RLO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N24 | doub | 1.31Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.45Å | Aromatic |
| N24 | C15 | sing | 1.34Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.37Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.46Å | Aromatic |
| C15 | C14 | doub | 1.42Å | 1.49Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.45Å | Aromatic |
| C19 | C14 | sing | 1.41Å | 1.44Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.46Å | Aromatic |
| C06 | O12 | sing | 1.43Å | 1.46Å | |
| C06 | C05 | sing | 1.53Å | 1.60Å | |
| C17 | C18 | sing | 1.41Å | 1.44Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.44Å | Aromatic |
| C18 | C22 | sing | 1.48Å | 1.60Å | |
| O10 | C04 | sing | 1.43Å | 1.47Å | |
| C22 | C23 | doub | 1.33Å | 1.60Å | |
| C05 | C04 | sing | 1.53Å | 1.60Å | |
| C05 | O11 | sing | 1.43Å | 1.47Å | |
| C04 | C03 | sing | 1.53Å | 1.59Å | |
| O11 | C01 | sing | 1.43Å | 1.47Å | |
| C23 | C07 | sing | 1.51Å | 1.60Å | |
| C07 | C01 | sing | 1.53Å | 1.61Å | |
| C01 | C02 | sing | 1.53Å | 1.61Å | |
| C03 | O09 | sing | 1.43Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.60Å | |
| C02 | O08 | sing | 1.43Å | 1.47Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| O08 | H16 | sing | 0.97Å | 0.95Å | |
| O09 | H17 | sing | 0.97Å | 0.95Å | |
| O10 | H18 | sing | 0.97Å | 0.95Å | |
| O12 | H19 | sing | 0.97Å | 0.95Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C21 | C20 | 119.6° | 121.8° |
| C21 | N24 | C15 | 120.3° | 121.3° |
| N24 | C21 | H4 | 120.2° | 119.1° |
| C21 | C20 | C19 | 121.7° | 119.9° |
| C21 | C20 | H3 | 119.1° | 120.0° |
| C20 | C21 | H4 | 120.2° | 119.1° |
| N24 | C15 | C16 | 120.7° | 120.8° |
| N24 | C15 | C14 | 121.1° | 119.8° |
| C20 | C19 | C14 | 119.4° | 118.2° |
| C19 | C20 | H3 | 119.2° | 120.1° |
| C20 | C19 | H21 | 120.3° | 120.9° |
| C16 | C15 | C14 | 118.2° | 119.4° |
| C15 | C16 | C17 | 117.4° | 120.1° |
| C15 | C16 | H20 | 121.3° | 119.9° |
| C15 | C14 | C19 | 117.9° | 119.0° |
| C15 | C14 | C13 | 123.1° | 119.8° |
| C16 | C17 | C18 | 124.1° | 120.9° |
| C16 | C17 | H2 | 118.0° | 119.5° |
| C17 | C16 | H20 | 121.3° | 120.0° |
| C19 | C14 | C13 | 119.0° | 121.2° |
| C14 | C19 | H21 | 120.3° | 121.0° |
| C14 | C13 | C18 | 117.4° | 119.4° |
| C14 | C13 | H1 | 121.3° | 120.3° |
| O12 | C06 | C05 | 110.4° | 109.5° |
| O12 | C06 | H12 | 109.2° | 109.5° |
| O12 | C06 | H13 | 109.2° | 109.5° |
| C06 | O12 | H19 | 109.5° | 113.9° |
| C06 | C05 | C04 | 107.8° | 109.5° |
| C06 | C05 | O11 | 110.8° | 109.5° |
| C06 | C05 | H11 | 108.4° | 109.5° |
| C05 | C06 | H12 | 109.2° | 109.4° |
| C05 | C06 | H13 | 109.3° | 109.4° |
| C17 | C18 | C13 | 119.9° | 120.4° |
| C17 | C18 | C22 | 121.1° | 119.8° |
| C18 | C17 | H2 | 118.0° | 119.6° |
| C13 | C18 | C22 | 119.1° | 119.8° |
| C18 | C13 | H1 | 121.3° | 120.3° |
| C18 | C22 | C23 | 145.5° | 120.0° |
| C18 | C22 | H5 | 107.3° | 120.0° |
| O10 | C04 | C05 | 107.8° | 109.6° |
| O10 | C04 | C03 | 108.1° | 109.5° |
| O10 | C04 | H10 | 112.2° | 109.5° |
| C04 | O10 | H18 | 109.5° | 114.0° |
| C22 | C23 | C07 | 139.8° | 120.0° |
| C23 | C22 | H5 | 107.3° | 120.0° |
| C22 | C23 | H6 | 110.1° | 120.0° |
| C04 | C05 | O11 | 111.2° | 109.4° |
| C05 | C04 | C03 | 108.0° | 109.1° |
| C05 | C04 | H10 | 110.3° | 109.5° |
| C04 | C05 | H11 | 108.4° | 109.5° |
| C05 | O11 | C01 | 112.3° | 114.0° |
| O11 | C05 | H11 | 110.0° | 109.5° |
| C04 | C03 | O09 | 108.1° | 109.5° |
| C04 | C03 | C02 | 108.0° | 109.0° |
| C04 | C03 | H9 | 109.8° | 109.7° |
| C03 | C04 | H10 | 110.4° | 109.6° |
| O11 | C01 | C07 | 113.9° | 109.5° |
| O11 | C01 | C02 | 110.0° | 109.4° |
| O11 | C01 | H7 | 109.1° | 109.4° |
| C23 | C07 | C01 | 111.0° | 109.5° |
| C23 | C07 | H14 | 109.1° | 109.5° |
| C23 | C07 | H15 | 109.1° | 109.5° |
| C07 | C23 | H6 | 110.1° | 120.0° |
| C07 | C01 | C02 | 108.5° | 109.5° |
| C07 | C01 | H7 | 107.6° | 109.5° |
| C01 | C07 | H14 | 109.1° | 109.4° |
| C01 | C07 | H15 | 109.1° | 109.4° |
| C01 | C02 | C03 | 111.1° | 109.1° |
| C01 | C02 | O08 | 108.7° | 109.6° |
| C02 | C01 | H7 | 107.5° | 109.5° |
| C01 | C02 | H8 | 109.3° | 109.5° |
| O09 | C03 | C02 | 109.4° | 109.5° |
| O09 | C03 | H9 | 111.6° | 109.5° |
| C03 | O09 | H17 | 109.5° | 114.0° |
| C03 | C02 | O08 | 107.1° | 109.5° |
| C03 | C02 | H8 | 109.4° | 109.6° |
| C02 | C03 | H9 | 109.7° | 109.6° |
| O08 | C02 | H8 | 111.3° | 109.5° |
| C02 | O08 | H16 | 109.5° | 114.1° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C21 | C20 | H4 | 180.0° | 179.4° |
| N24 | C21 | C20 | C19 | 0.0° | 0.3° |
| C21 | N24 | C15 | C16 | 179.9° | 179.7° |
| C21 | N24 | C15 | C14 | 0.0° | 0.7° |
| N24 | C21 | C20 | H3 | 180.0° | 179.6° |
| C20 | C21 | N24 | C15 | 0.0° | 0.7° |
| C21 | C20 | C19 | H3 | 180.0° | 179.9° |
| C21 | C20 | C19 | C14 | 0.1° | 0.0° |
| C21 | C20 | C19 | H21 | 179.9° | 179.9° |
| N24 | C15 | C16 | C14 | 179.9° | 179.6° |
| N24 | C15 | C16 | C17 | 179.8° | 179.9° |
| N24 | C15 | C14 | C19 | 0.1° | 0.4° |
| N24 | C15 | C14 | C13 | 180.0° | 179.7° |
| C15 | N24 | C21 | H4 | 180.0° | 179.9° |
| N24 | C15 | C16 | H20 | 0.2° | 0.4° |
| C20 | C19 | C14 | C15 | 0.1° | 0.0° |
| C20 | C19 | C14 | H21 | 180.0° | 179.9° |
| C20 | C19 | C14 | C13 | 179.9° | 180.0° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C15 | C16 | C17 | H20 | 180.0° | 179.7° |
| C16 | C15 | C14 | C19 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.6° |
| C15 | C16 | C17 | H2 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C15 | C14 | C19 | C13 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.2° | 0.0° |
| C15 | C14 | C13 | H1 | 179.8° | 179.7° |
| C14 | C15 | C16 | H20 | 180.0° | 180.0° |
| C15 | C14 | C19 | H21 | 179.9° | 180.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.5° |
| C16 | C17 | C18 | C13 | 0.0° | 0.5° |
| C16 | C17 | C18 | C22 | 179.9° | 179.4° |
| C19 | C14 | C13 | C18 | 179.9° | 179.9° |
| C19 | C14 | C13 | H1 | 0.1° | 0.3° |
| C14 | C19 | C20 | H3 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.1° | 0.2° |
| C14 | C13 | C18 | H1 | 180.0° | 179.7° |
| C14 | C13 | C18 | C22 | 180.0° | 179.7° |
| C13 | C14 | C19 | H21 | 0.1° | 0.1° |
| O12 | C06 | C05 | H12 | 120.1° | 120.0° |
| O12 | C06 | C05 | H13 | 120.1° | 120.0° |
| O12 | C06 | C05 | C04 | 68.4° | 175.0° |
| O12 | C06 | C05 | O11 | 53.5° | 65.1° |
| O12 | C06 | C05 | H11 | 174.4° | 54.9° |
| O12 | C06 | H12 | H13 | 119.5° | 120.1° |
| C06 | C05 | C04 | O10 | 60.9° | 62.5° |
| C06 | C05 | C04 | O11 | 121.7° | 120.0° |
| C06 | C05 | C04 | H11 | 117.2° | 120.0° |
| C06 | C05 | O11 | H11 | 119.9° | 120.0° |
| C06 | C05 | C04 | C03 | 177.5° | 177.6° |
| C06 | C05 | O11 | C01 | 176.8° | 178.9° |
| C06 | C05 | C04 | H10 | 61.8° | 57.7° |
| C05 | C06 | H12 | H13 | 119.6° | 119.9° |
| C05 | C06 | O12 | H19 | 180.0° | 180.0° |
| C17 | C18 | C13 | C22 | 179.9° | 179.9° |
| C17 | C18 | C22 | C23 | 171.7° | 0.1° |
| C17 | C18 | C13 | H1 | 179.9° | 179.9° |
| C18 | C17 | C16 | H20 | 179.9° | 179.7° |
| C17 | C18 | C22 | H5 | 8.2° | 179.9° |
| C13 | C18 | C22 | C23 | 8.4° | 180.0° |
| C13 | C18 | C17 | H2 | 180.0° | 180.0° |
| C13 | C18 | C22 | H5 | 171.6° | 0.0° |
| C18 | C22 | C23 | H5 | 180.0° | 180.0° |
| C18 | C22 | C23 | C07 | 152.9° | 180.0° |
| C22 | C18 | C13 | H1 | 0.0° | 0.0° |
| C22 | C18 | C17 | H2 | 0.1° | 0.1° |
| C18 | C22 | C23 | H6 | 27.1° | 0.0° |
| O10 | C04 | C05 | C03 | 116.5° | 119.9° |
| O10 | C04 | C05 | H10 | 122.7° | 120.2° |
| O10 | C04 | C05 | O11 | 177.4° | 177.6° |
| O10 | C04 | C03 | H10 | 123.0° | 120.2° |
| O10 | C04 | C03 | O09 | 69.2° | 63.2° |
| O10 | C04 | C03 | C02 | 172.5° | 177.0° |
| O10 | C04 | C03 | H9 | 52.8° | 57.0° |
| O10 | C04 | C05 | H11 | 56.3° | 57.5° |
| C22 | C23 | C07 | H6 | 180.0° | 180.0° |
| C22 | C23 | C07 | C01 | 155.9° | 125.0° |
| C22 | C23 | C07 | H14 | 35.7° | 5.1° |
| C22 | C23 | C07 | H15 | 83.9° | 115.0° |
| C04 | C05 | O11 | H11 | 120.2° | 120.1° |
| C05 | C04 | C03 | H10 | 120.7° | 119.9° |
| C04 | C05 | O11 | C01 | 63.3° | 61.2° |
| C05 | C04 | C03 | O09 | 174.4° | 176.8° |
| C05 | C04 | C03 | C02 | 56.1° | 57.0° |
| C05 | C04 | C03 | H9 | 63.5° | 62.9° |
| C04 | C05 | C06 | H12 | 51.7° | 55.0° |
| C04 | C05 | C06 | H13 | 171.5° | 65.0° |
| C05 | C04 | O10 | H18 | 180.0° | 60.3° |
| O11 | C05 | C04 | C03 | 60.8° | 57.7° |
| C05 | O11 | C01 | C07 | 62.7° | 58.8° |
| C05 | O11 | C01 | C02 | 59.3° | 61.2° |
| C05 | O11 | C01 | H7 | 177.1° | 178.8° |
| O11 | C05 | C04 | H10 | 59.9° | 62.3° |
| O11 | C05 | C06 | H12 | 173.7° | 174.9° |
| O11 | C05 | C06 | H13 | 66.6° | 55.0° |
| C04 | C03 | C02 | C01 | 55.0° | 57.0° |
| C04 | C03 | O09 | C02 | 117.4° | 119.5° |
| C04 | C03 | O09 | H9 | 120.9° | 120.3° |
| C04 | C03 | C02 | H9 | 119.7° | 120.0° |
| C04 | C03 | C02 | O08 | 63.6° | 62.9° |
| C04 | C03 | C02 | H8 | 175.7° | 176.9° |
| C03 | C04 | C05 | H11 | 60.3° | 62.4° |
| C04 | C03 | O09 | H17 | 180.0° | 60.4° |
| C03 | C04 | O10 | H18 | 63.5° | 179.9° |
| O11 | C01 | C07 | C23 | 36.7° | 65.0° |
| O11 | C01 | C07 | C02 | 122.8° | 120.0° |
| O11 | C01 | C07 | H7 | 121.1° | 120.0° |
| O11 | C01 | C02 | H7 | 118.7° | 119.9° |
| O11 | C01 | C02 | C03 | 55.7° | 57.7° |
| O11 | C01 | C02 | O08 | 61.8° | 62.2° |
| O11 | C01 | C02 | H8 | 176.6° | 177.6° |
| C01 | O11 | C05 | H11 | 56.9° | 58.9° |
| O11 | C01 | C07 | H14 | 83.5° | 175.0° |
| O11 | C01 | C07 | H15 | 156.9° | 55.0° |
| C23 | C07 | C01 | H14 | 120.2° | 120.0° |
| C23 | C07 | C01 | H15 | 120.2° | 120.0° |
| C23 | C07 | C01 | C02 | 159.5° | 175.0° |
| C23 | C07 | C01 | H7 | 84.4° | 55.0° |
| C23 | C07 | H14 | H15 | 119.3° | 120.1° |
| C07 | C23 | C22 | H5 | 27.1° | 0.0° |
| C07 | C01 | C02 | H7 | 116.1° | 120.0° |
| C07 | C01 | C02 | C03 | 69.5° | 62.4° |
| C07 | C01 | C02 | O08 | 173.0° | 177.7° |
| C07 | C01 | C02 | H8 | 51.4° | 57.5° |
| C01 | C07 | H14 | H15 | 119.3° | 119.9° |
| C01 | C07 | C23 | H6 | 24.1° | 55.0° |
| C01 | C02 | C03 | O09 | 172.4° | 176.8° |
| C01 | C02 | C03 | O08 | 118.5° | 119.9° |
| C01 | C02 | C03 | H8 | 120.8° | 119.9° |
| C01 | C02 | O08 | H8 | 120.4° | 120.2° |
| C01 | C02 | C03 | H9 | 64.8° | 63.0° |
| C02 | C01 | C07 | H14 | 39.3° | 55.0° |
| C02 | C01 | C07 | H15 | 80.3° | 65.0° |
| C01 | C02 | O08 | H16 | 180.0° | 180.0° |
| O09 | C03 | C02 | H9 | 122.8° | 120.2° |
| O09 | C03 | C02 | O08 | 53.9° | 56.9° |
| O09 | C03 | C02 | H8 | 66.8° | 63.2° |
| O09 | C03 | C04 | H10 | 53.7° | 56.9° |
| C03 | C02 | O08 | H8 | 119.5° | 120.2° |
| C03 | C02 | C01 | H7 | 174.5° | 177.6° |
| C02 | C03 | C04 | H10 | 64.6° | 62.9° |
| C03 | C02 | O08 | H16 | 59.9° | 60.3° |
| C02 | C03 | O09 | H17 | 62.6° | 179.9° |
| O08 | C02 | C01 | H7 | 56.9° | 57.7° |
| O08 | C02 | C03 | H9 | 176.7° | 177.1° |
| H2 | C17 | C16 | H20 | 0.1° | 0.2° |
| H3 | C20 | C21 | H4 | 0.0° | 0.2° |
| H3 | C20 | C19 | H21 | 0.1° | 0.0° |
| H7 | C01 | C02 | H8 | 64.7° | 62.5° |
| H7 | C01 | C07 | H14 | 155.4° | 65.0° |
| H7 | C01 | C07 | H15 | 35.8° | 175.0° |
| H8 | C02 | C03 | H9 | 56.0° | 56.9° |
| H8 | C02 | O08 | H16 | 59.6° | 59.8° |
| H9 | C03 | C04 | H10 | 175.8° | 177.2° |
| H9 | C03 | O09 | H17 | 59.1° | 59.9° |
| H10 | C04 | C05 | H11 | 179.0° | 177.7° |
| H10 | C04 | O10 | H18 | 58.4° | 59.9° |
| H11 | C05 | C06 | H12 | 65.5° | 65.1° |
| H11 | C05 | C06 | H13 | 54.2° | 175.0° |
| H12 | C06 | O12 | H19 | 59.9° | 60.0° |
| H13 | C06 | O12 | H19 | 59.8° | 60.0° |
| H14 | C07 | C23 | H6 | 144.3° | 175.0° |
| H15 | C07 | C23 | H6 | 96.1° | 64.9° |
| H5 | C22 | C23 | H6 | 152.9° | 180.0° |
