | 120.1° |
| C11 | C6 | C12 | 120.6° | 119.9° |
| C6 | C11 | H13 | 120.1° | 120.0° |
| C7 | C6 | C12 | 119.3° | 119.9° |
| C6 | C7 | H15 | 120.1° | 120.0° |
| C6 | C12 | C15 | 108.7° | 109.5° |
| C6 | C12 | H11 | 109.7° | 109.5° |
| C6 | C12 | H12 | 109.7° | 109.5° |
| C12 | C15 | N2 | 108.3° | 109.5° |
| C12 | C15 | C35 | 109.0° | 109.5° |
| C12 | C15 | H10 | 107.5° | 109.5° |
| C15 | C12 | H11 | 109.7° | 109.5° |
| C15 | C12 | H12 | 109.7° | 109.4° |
| C16 | N2 | C15 | 124.8° | 111.0° |
| N2 | C16 | H5 | 109.5° | 109.5° |
| N2 | C16 | H6 | 109.5° | 109.4° |
| N2 | C16 | H7 | 109.5° | 109.5° |
| C16 | N2 | H8 | 105.5° | 111.0° |
| N2 | C15 | C35 | 115.9° | 109.4° |
| C15 | N2 | H8 | 105.5° | 111.0° |
| N2 | C15 | H10 | 108.2° | 109.5° |
| C15 | C35 | O36 | 118.1° | 120.0° |
| C15 | C35 | O37 | 118.8° | 119.9° |
| C35 | C15 | H10 | 107.7° | 109.5° |
| O36 | C35 | O37 | 123.1° | 120.0° |
| C35 | O37 | H22 | 109.5° | 116.9° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | N1 | H20 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O1 | 10.7° | 90.0° |
| N1 | C1 | C2 | H1 | 120.3° | 120.1° |
| N1 | C1 | C2 | H2 | 120.3° | 119.9° |
| N1 | C1 | C2 | C3 | 170.1° | 90.0° |
| N1 | C1 | H1 | H2 | 119.0° | 119.9° |
| C1 | N1 | H19 | H20 | 120.0° | 123.9° |
| C5 | O1 | C2 | C1 | 179.8° | 180.0° |
| O1 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | O1 | C2 | C3 | 0.4° | 0.0° |
| O1 | C5 | C4 | C3 | 0.4° | 0.0° |
| O1 | C5 | C4 | C13 | 179.6° | 180.0° |
| O1 | C2 | C1 | C3 | 179.2° | 180.0° |
| C2 | O1 | C5 | C4 | 0.0° | 0.0° |
| O1 | C2 | C3 | C4 | 0.7° | 0.0° |
| O1 | C2 | C1 | H1 | 131.0° | 30.1° |
| O1 | C2 | C1 | H2 | 109.7° | 150.0° |
| O1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | O1 | C5 | H4 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | C1 | H1 | H2 | 119.0° | 120.0° |
| C1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C2 | C1 | N1 | H19 | 180.0° | 56.1° |
| C2 | C1 | N1 | H20 | 60.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C5 | C4 | C3 | C13 | 179.1° | 180.0° |
| C5 | C4 | C13 | O2 | 143.3° | 90.0° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| C5 | C4 | C13 | H17 | 95.9° | 150.0° |
| C5 | C4 | C13 | H18 | 22.5° | 30.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C13 | 179.8° | 180.0° |
| C3 | C2 | C1 | H1 | 49.8° | 150.0° |
| C3 | C2 | C1 | H2 | 69.5° | 30.0° |
| C3 | C4 | C13 | O2 | 37.7° | 90.0° |
| C3 | C4 | C5 | H4 | 179.6° | 180.0° |
| C3 | C4 | C13 | H17 | 83.1° | 30.1° |
| C3 | C4 | C13 | H18 | 158.5° | 150.0° |
| C4 | C13 | O2 | H17 | 120.8° | 120.0° |
| C4 | C13 | O2 | H18 | 120.8° | 120.0° |
| C4 | C13 | O2 | C9 | 162.3° | 180.0° |
| C13 | C4 | C3 | H3 | 0.2° | 0.1° |
| C13 | C4 | C5 | H4 | 0.4° | 0.0° |
| C4 | C13 | H17 | H18 | 117.6° | 120.0° |
| C13 | O2 | C9 | C10 | 9.6° | 180.0° |
| C13 | O2 | C9 | C8 | 169.8° | 0.2° |
| O2 | C13 | H17 | H18 | 117.6° | 120.0° |
| O2 | C9 | C10 | C8 | 179.4° | 179.8° |
| O2 | C9 | C10 | C11 | 179.9° | 179.9° |
| O2 | C9 | C8 | C7 | 179.3° | 179.9° |
| O2 | C9 | C10 | H14 | 0.1° | 0.1° |
| O2 | C9 | C8 | H16 | 0.7° | 0.0° |
| C9 | O2 | C13 | H17 | 41.5° | 60.0° |
| C9 | O2 | C13 | H18 | 76.9° | 60.0° |
| C9 | C10 | C11 | H14 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 1.3° | 0.3° |
| C9 | C10 | C11 | C6 | 0.1° | 0.0° |
| C9 | C10 | C11 | H13 | 179.9° | 180.0° |
| C10 | C9 | C8 | H16 | 178.7° | 179.8° |
| C8 | C9 | C10 | C11 | 0.5° | 0.3° |
| C9 | C8 | C7 | H16 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 1.6° | 0.0° |
| C8 | C9 | C10 | H14 | 179.5° | 179.7° |
| C9 | C8 | C7 | H15 | 178.3° | 180.0° |
| C10 | C11 | C6 | H13 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.5° | 0.2° |
| C10 | C11 | C6 | C12 | 179.8° | 180.0° |
| C8 | C7 | C6 | C11 | 1.2° | 0.2° |
| C8 | C7 | C6 | H15 | 180.0° | 180.0° |
| C8 | C7 | C6 | C12 | 179.5° | 180.0° |
| C11 | C6 | C7 | C12 | 179.3° | 179.8° |
| C11 | C6 | C12 | C15 | 136.6° | 89.9° |
| C11 | C6 | C12 | H11 | 103.5° | 150.0° |
| C11 | C6 | C12 | H12 | 16.8° | 30.1° |
| C6 | C11 | C10 | H14 | 179.9° | 180.0° |
| C11 | C6 | C7 | H15 | 178.8° | 179.8° |
| C7 | C6 | C12 | C15 | 42.7° | 90.2° |
| C7 | C6 | C12 | H11 | 77.2° | 29.8° |
| C7 | C6 | C12 | H12 | 162.5° | 149.8° |
| C7 | C6 | C11 | H13 | 179.5° | 179.7° |
| C6 | C7 | C8 | H16 | 178.4° | 179.9° |
| C6 | C12 | C15 | H11 | 119.9° | 120.1° |
| C6 | C12 | C15 | H12 | 119.9° | 120.0° |
| C6 | C12 | C15 | N2 | 67.4° | 65.0° |
| C6 | C12 | C15 | C35 | 165.7° | 175.0° |
| C6 | C12 | C15 | H10 | 49.3° | 55.0° |
| C6 | C12 | H11 | H12 | 120.4° | 120.0° |
| C12 | C6 | C11 | H13 | 0.2° | 0.1° |
| C12 | C6 | C7 | H15 | 0.6° | 0.0° |
| C12 | C15 | N2 | C16 | 109.9° | 154.5° |
| C12 | C15 | N2 | C35 | 122.9° | 120.0° |
| C12 | C15 | N2 | H10 | 116.2° | 120.0° |
| C12 | C15 | C35 | H10 | 116.3° | 120.0° |
| C12 | C15 | C35 | O36 | 59.0° | 93.6° |
| C12 | C15 | C35 | O37 | 120.3° | 86.4° |
| C12 | C15 | N2 | H8 | 128.0° | 30.5° |
| C15 | C12 | H11 | H12 | 120.4° | 119.9° |
| C16 | N2 | C15 | H8 | 122.1° | 123.9° |
| C16 | N2 | C15 | C35 | 12.9° | 85.5° |
| N2 | C16 | H5 | H6 | 120.0° | 120.0° |
| N2 | C16 | H5 | H7 | 120.0° | 120.0° |
| N2 | C16 | H6 | H7 | 120.0° | 119.9° |
| C16 | N2 | C15 | H10 | 133.9° | 34.4° |
| N2 | C15 | C35 | H10 | 121.2° | 120.0° |
| N2 | C15 | C35 | O36 | 63.5° | 26.4° |
| N2 | C15 | C35 | O37 | 117.3° | 153.6° |
| C15 | N2 | C16 | H5 | 180.0° | 64.6° |
| C15 | N2 | C16 | H6 | 60.0° | 55.5° |
| C15 | N2 | C16 | H7 | 60.0° | 175.4° |
| N2 | C15 | C12 | H11 | 172.7° | 174.9° |
| N2 | C15 | C12 | H12 | 52.5° | 55.0° |
| C15 | C35 | O36 | O37 | 179.2° | 180.0° |
| C35 | C15 | N2 | H8 | 109.2° | 150.5° |
| C35 | C15 | C12 | H11 | 45.8° | 55.0° |
| C35 | C15 | C12 | H12 | 74.5° | 65.0° |
| C15 | C35 | O37 | H22 | 179.2° | 180.0° |
| O36 | C35 | C15 | H10 | 175.3° | 146.4° |
| O36 | C35 | O37 | H22 | 0.0° | 0.0° |
| O37 | C35 | C15 | H10 | 4.0° | 33.6° |
| H1 | C1 | N1 | H19 | 59.7° | 64.0° |
| H1 | C1 | N1 | H20 | 60.3° | 59.9° |
| H2 | C1 | N1 | H19 | 59.7° | 176.1° |
| H2 | C1 | N1 | H20 | 179.7° | 60.1° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H5 | C16 | N2 | H8 | 57.9° | 59.3° |
| H6 | C16 | N2 | H8 | 62.1° | 179.4° |
| H7 | C16 | N2 | H8 | 177.9° | 60.7° |
| H8 | N2 | C15 | H10 | 11.8° | 89.5° |
| H10 | C15 | C12 | H11 | 70.6° | 65.0° |
| H10 | C15 | C12 | H12 | 169.1° | 175.0° |
| H13 | C11 | C10 | H14 | 0.1° | 0.0° |
| H15 | C7 | C8 | H16 | 1.6° | 0.1° |
