RLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C13 | sing | 1.43Å | 1.44Å | |
| O1 | C12 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | C21 | doub | 1.42Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.36Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | N | sing | 1.40Å | 1.40Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| C15 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| N2 | C18 | sing | 1.48Å | 1.47Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | O | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.55Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C4 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O1 | C12 | 118.9° | 117.0° |
| O1 | C13 | C14 | 108.2° | 109.5° |
| O1 | C13 | H4 | 109.8° | 109.5° |
| O1 | C13 | H5 | 109.8° | 109.5° |
| O1 | C12 | C11 | 126.2° | 119.5° |
| O1 | C12 | C19 | 112.6° | 119.6° |
| C13 | C14 | N2 | 112.2° | 109.5° |
| C14 | C13 | H4 | 109.8° | 109.5° |
| C14 | C13 | H5 | 109.8° | 109.4° |
| C13 | C14 | H19 | 108.8° | 109.5° |
| C13 | C14 | H20 | 108.8° | 109.5° |
| C12 | C11 | C10 | 119.9° | 119.5° |
| C11 | C12 | C19 | 121.0° | 120.9° |
| C12 | C11 | H18 | 120.1° | 120.3° |
| C11 | C10 | C9 | 123.2° | 122.0° |
| C11 | C10 | C21 | 119.3° | 119.3° |
| C10 | C11 | H18 | 120.1° | 120.2° |
| N1 | C9 | C10 | 124.3° | 120.2° |
| C9 | N1 | C8 | 117.5° | 122.9° |
| N1 | C9 | H16 | 117.8° | 119.9° |
| C9 | C10 | C21 | 117.4° | 118.7° |
| C10 | C9 | H16 | 117.8° | 119.9° |
| C12 | C19 | C20 | 120.4° | 121.0° |
| C12 | C19 | H17 | 119.8° | 119.6° |
| N1 | C8 | C7 | 124.8° | 121.6° |
| N1 | C8 | H3 | 117.6° | 119.2° |
| C10 | C21 | C20 | 118.2° | 119.7° |
| C10 | C21 | C7 | 118.1° | 118.2° |
| C19 | C20 | C21 | 121.1° | 119.5° |
| C19 | C20 | H10 | 119.4° | 120.2° |
| C20 | C19 | H17 | 119.8° | 119.5° |
| C8 | C7 | C21 | 117.8° | 118.5° |
| C8 | C7 | N | 123.8° | 120.8° |
| C7 | C8 | H3 | 117.6° | 119.2° |
| C14 | N2 | C15 | 116.6° | 111.0° |
| C14 | N2 | C18 | 117.1° | 111.0° |
| N2 | C14 | H19 | 108.8° | 109.5° |
| N2 | C14 | H20 | 108.8° | 109.4° |
| C20 | C21 | C7 | 123.7° | 122.1° |
| C21 | C20 | H10 | 119.4° | 120.2° |
| C21 | C7 | N | 118.3° | 120.7° |
| C7 | N | C6 | 127.5° | 120.0° |
| C7 | N | H15 | 116.3° | 120.0° |
| N | C6 | C5 | 115.0° | 120.0° |
| N | C6 | O | 123.3° | 120.0° |
| C6 | N | H15 | 116.3° | 120.0° |
| N2 | C15 | C16 | 103.8° | 107.2° |
| C15 | N2 | C18 | 104.0° | 108.6° |
| N2 | C15 | H6 | 110.9° | 109.9° |
| N2 | C15 | H7 | 110.9° | 109.9° |
| C15 | C16 | C17 | 105.1° | 103.0° |
| C16 | C15 | H6 | 110.9° | 109.9° |
| C16 | C15 | H7 | 110.8° | 109.9° |
| C15 | C16 | H24 | 110.6° | 110.7° |
| C15 | C16 | H25 | 110.6° | 110.7° |
| N2 | C18 | C17 | 103.7° | 104.8° |
| N2 | C18 | H22 | 110.9° | 110.4° |
| N2 | C18 | H23 | 110.9° | 110.4° |
| C5 | C6 | O | 121.8° | 120.0° |
| C6 | C5 | C4 | 110.7° | 109.5° |
| C6 | C5 | H1 | 109.2° | 109.5° |
| C6 | C5 | H2 | 109.2° | 109.5° |
| C5 | C4 | C22 | 120.1° | 120.0° |
| C5 | C4 | C3 | 121.0° | 120.0° |
| C4 | C5 | H1 | 109.2° | 109.4° |
| C4 | C5 | H2 | 109.2° | 109.4° |
| C18 | C17 | C16 | 104.7° | 101.6° |
| C18 | C17 | H8 | 110.6° | 110.9° |
| C18 | C17 | H9 | 110.7° | 111.0° |
| C17 | C18 | H22 | 110.9° | 110.3° |
| C17 | C18 | H23 | 110.9° | 110.4° |
| C16 | C17 | H8 | 110.7° | 111.1° |
| C16 | C17 | H9 | 110.7° | 111.1° |
| C17 | C16 | H24 | 110.5° | 110.7° |
| C17 | C16 | H25 | 110.5° | 110.7° |
| C22 | C4 | C3 | 118.8° | 120.0° |
| C4 | C22 | C | 119.6° | 120.0° |
| C4 | C22 | H11 | 120.2° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C4 | C3 | H12 | 119.6° | 120.0° |
| C22 | C | CL | 118.9° | 120.0° |
| C22 | C | C1 | 121.9° | 120.0° |
| C | C22 | H11 | 120.2° | 120.0° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C2 | C3 | H12 | 119.5° | 120.0° |
| C3 | C2 | H13 | 119.9° | 120.0° |
| CL | C | C1 | 119.2° | 120.0° |
| C | C1 | C2 | 118.6° | 120.0° |
| C | C1 | H14 | 120.7° | 120.0° |
| C1 | C2 | H13 | 119.9° | 120.0° |
| C2 | C1 | H14 | 120.7° | 120.0° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 110.0° |
| H8 | C17 | H9 | 109.5° | 110.8° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 110.4° |
| H24 | C16 | H25 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C13 | C14 | H4 | 119.8° | 120.0° |
| O1 | C13 | C14 | H5 | 119.8° | 120.0° |
| C13 | O1 | C12 | C11 | 19.8° | 179.8° |
| C13 | O1 | C12 | C19 | 164.8° | 0.0° |
| O1 | C13 | C14 | N2 | 49.9° | 65.0° |
| O1 | C13 | H4 | H5 | 120.6° | 120.0° |
| O1 | C13 | C14 | H19 | 170.2° | 175.0° |
| O1 | C13 | C14 | H20 | 70.5° | 54.9° |
| C12 | O1 | C13 | C14 | 145.7° | 180.0° |
| O1 | C12 | C11 | C19 | 175.0° | 179.8° |
| O1 | C12 | C11 | C10 | 173.1° | 180.0° |
| O1 | C12 | C19 | C20 | 174.4° | 180.0° |
| C12 | O1 | C13 | H4 | 25.9° | 59.9° |
| C12 | O1 | C13 | H5 | 94.5° | 60.0° |
| O1 | C12 | C19 | H17 | 5.6° | 0.2° |
| O1 | C12 | C11 | H18 | 6.9° | 0.1° |
| C13 | C14 | N2 | H19 | 120.4° | 120.0° |
| C13 | C14 | N2 | H20 | 120.4° | 120.0° |
| C13 | C14 | N2 | C15 | 106.6° | 170.0° |
| C13 | C14 | N2 | C18 | 129.4° | 69.2° |
| C14 | C13 | H4 | H5 | 120.6° | 120.0° |
| C13 | C14 | H19 | H20 | 118.8° | 120.1° |
| C12 | C11 | C10 | H18 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 176.2° | 180.0° |
| C12 | C11 | C10 | C21 | 1.5° | 0.1° |
| C11 | C12 | C19 | C20 | 1.2° | 0.2° |
| C11 | C12 | C19 | H17 | 178.8° | 180.0° |
| C11 | C10 | C9 | N1 | 177.8° | 180.0° |
| C11 | C10 | C9 | C21 | 177.7° | 179.9° |
| C10 | C11 | C12 | C19 | 2.0° | 0.2° |
| C11 | C10 | C21 | C20 | 0.3° | 0.0° |
| C11 | C10 | C21 | C7 | 178.9° | 180.0° |
| C11 | C10 | C9 | H16 | 2.3° | 0.0° |
| N1 | C9 | C10 | H16 | 180.0° | 180.0° |
| N1 | C9 | C10 | C21 | 0.1° | 0.1° |
| C9 | N1 | C8 | C7 | 0.2° | 0.0° |
| C9 | N1 | C8 | H3 | 179.8° | 180.0° |
| C10 | C9 | N1 | C8 | 0.4° | 0.0° |
| C9 | C10 | C21 | C20 | 177.5° | 180.0° |
| C9 | C10 | C21 | C7 | 1.1° | 0.1° |
| C9 | C10 | C11 | H18 | 3.8° | 0.1° |
| C12 | C19 | C20 | H17 | 180.0° | 179.8° |
| C12 | C19 | C20 | C21 | 0.0° | 0.2° |
| C12 | C19 | C20 | H10 | 180.0° | 179.8° |
| C19 | C12 | C11 | H18 | 178.1° | 179.9° |
| N1 | C8 | C7 | H3 | 180.0° | 180.0° |
| N1 | C8 | C7 | C21 | 1.2° | 0.0° |
| N1 | C8 | C7 | N | 173.2° | 180.0° |
| C8 | N1 | C9 | H16 | 179.5° | 180.0° |
| C10 | C21 | C20 | C19 | 0.5° | 0.1° |
| C10 | C21 | C7 | C8 | 1.6° | 0.0° |
| C10 | C21 | C20 | C7 | 178.6° | 180.0° |
| C10 | C21 | C7 | N | 173.1° | 179.9° |
| C10 | C21 | C20 | H10 | 179.5° | 179.9° |
| C21 | C10 | C9 | H16 | 180.0° | 180.0° |
| C21 | C10 | C11 | H18 | 178.5° | 180.0° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | C7 | 178.1° | 180.0° |
| C8 | C7 | C21 | C20 | 176.9° | 180.0° |
| C8 | C7 | C21 | N | 174.7° | 179.9° |
| C8 | C7 | N | C6 | 94.7° | 34.6° |
| C8 | C7 | N | H15 | 85.4° | 145.4° |
| C14 | N2 | C15 | C18 | 130.5° | 122.2° |
| C14 | N2 | C15 | C16 | 171.4° | 123.2° |
| C14 | N2 | C18 | C17 | 173.0° | 146.3° |
| N2 | C14 | C13 | H4 | 69.9° | 55.1° |
| N2 | C14 | C13 | H5 | 169.7° | 175.0° |
| C14 | N2 | C15 | H6 | 52.3° | 3.8° |
| C14 | N2 | C15 | H7 | 69.5° | 117.4° |
| N2 | C14 | H19 | H20 | 118.8° | 119.9° |
| C14 | N2 | C18 | H22 | 67.9° | 27.5° |
| C14 | N2 | C18 | H23 | 53.9° | 94.8° |
| C20 | C21 | C7 | N | 8.3° | 0.1° |
| C21 | C20 | C19 | H17 | 180.0° | 180.0° |
| C21 | C7 | N | C6 | 79.7° | 145.4° |
| C21 | C7 | C8 | H3 | 178.8° | 180.0° |
| C7 | C21 | C20 | H10 | 1.9° | 0.1° |
| C21 | C7 | N | H15 | 100.3° | 34.5° |
| C7 | N | C6 | H15 | 180.0° | 179.9° |
| C7 | N | C6 | C5 | 179.1° | 175.5° |
| C7 | N | C6 | O | 0.6° | 4.4° |
| N | C7 | C8 | H3 | 6.8° | 0.1° |
| N | C6 | C5 | O | 179.8° | 180.0° |
| N | C6 | C5 | C4 | 160.8° | 180.0° |
| N | C6 | C5 | H1 | 79.0° | 60.0° |
| N | C6 | C5 | H2 | 40.6° | 60.0° |
| N2 | C15 | C16 | H6 | 119.1° | 119.4° |
| N2 | C15 | C16 | H7 | 119.1° | 119.4° |
| C15 | N2 | C18 | C17 | 42.8° | 24.1° |
| N2 | C15 | C16 | C17 | 23.0° | 22.3° |
| N2 | C15 | H6 | H7 | 122.6° | 121.1° |
| C15 | N2 | C14 | H19 | 133.0° | 70.0° |
| C15 | N2 | C14 | H20 | 13.8° | 50.0° |
| C15 | N2 | C18 | H22 | 161.8° | 94.7° |
| C15 | N2 | C18 | H23 | 76.3° | 143.0° |
| N2 | C15 | C16 | H24 | 142.3° | 96.1° |
| N2 | C15 | C16 | H25 | 96.3° | 140.6° |
| C16 | C15 | N2 | C18 | 41.0° | 1.0° |
| C15 | C16 | C17 | C18 | 2.6° | 35.7° |
| C15 | C16 | C17 | H24 | 119.3° | 118.4° |
| C15 | C16 | C17 | H25 | 119.3° | 118.4° |
| C16 | C15 | H6 | H7 | 122.6° | 121.2° |
| C15 | C16 | C17 | H8 | 116.6° | 82.4° |
| C15 | C16 | C17 | H9 | 121.8° | 153.8° |
| C15 | C16 | H24 | H25 | 122.0° | 123.2° |
| N2 | C18 | C17 | H22 | 119.1° | 118.9° |
| N2 | C18 | C17 | H23 | 119.1° | 118.9° |
| N2 | C18 | C17 | C16 | 27.3° | 37.1° |
| C18 | N2 | C15 | H6 | 78.2° | 118.4° |
| C18 | N2 | C15 | H7 | 160.0° | 120.4° |
| N2 | C18 | C17 | H8 | 91.9° | 81.1° |
| N2 | C18 | C17 | H9 | 146.6° | 155.2° |
| C18 | N2 | C14 | H19 | 9.0° | 50.8° |
| C18 | N2 | C14 | H20 | 110.2° | 170.8° |
| N2 | C18 | H22 | H23 | 122.7° | 122.3° |
| C6 | C5 | C4 | H1 | 120.2° | 120.0° |
| C6 | C5 | C4 | H2 | 120.2° | 120.0° |
| C6 | C5 | C4 | C22 | 97.5° | 90.0° |
| C6 | C5 | C4 | C3 | 78.6° | 90.2° |
| C6 | C5 | H1 | H2 | 119.4° | 120.0° |
| C5 | C6 | N | H15 | 0.9° | 4.4° |
| O | C6 | C5 | C4 | 19.0° | 0.0° |
| O | C6 | C5 | H1 | 101.2° | 120.0° |
| O | C6 | C5 | H2 | 139.2° | 120.0° |
| O | C6 | N | H15 | 179.4° | 175.6° |
| C5 | C4 | C22 | C3 | 176.2° | 179.8° |
| C5 | C4 | C22 | C | 174.3° | 179.7° |
| C5 | C4 | C3 | C2 | 175.0° | 179.7° |
| C4 | C5 | H1 | H2 | 119.4° | 119.9° |
| C5 | C4 | C22 | H11 | 5.6° | 0.2° |
| C5 | C4 | C3 | H12 | 5.0° | 0.3° |
| C18 | C17 | C16 | H8 | 119.2° | 118.0° |
| C18 | C17 | C16 | H9 | 119.3° | 118.1° |
| C18 | C17 | H8 | H9 | 122.2° | 123.8° |
| C17 | C18 | H22 | H23 | 122.7° | 122.3° |
| C18 | C17 | C16 | H24 | 116.7° | 82.8° |
| C18 | C17 | C16 | H25 | 121.9° | 154.0° |
| C17 | C16 | C15 | H6 | 96.1° | 141.7° |
| C17 | C16 | C15 | H7 | 142.1° | 97.1° |
| C16 | C17 | H8 | H9 | 122.2° | 124.0° |
| C16 | C17 | C18 | H22 | 146.4° | 81.8° |
| C16 | C17 | C18 | H23 | 91.7° | 155.9° |
| C17 | C16 | H24 | H25 | 122.0° | 123.1° |
| C4 | C22 | C | H11 | 180.0° | 179.9° |
| C22 | C4 | C3 | C2 | 1.1° | 0.1° |
| C4 | C22 | C | CL | 176.0° | 180.0° |
| C4 | C22 | C | C1 | 1.5° | 0.0° |
| C22 | C4 | C5 | H1 | 142.3° | 150.0° |
| C22 | C4 | C5 | H2 | 22.7° | 30.1° |
| C22 | C4 | C3 | H12 | 178.9° | 180.0° |
| C3 | C4 | C22 | C | 1.8° | 0.0° |
| C4 | C3 | C2 | H12 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H1 | 41.6° | 29.8° |
| C3 | C4 | C5 | H2 | 161.2° | 149.7° |
| C3 | C4 | C22 | H11 | 178.2° | 180.0° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C22 | C | CL | C1 | 177.6° | 180.0° |
| C22 | C | C1 | C2 | 0.4° | 0.1° |
| C22 | C | C1 | H14 | 179.6° | 180.0° |
| C3 | C2 | C1 | C | 0.4° | 0.0° |
| C3 | C2 | C1 | H13 | 180.0° | 180.0° |
| C3 | C2 | C1 | H14 | 179.6° | 180.0° |
| CL | C | C1 | C2 | 177.2° | 180.0° |
| CL | C | C22 | H11 | 3.9° | 0.1° |
| CL | C | C1 | H14 | 2.9° | 0.0° |
| C | C1 | C2 | H14 | 180.0° | 179.9° |
| C1 | C | C22 | H11 | 178.5° | 179.9° |
| C | C1 | C2 | H13 | 179.6° | 180.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| H4 | C13 | C14 | H19 | 50.5° | 65.0° |
| H4 | C13 | C14 | H20 | 169.7° | 175.0° |
| H5 | C13 | C14 | H19 | 69.9° | 55.0° |
| H5 | C13 | C14 | H20 | 49.3° | 65.1° |
| H6 | C15 | C16 | H24 | 23.2° | 23.3° |
| H6 | C15 | C16 | H25 | 144.5° | 99.9° |
| H7 | C15 | C16 | H24 | 98.6° | 144.5° |
| H7 | C15 | C16 | H25 | 22.8° | 21.3° |
| H8 | C17 | C18 | H22 | 27.2° | 160.1° |
| H8 | C17 | C18 | H23 | 149.0° | 37.8° |
| H8 | C17 | C16 | H24 | 124.1° | 159.2° |
| H8 | C17 | C16 | H25 | 2.7° | 36.0° |
| H9 | C17 | C18 | H22 | 94.3° | 36.4° |
| H9 | C17 | C18 | H23 | 27.5° | 85.9° |
| H9 | C17 | C16 | H24 | 2.5° | 35.3° |
| H9 | C17 | C16 | H25 | 118.8° | 87.8° |
| H10 | C20 | C19 | H17 | 0.0° | 0.0° |
| H12 | C3 | C2 | H13 | 0.0° | 0.0° |
| H13 | C2 | C1 | H14 | 0.3° | 0.0° |
