L6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C08 | sing | 1.51Å | 1.49Å | |
| C10 | C12 | sing | 1.55Å | 1.35Å | |
| C13 | C12 | sing | 1.55Å | 1.59Å | |
| C13 | C14 | sing | 1.54Å | 1.63Å | |
| C15 | C17 | sing | 1.51Å | 1.54Å | |
| C15 | C11 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | O18 | doub | 1.21Å | 1.27Å | |
| C17 | O19 | sing | 1.34Å | 1.27Å | |
| C22 | O07 | sing | 1.43Å | 1.36Å | |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| C01 | O07 | sing | 1.36Å | 1.39Å | |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C08 | sing | 1.47Å | 1.58Å | |
| C08 | O09 | doub | 1.21Å | 1.16Å | |
| C11 | C14 | sing | 1.54Å | 1.32Å | |
| C16 | O20 | doub | 1.21Å | 1.26Å | |
| C16 | O21 | sing | 1.34Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| O21 | H20 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | sing | 1.54Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C10 | C12 | 105.0° | 110.5° |
| C10 | C08 | C06 | 124.1° | 120.0° |
| C10 | C08 | O09 | 113.5° | 120.0° |
| C08 | C10 | H1 | 112.7° | 110.5° |
| C08 | C10 | C11 | 106.1° | 110.5° |
| C10 | C12 | C13 | 105.9° | 102.8° |
| C12 | C10 | H1 | 115.2° | 110.4° |
| C10 | C12 | H15 | 110.3° | 110.8° |
| C10 | C12 | H16 | 110.3° | 110.8° |
| C12 | C10 | C11 | 107.7° | 104.2° |
| C12 | C13 | C14 | 102.8° | 104.2° |
| C12 | C13 | H3 | 111.1° | 110.6° |
| C12 | C13 | H4 | 111.1° | 110.5° |
| C13 | C12 | H15 | 110.4° | 110.7° |
| C13 | C12 | H16 | 110.4° | 110.8° |
| C13 | C14 | C11 | 103.4° | 106.6° |
| C14 | C13 | H3 | 111.1° | 110.5° |
| C14 | C13 | H4 | 111.2° | 110.4° |
| C13 | C14 | H17 | 110.9° | 110.0° |
| C13 | C14 | H18 | 110.9° | 110.1° |
| C17 | C15 | C11 | 115.4° | 109.4° |
| C17 | C15 | C16 | 106.5° | 109.4° |
| C15 | C17 | O18 | 121.3° | 120.0° |
| C15 | C17 | O19 | 118.7° | 120.0° |
| C17 | C15 | H5 | 106.9° | 109.5° |
| C11 | C15 | C16 | 113.8° | 109.4° |
| C15 | C11 | C14 | 113.5° | 110.0° |
| C11 | C15 | H5 | 106.8° | 109.5° |
| C15 | C11 | H13 | 107.8° | 110.0° |
| C15 | C11 | C10 | 113.8° | 110.0° |
| C15 | C16 | O20 | 121.1° | 120.0° |
| C15 | C16 | O21 | 119.2° | 120.0° |
| C16 | C15 | H5 | 107.0° | 109.5° |
| O18 | C17 | O19 | 120.0° | 120.0° |
| C17 | O19 | H19 | 109.5° | 117.0° |
| C22 | O07 | C01 | 110.3° | 117.0° |
| O07 | C22 | H6 | 109.5° | 109.5° |
| O07 | C22 | H7 | 109.5° | 109.5° |
| O07 | C22 | H8 | 109.4° | 109.5° |
| C02 | C01 | C06 | 121.4° | 119.7° |
| C02 | C01 | O07 | 118.3° | 120.2° |
| C01 | C02 | C03 | 121.0° | 120.1° |
| C01 | C02 | H9 | 119.5° | 120.0° |
| C06 | C01 | O07 | 120.3° | 120.1° |
| C01 | C06 | C05 | 117.1° | 119.5° |
| C01 | C06 | C08 | 123.4° | 120.2° |
| C02 | C03 | C04 | 117.7° | 120.4° |
| C03 | C02 | H9 | 119.5° | 119.9° |
| C02 | C03 | H10 | 121.2° | 119.8° |
| C03 | C04 | C05 | 121.7° | 120.4° |
| C04 | C03 | H10 | 121.2° | 119.8° |
| C03 | C04 | H11 | 119.1° | 119.9° |
| C04 | C05 | C06 | 121.1° | 119.9° |
| C05 | C04 | H11 | 119.1° | 119.8° |
| C04 | C05 | H12 | 119.4° | 120.1° |
| C05 | C06 | C08 | 119.5° | 120.2° |
| C06 | C05 | H12 | 119.4° | 120.1° |
| C06 | C08 | O09 | 122.4° | 120.0° |
| C14 | C11 | H13 | 111.0° | 110.1° |
| C11 | C14 | H17 | 111.0° | 110.0° |
| C11 | C14 | H18 | 111.0° | 110.1° |
| C14 | C11 | C10 | 104.5° | 106.6° |
| O20 | C16 | O21 | 119.7° | 120.0° |
| C16 | O21 | H20 | 109.5° | 116.9° |
| H1 | C10 | C11 | 109.6° | 110.6° |
| H3 | C13 | H4 | 109.5° | 110.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H13 | C11 | C10 | 106.0° | 110.0° |
| H15 | C12 | H16 | 109.5° | 110.7° |
| H17 | C14 | H18 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C10 | C12 | H1 | 124.6° | 122.5° |
| C08 | C10 | C12 | C11 | 112.8° | 118.7° |
| C08 | C10 | C12 | C13 | 108.9° | 156.6° |
| C08 | C10 | C11 | C15 | 100.9° | 98.5° |
| C10 | C08 | C06 | C01 | 143.5° | 180.0° |
| C10 | C08 | C06 | C05 | 36.4° | 0.0° |
| C10 | C08 | C06 | O09 | 178.7° | 179.9° |
| C08 | C10 | C11 | C14 | 134.8° | 142.3° |
| C08 | C10 | H1 | C11 | 117.9° | 122.6° |
| C08 | C10 | C11 | H13 | 17.4° | 22.9° |
| C08 | C10 | C12 | H15 | 10.6° | 38.3° |
| C08 | C10 | C12 | H16 | 131.7° | 85.0° |
| C10 | C12 | C13 | H15 | 119.4° | 118.3° |
| C10 | C12 | C13 | H16 | 119.4° | 118.4° |
| C10 | C12 | C13 | C14 | 24.2° | 37.9° |
| C12 | C10 | C11 | C15 | 147.1° | 142.8° |
| C12 | C10 | C08 | C06 | 97.1° | 86.5° |
| C12 | C10 | C08 | O09 | 81.7° | 93.6° |
| C12 | C10 | C11 | C14 | 22.8° | 23.6° |
| C12 | C10 | H1 | C11 | 121.6° | 114.8° |
| C10 | C12 | C13 | H3 | 94.7° | 156.6° |
| C10 | C12 | C13 | H4 | 143.2° | 80.7° |
| C12 | C10 | C11 | H13 | 94.6° | 95.8° |
| C10 | C12 | H15 | H16 | 121.6° | 123.3° |
| C12 | C13 | C14 | H3 | 118.9° | 118.8° |
| C12 | C13 | C14 | H4 | 118.9° | 118.7° |
| C12 | C13 | C14 | C11 | 39.8° | 23.6° |
| C13 | C12 | C10 | H1 | 126.5° | 80.8° |
| C12 | C13 | H3 | H4 | 123.1° | 122.7° |
| C13 | C12 | H15 | H16 | 121.7° | 123.3° |
| C12 | C13 | C14 | H17 | 158.9° | 95.7° |
| C12 | C13 | C14 | H18 | 79.2° | 142.9° |
| C13 | C12 | C10 | C11 | 3.9° | 37.9° |
| C13 | C14 | C11 | C15 | 160.8° | 119.3° |
| C13 | C14 | C11 | H17 | 119.0° | 119.3° |
| C13 | C14 | C11 | H18 | 119.0° | 119.4° |
| C14 | C13 | H3 | H4 | 123.2° | 122.5° |
| C13 | C14 | C11 | H13 | 77.6° | 119.3° |
| C14 | C13 | C12 | H15 | 143.7° | 80.4° |
| C14 | C13 | C12 | H16 | 95.2° | 156.3° |
| C13 | C14 | H17 | H18 | 122.8° | 121.5° |
| C13 | C14 | C11 | C10 | 36.3° | 0.0° |
| C17 | C15 | C11 | C16 | 123.6° | 119.9° |
| C17 | C15 | C11 | H5 | 118.6° | 120.0° |
| C17 | C15 | C16 | H5 | 114.0° | 120.0° |
| C15 | C17 | O18 | O19 | 179.0° | 179.9° |
| C17 | C15 | C11 | C14 | 62.9° | 62.9° |
| C17 | C15 | C16 | O20 | 140.0° | 0.1° |
| C17 | C15 | C16 | O21 | 38.6° | 180.0° |
| C17 | C15 | C11 | H13 | 60.5° | 58.6° |
| C15 | C17 | O19 | H19 | 179.0° | 179.9° |
| C17 | C15 | C11 | C10 | 177.7° | 180.0° |
| C11 | C15 | C16 | H5 | 117.6° | 120.1° |
| C11 | C15 | C17 | O18 | 6.6° | 0.1° |
| C11 | C15 | C17 | O19 | 172.4° | 180.0° |
| C15 | C11 | C14 | H13 | 121.6° | 121.4° |
| C15 | C11 | C14 | C10 | 124.6° | 119.3° |
| C11 | C15 | C16 | O20 | 91.6° | 120.0° |
| C11 | C15 | C16 | O21 | 89.7° | 60.1° |
| C15 | C11 | C10 | H1 | 21.1° | 24.2° |
| C15 | C11 | H13 | C10 | 122.2° | 121.4° |
| C15 | C11 | C14 | H17 | 80.2° | 121.4° |
| C15 | C11 | C14 | H18 | 41.9° | 0.1° |
| C16 | C15 | C17 | O18 | 134.0° | 120.0° |
| C16 | C15 | C17 | O19 | 45.0° | 60.1° |
| C16 | C15 | C11 | C14 | 173.5° | 177.2° |
| C15 | C16 | O20 | O21 | 178.7° | 179.9° |
| C16 | C15 | C11 | H13 | 63.1° | 61.3° |
| C15 | C16 | O21 | H20 | 178.7° | 179.9° |
| C16 | C15 | C11 | C10 | 54.1° | 60.1° |
| O18 | C17 | C15 | H5 | 111.9° | 119.9° |
| O18 | C17 | O19 | H19 | 0.0° | 0.0° |
| O19 | C17 | C15 | H5 | 69.1° | 60.0° |
| C22 | O07 | C01 | C02 | 99.7° | 0.0° |
| C22 | O07 | C01 | C06 | 79.6° | 179.7° |
| O07 | C22 | H6 | H7 | 120.0° | 120.0° |
| O07 | C22 | H6 | H8 | 120.0° | 120.0° |
| O07 | C22 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | C06 | O07 | 179.3° | 179.8° |
| C01 | C02 | C03 | H9 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C02 | C01 | C06 | C08 | 179.8° | 180.0° |
| C01 | C02 | C03 | H10 | 179.8° | 180.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C01 | C06 | C05 | C08 | 179.8° | 180.0° |
| C01 | C06 | C08 | O09 | 37.8° | 0.0° |
| C06 | C01 | C02 | H9 | 179.5° | 180.0° |
| C01 | C06 | C05 | H12 | 180.0° | 180.0° |
| O07 | C01 | C02 | C03 | 179.8° | 179.7° |
| O07 | C01 | C06 | C05 | 179.7° | 179.7° |
| O07 | C01 | C06 | C08 | 0.5° | 0.3° |
| C01 | O07 | C22 | H6 | 180.0° | 180.0° |
| C01 | O07 | C22 | H7 | 60.0° | 60.0° |
| C01 | O07 | C22 | H8 | 60.0° | 60.1° |
| O07 | C01 | C02 | H9 | 0.2° | 0.3° |
| C02 | C03 | C04 | H10 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | H11 | 179.7° | 180.0° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H9 | 179.8° | 180.0° |
| C03 | C04 | C05 | H12 | 179.7° | 180.0° |
| C04 | C05 | C06 | H12 | 180.0° | 179.9° |
| C04 | C05 | C06 | C08 | 179.8° | 180.0° |
| C05 | C04 | C03 | H10 | 179.7° | 180.0° |
| C05 | C06 | C08 | O09 | 142.4° | 180.0° |
| C06 | C05 | C04 | H11 | 179.7° | 180.0° |
| C06 | C08 | C10 | H1 | 29.1° | 36.1° |
| C08 | C06 | C05 | H12 | 0.1° | 0.0° |
| C06 | C08 | C10 | C11 | 149.0° | 158.7° |
| O09 | C08 | C10 | H1 | 152.1° | 143.9° |
| O09 | C08 | C10 | C11 | 32.1° | 21.2° |
| C14 | C11 | C10 | H1 | 103.3° | 95.1° |
| C11 | C14 | C13 | H3 | 79.0° | 142.3° |
| C11 | C14 | C13 | H4 | 158.8° | 95.1° |
| C14 | C11 | C15 | H5 | 55.7° | 57.1° |
| C14 | C11 | H13 | C10 | 112.9° | 117.2° |
| C11 | C14 | H17 | H18 | 122.9° | 121.4° |
| O20 | C16 | C15 | H5 | 26.0° | 119.9° |
| O20 | C16 | O21 | H20 | 0.0° | 0.0° |
| O21 | C16 | C15 | H5 | 152.7° | 60.0° |
| H1 | C10 | C11 | H13 | 139.4° | 145.6° |
| H1 | C10 | C12 | H15 | 114.0° | 160.8° |
| H1 | C10 | C12 | H16 | 7.1° | 37.5° |
| H3 | C13 | C12 | H15 | 24.7° | 38.3° |
| H3 | C13 | C12 | H16 | 145.9° | 85.0° |
| H3 | C13 | C14 | H17 | 40.0° | 23.1° |
| H3 | C13 | C14 | H18 | 161.9° | 98.3° |
| H4 | C13 | C12 | H15 | 97.4° | 161.0° |
| H4 | C13 | C12 | H16 | 23.8° | 37.7° |
| H4 | C13 | C14 | H17 | 82.2° | 145.7° |
| H4 | C13 | C14 | H18 | 39.8° | 24.2° |
| H5 | C15 | C11 | H13 | 179.1° | 178.6° |
| H5 | C15 | C11 | C10 | 63.6° | 60.0° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C02 | C03 | H10 | 0.2° | 0.0° |
| H10 | C03 | C04 | H11 | 0.3° | 0.1° |
| H11 | C04 | C05 | H12 | 0.3° | 0.1° |
| H13 | C11 | C14 | H17 | 41.4° | 0.0° |
| H13 | C11 | C14 | H18 | 163.5° | 121.4° |
| H15 | C12 | C10 | C11 | 123.3° | 80.4° |
| H16 | C12 | C10 | C11 | 115.6° | 156.3° |
| H17 | C14 | C11 | C10 | 155.3° | 119.3° |
| H18 | C14 | C11 | C10 | 82.7° | 119.3° |
