R8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C18 | sing | 1.43Å | 1.45Å | |
| O23 | C17 | sing | 1.43Å | 1.45Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.46Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | O20 | sing | 1.45Å | 1.46Å | |
| C17 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| O20 | C24 | sing | 1.35Å | 1.35Å | |
| C10 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C9 | C8 | doub | 1.35Å | 1.33Å | |
| O11 | C7 | doub | 1.22Å | 1.25Å | |
| C8 | C7 | sing | 1.46Å | 1.48Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N25 | H16 | sing | 0.97Å | 1.00Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| C7 | O1 | sing | 1.35Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O23 | C17 | 60.5° | 64.7° |
| O23 | C18 | C19 | 116.2° | 117.8° |
| O23 | C18 | C17 | 59.8° | 57.6° |
| O23 | C18 | H13 | 114.7° | 117.8° |
| O23 | C17 | C18 | 59.7° | 57.7° |
| O23 | C17 | C12 | 116.1° | 117.8° |
| O23 | C17 | H5 | 113.4° | 117.8° |
| C22 | C21 | C19 | 112.0° | 109.5° |
| C22 | C21 | H6 | 108.8° | 109.5° |
| C22 | C21 | H7 | 108.9° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| C19 | C18 | C17 | 127.1° | 117.8° |
| C18 | C19 | C21 | 116.6° | 109.5° |
| C18 | C19 | O20 | 111.3° | 109.4° |
| C19 | C18 | H13 | 113.4° | 115.7° |
| C18 | C19 | H14 | 106.2° | 109.5° |
| C18 | C17 | C12 | 130.5° | 117.7° |
| C18 | C17 | H5 | 113.2° | 117.7° |
| C17 | C18 | H13 | 114.4° | 117.8° |
| C21 | C19 | O20 | 108.9° | 109.5° |
| C19 | C21 | H6 | 108.8° | 109.5° |
| C19 | C21 | H7 | 108.8° | 109.5° |
| C21 | C19 | H14 | 106.3° | 109.5° |
| C19 | O20 | C24 | 118.8° | 117.0° |
| O20 | C19 | H14 | 107.0° | 109.5° |
| C17 | C12 | C13 | 120.9° | 120.1° |
| C17 | C12 | C10 | 119.0° | 120.1° |
| C12 | C17 | H5 | 112.4° | 115.8° |
| C12 | C13 | C14 | 120.7° | 120.2° |
| C13 | C12 | C10 | 119.4° | 119.8° |
| C12 | C13 | H3 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.4° |
| C14 | C13 | H3 | 119.7° | 119.9° |
| C13 | C14 | H11 | 119.9° | 119.8° |
| C12 | C10 | C16 | 118.9° | 119.6° |
| C12 | C10 | C9 | 121.0° | 120.2° |
| C14 | C15 | C16 | 120.1° | 120.1° |
| C14 | C15 | H4 | 119.9° | 119.9° |
| C15 | C14 | H11 | 120.0° | 119.8° |
| O20 | C24 | N25 | 111.2° | 120.0° |
| O20 | C24 | O26 | 123.0° | 120.0° |
| C16 | C10 | C9 | 120.0° | 120.2° |
| C10 | C16 | C15 | 120.7° | 119.9° |
| C10 | C16 | H12 | 119.7° | 120.1° |
| C10 | C9 | C8 | 127.4° | 120.0° |
| C10 | C9 | H15 | 116.3° | 120.0° |
| C16 | C15 | H4 | 119.9° | 119.9° |
| C15 | C16 | H12 | 119.7° | 120.0° |
| N25 | C24 | O26 | 125.8° | 120.0° |
| C24 | N25 | H16 | 120.0° | 119.9° |
| C24 | N25 | H17 | 120.0° | 120.0° |
| C9 | C8 | C7 | 121.8° | 120.0° |
| C9 | C8 | H2 | 119.1° | 120.0° |
| C8 | C9 | H15 | 116.3° | 120.0° |
| O11 | C7 | C8 | 123.4° | 120.0° |
| O11 | C7 | O1 | 121.8° | 120.0° |
| C7 | C8 | H2 | 119.1° | 120.0° |
| C8 | C7 | O1 | 114.7° | 120.0° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H16 | N25 | H17 | 120.0° | 120.0° |
| C7 | O1 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C18 | C19 | C17 | 70.7° | 66.0° |
| O23 | C18 | C19 | H13 | 136.1° | 147.1° |
| O23 | C18 | C17 | H13 | 105.4° | 106.9° |
| O23 | C18 | C19 | C21 | 38.2° | 109.0° |
| O23 | C18 | C19 | O20 | 164.0° | 11.0° |
| C18 | O23 | C17 | C12 | 123.5° | 106.8° |
| C18 | O23 | C17 | H5 | 104.1° | 106.8° |
| O23 | C18 | C19 | H14 | 80.0° | 130.9° |
| O23 | C17 | C12 | H5 | 132.8° | 147.0° |
| O23 | C17 | C12 | C13 | 5.3° | 27.6° |
| O23 | C17 | C12 | C10 | 165.3° | 152.4° |
| C22 | C21 | C19 | C18 | 112.1° | 175.0° |
| C22 | C21 | C19 | H6 | 120.4° | 120.0° |
| C22 | C21 | C19 | H7 | 120.4° | 120.0° |
| C22 | C21 | C19 | O20 | 121.0° | 65.0° |
| C22 | C21 | H6 | H7 | 118.9° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H10 | 120.0° | 120.0° |
| C21 | C22 | H9 | H10 | 120.0° | 120.1° |
| C22 | C21 | C19 | H14 | 6.1° | 55.0° |
| C19 | C18 | C17 | H13 | 153.0° | 146.3° |
| C18 | C19 | C21 | O20 | 126.9° | 120.0° |
| C18 | C19 | C21 | H14 | 118.1° | 120.0° |
| C18 | C19 | O20 | H14 | 115.6° | 120.0° |
| C19 | C18 | C17 | C12 | 1.7° | 0.0° |
| C18 | C19 | O20 | C24 | 105.5° | 150.0° |
| C19 | C18 | C17 | H5 | 154.0° | 146.3° |
| C18 | C19 | C21 | H6 | 127.6° | 65.0° |
| C18 | C19 | C21 | H7 | 8.3° | 55.0° |
| C17 | C18 | C19 | C21 | 32.5° | 175.0° |
| C17 | C18 | C19 | O20 | 93.3° | 55.0° |
| C18 | C17 | C12 | H5 | 155.8° | 146.9° |
| C18 | C17 | C12 | C13 | 66.1° | 93.7° |
| C18 | C17 | C12 | C10 | 123.3° | 86.4° |
| C17 | C18 | C19 | H14 | 150.7° | 65.0° |
| C21 | C19 | O20 | H14 | 114.5° | 120.1° |
| C21 | C19 | O20 | C24 | 24.5° | 90.0° |
| C19 | C21 | H6 | H7 | 118.8° | 120.0° |
| C19 | C21 | C22 | H8 | 180.0° | 60.0° |
| C19 | C21 | C22 | H9 | 60.0° | 60.0° |
| C19 | C21 | C22 | H10 | 60.0° | 180.0° |
| C21 | C19 | C18 | H13 | 174.3° | 38.1° |
| C19 | O20 | C24 | N25 | 57.8° | 180.0° |
| C19 | O20 | C24 | O26 | 120.3° | 0.0° |
| O20 | C19 | C21 | H6 | 0.6° | 55.0° |
| O20 | C19 | C21 | H7 | 118.6° | 175.0° |
| O20 | C19 | C18 | H13 | 60.0° | 158.1° |
| C17 | C12 | C13 | C10 | 170.6° | 180.0° |
| C17 | C12 | C13 | C14 | 170.1° | 180.0° |
| C17 | C12 | C10 | C16 | 170.4° | 180.0° |
| C17 | C12 | C10 | C9 | 8.7° | 0.3° |
| C17 | C12 | C13 | H3 | 9.9° | 0.0° |
| C12 | C17 | C18 | H13 | 154.7° | 146.3° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| C13 | C12 | C10 | C16 | 0.4° | 0.0° |
| C13 | C12 | C10 | C9 | 179.4° | 179.7° |
| C13 | C12 | C17 | H5 | 138.1° | 119.4° |
| C12 | C13 | C14 | H11 | 179.7° | 180.0° |
| C14 | C13 | C12 | C10 | 0.5° | 0.0° |
| C13 | C14 | C15 | H11 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.0° | 0.5° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C12 | C10 | C16 | C9 | 179.0° | 179.7° |
| C12 | C10 | C16 | C15 | 0.1° | 0.2° |
| C12 | C10 | C9 | C8 | 109.7° | 179.8° |
| C10 | C12 | C13 | H3 | 179.5° | 179.9° |
| C10 | C12 | C17 | H5 | 32.5° | 60.5° |
| C12 | C10 | C16 | H12 | 179.9° | 179.7° |
| C12 | C10 | C9 | H15 | 70.3° | 0.4° |
| C14 | C15 | C16 | C10 | 0.1° | 0.5° |
| C14 | C15 | C16 | H4 | 180.0° | 179.5° |
| C15 | C14 | C13 | H3 | 179.7° | 179.8° |
| C14 | C15 | C16 | H12 | 179.9° | 179.5° |
| O20 | C24 | N25 | O26 | 178.1° | 180.0° |
| C24 | O20 | C19 | H14 | 139.0° | 30.1° |
| O20 | C24 | N25 | H16 | 178.1° | 180.0° |
| O20 | C24 | N25 | H17 | 1.9° | 0.0° |
| C10 | C16 | C15 | H12 | 180.0° | 180.0° |
| C16 | C10 | C9 | C8 | 71.3° | 0.1° |
| C10 | C16 | C15 | H4 | 180.0° | 180.0° |
| C16 | C10 | C9 | H15 | 108.7° | 180.0° |
| C9 | C10 | C16 | C15 | 179.2° | 179.9° |
| C10 | C9 | C8 | H15 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 178.8° | 180.0° |
| C10 | C9 | C8 | H2 | 1.2° | 0.1° |
| C9 | C10 | C16 | H12 | 0.8° | 0.1° |
| C16 | C15 | C14 | H11 | 180.0° | 179.7° |
| C24 | N25 | H16 | H17 | 180.0° | 180.0° |
| O26 | C24 | N25 | H16 | 0.0° | 0.1° |
| O26 | C24 | N25 | H17 | 180.0° | 180.0° |
| C9 | C8 | C7 | O11 | 15.4° | 0.3° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | O1 | 165.1° | 179.9° |
| O11 | C7 | C8 | O1 | 179.6° | 179.7° |
| O11 | C7 | C8 | H2 | 164.7° | 179.7° |
| O11 | C7 | O1 | H1 | 0.0° | 0.3° |
| C7 | C8 | C9 | H15 | 1.2° | 0.1° |
| C8 | C7 | O1 | H1 | 179.6° | 180.0° |
| H2 | C8 | C9 | H15 | 178.8° | 179.9° |
| H2 | C8 | C7 | O1 | 14.9° | 0.0° |
| H3 | C13 | C14 | H11 | 0.3° | 0.1° |
| H4 | C15 | C14 | H11 | 0.0° | 0.2° |
| H4 | C15 | C16 | H12 | 0.0° | 0.0° |
| H5 | C17 | C18 | H13 | 1.0° | 0.0° |
| H6 | C21 | C22 | H8 | 59.6° | 60.0° |
| H6 | C21 | C22 | H9 | 60.4° | 180.0° |
| H6 | C21 | C22 | H10 | 179.7° | 60.0° |
| H6 | C21 | C19 | H14 | 114.3° | 175.0° |
| H7 | C21 | C22 | H8 | 59.6° | 180.0° |
| H7 | C21 | C22 | H9 | 179.6° | 60.0° |
| H7 | C21 | C22 | H10 | 60.4° | 60.0° |
| H7 | C21 | C19 | H14 | 126.5° | 65.0° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H13 | C18 | C19 | H14 | 56.1° | 82.0° |
