59L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C07 | doub | 1.22Å | 1.25Å | |
| O23 | C07 | sing | 1.35Å | 1.27Å | |
| C07 | C06 | sing | 1.47Å | 1.52Å | |
| O17 | C15 | doub | 1.22Å | 1.25Å | |
| C01 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | O16 | sing | 1.35Å | 1.26Å | |
| C15 | C10 | sing | 1.47Å | 1.51Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| N08 | C05 | sing | 1.39Å | 1.42Å | |
| N08 | C09 | sing | 1.39Å | 1.43Å | |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C20 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N19 | sing | 1.48Å | 1.41Å | |
| N19 | O22 | sing | 1.22Å | 1.36Å | |
| N19 | O21 | doub | 1.22Å | 1.22Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| N08 | H4 | sing | 0.97Å | 1.00Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| O16 | H8 | sing | 0.97Å | 0.95Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| O23 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C07 | O23 | 119.1° | 120.0° |
| O18 | C07 | C06 | 121.3° | 120.0° |
| O23 | C07 | C06 | 119.5° | 120.0° |
| C07 | O23 | H12 | 109.5° | 117.0° |
| C07 | C06 | C01 | 120.7° | 120.2° |
| C07 | C06 | C05 | 119.6° | 120.2° |
| O17 | C15 | O16 | 120.3° | 120.0° |
| O17 | C15 | C10 | 119.7° | 120.0° |
| C06 | C01 | C02 | 120.6° | 119.9° |
| C01 | C06 | C05 | 119.7° | 119.6° |
| C06 | C01 | H1 | 119.7° | 120.0° |
| C01 | C02 | C03 | 120.0° | 120.3° |
| C02 | C01 | H1 | 119.7° | 120.0° |
| C01 | C02 | H2 | 120.0° | 119.8° |
| C06 | C05 | N08 | 118.4° | 120.2° |
| C06 | C05 | C04 | 120.0° | 119.6° |
| O16 | C15 | C10 | 119.9° | 120.0° |
| C15 | O16 | H8 | 109.5° | 117.0° |
| C15 | C10 | C09 | 119.5° | 120.2° |
| C15 | C10 | C14 | 119.1° | 120.2° |
| C02 | C03 | C04 | 119.4° | 120.5° |
| C03 | C02 | H2 | 120.0° | 119.9° |
| C02 | C03 | H3 | 120.3° | 119.8° |
| C05 | N08 | C09 | 122.8° | 120.0° |
| N08 | C05 | C04 | 121.6° | 120.2° |
| C05 | N08 | H4 | 118.6° | 120.0° |
| N08 | C09 | C10 | 118.4° | 120.2° |
| N08 | C09 | C11 | 122.4° | 120.2° |
| C09 | N08 | H4 | 118.6° | 120.0° |
| C05 | C04 | C03 | 120.3° | 120.0° |
| C05 | C04 | C20 | 120.1° | 120.0° |
| C09 | C10 | C14 | 121.3° | 119.5° |
| C10 | C09 | C11 | 119.1° | 119.6° |
| C10 | C14 | C13 | 119.6° | 120.0° |
| C10 | C14 | H7 | 120.2° | 120.0° |
| C09 | C11 | C12 | 119.4° | 120.1° |
| C09 | C11 | H5 | 120.3° | 119.9° |
| C03 | C04 | C20 | 119.6° | 120.0° |
| C04 | C03 | H3 | 120.3° | 119.8° |
| C04 | C20 | H9 | 109.5° | 109.5° |
| C04 | C20 | H10 | 109.5° | 109.5° |
| C04 | C20 | H11 | 109.5° | 109.5° |
| C14 | C13 | C12 | 119.4° | 120.3° |
| C14 | C13 | H6 | 120.3° | 119.9° |
| C13 | C14 | H7 | 120.2° | 120.0° |
| C11 | C12 | C13 | 121.1° | 120.4° |
| C11 | C12 | N19 | 121.3° | 119.8° |
| C12 | C11 | H5 | 120.3° | 120.0° |
| C13 | C12 | N19 | 117.6° | 119.8° |
| C12 | C13 | H6 | 120.3° | 119.8° |
| C12 | N19 | O22 | 121.7° | 120.0° |
| C12 | N19 | O21 | 118.3° | 119.9° |
| O22 | N19 | O21 | 119.9° | 120.1° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H9 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C07 | O23 | C06 | 178.1° | 180.0° |
| O18 | C07 | C06 | C01 | 39.2° | 174.2° |
| O18 | C07 | C06 | C05 | 141.8° | 5.8° |
| O18 | C07 | O23 | H12 | 0.0° | 5.0° |
| O23 | C07 | C06 | C01 | 138.8° | 5.8° |
| O23 | C07 | C06 | C05 | 40.1° | 174.2° |
| C07 | C06 | C01 | C05 | 178.9° | 180.0° |
| C07 | C06 | C01 | C02 | 178.7° | 180.0° |
| C07 | C06 | C05 | N08 | 0.8° | 0.0° |
| C07 | C06 | C05 | C04 | 178.5° | 180.0° |
| C07 | C06 | C01 | H1 | 1.3° | 0.2° |
| C06 | C07 | O23 | H12 | 178.1° | 175.0° |
| O17 | C15 | O16 | C10 | 179.8° | 180.0° |
| O17 | C15 | C10 | C09 | 25.9° | 6.1° |
| O17 | C15 | C10 | C14 | 154.4° | 173.9° |
| O17 | C15 | O16 | H8 | 0.0° | 0.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 0.4° | 0.0° |
| C01 | C06 | C05 | N08 | 179.7° | 180.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.0° |
| C06 | C01 | C02 | H2 | 179.6° | 180.0° |
| C02 | C01 | C06 | C05 | 0.3° | 0.0° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.9° | 0.0° |
| C01 | C02 | C03 | H3 | 179.1° | 180.0° |
| C06 | C05 | N08 | C04 | 179.2° | 180.0° |
| C06 | C05 | N08 | C09 | 116.9° | 150.8° |
| C06 | C05 | C04 | C03 | 0.0° | 0.1° |
| C06 | C05 | C04 | C20 | 178.8° | 180.0° |
| C05 | C06 | C01 | H1 | 179.7° | 179.8° |
| C06 | C05 | N08 | H4 | 63.1° | 29.1° |
| O16 | C15 | C10 | C09 | 154.3° | 173.9° |
| O16 | C15 | C10 | C14 | 25.4° | 6.1° |
| C15 | C10 | C09 | N08 | 0.6° | 0.0° |
| C15 | C10 | C09 | C14 | 179.6° | 180.0° |
| C15 | C10 | C09 | C11 | 179.2° | 179.8° |
| C15 | C10 | C14 | C13 | 179.2° | 180.0° |
| C15 | C10 | C14 | H7 | 0.8° | 0.0° |
| C10 | C15 | O16 | H8 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.1° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C02 | C03 | C04 | C20 | 179.5° | 180.0° |
| C03 | C02 | C01 | H1 | 179.6° | 179.8° |
| C05 | N08 | C09 | H4 | 180.0° | 180.0° |
| C05 | N08 | C09 | C10 | 177.9° | 64.1° |
| C05 | N08 | C09 | C11 | 3.6° | 116.1° |
| N08 | C05 | C04 | C03 | 179.2° | 180.0° |
| N08 | C05 | C04 | C20 | 0.4° | 0.0° |
| C09 | N08 | C05 | C04 | 63.9° | 29.1° |
| N08 | C09 | C10 | C11 | 178.6° | 179.8° |
| N08 | C09 | C10 | C14 | 179.0° | 180.0° |
| N08 | C09 | C11 | C12 | 178.8° | 180.0° |
| N08 | C09 | C11 | H5 | 1.2° | 0.0° |
| C05 | C04 | C03 | C20 | 178.8° | 179.9° |
| C05 | C04 | C03 | H3 | 179.3° | 180.0° |
| C04 | C05 | N08 | H4 | 116.1° | 150.9° |
| C05 | C04 | C20 | H9 | 89.4° | 82.5° |
| C05 | C04 | C20 | H10 | 150.6° | 37.5° |
| C05 | C04 | C20 | H11 | 30.6° | 157.5° |
| C09 | C10 | C14 | C13 | 0.5° | 0.0° |
| C10 | C09 | C11 | C12 | 0.3° | 0.3° |
| C10 | C09 | N08 | H4 | 2.1° | 115.9° |
| C10 | C09 | C11 | H5 | 179.7° | 179.8° |
| C09 | C10 | C14 | H7 | 179.5° | 180.0° |
| C14 | C10 | C09 | C11 | 0.4° | 0.2° |
| C10 | C14 | C13 | H7 | 180.0° | 180.0° |
| C10 | C14 | C13 | C12 | 0.3° | 0.2° |
| C10 | C14 | C13 | H6 | 179.7° | 180.0° |
| C09 | C11 | C12 | H5 | 180.0° | 179.9° |
| C09 | C11 | C12 | C13 | 0.2° | 0.0° |
| C09 | C11 | C12 | N19 | 179.0° | 180.0° |
| C11 | C09 | N08 | H4 | 176.4° | 63.9° |
| C04 | C03 | C02 | H2 | 179.1° | 180.0° |
| C03 | C04 | C20 | H9 | 89.4° | 97.6° |
| C03 | C04 | C20 | H10 | 30.6° | 142.4° |
| C03 | C04 | C20 | H11 | 150.6° | 22.4° |
| C20 | C04 | C03 | H3 | 0.5° | 0.0° |
| C04 | C20 | H9 | H10 | 120.0° | 120.0° |
| C04 | C20 | H9 | H11 | 120.0° | 120.1° |
| C04 | C20 | H10 | H11 | 120.0° | 120.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.2° |
| C14 | C13 | C12 | H6 | 180.0° | 179.7° |
| C14 | C13 | C12 | N19 | 179.0° | 179.7° |
| C11 | C12 | C13 | N19 | 179.2° | 179.9° |
| C11 | C12 | N19 | O22 | 11.4° | 5.1° |
| C11 | C12 | N19 | O21 | 169.8° | 174.9° |
| C11 | C12 | C13 | H6 | 179.8° | 179.9° |
| C13 | C12 | N19 | O22 | 167.9° | 174.9° |
| C13 | C12 | N19 | O21 | 11.0° | 5.1° |
| C13 | C12 | C11 | H5 | 179.8° | 180.0° |
| C12 | C13 | C14 | H7 | 179.7° | 179.8° |
| C12 | N19 | O22 | O21 | 178.8° | 180.0° |
| N19 | C12 | C11 | H5 | 1.0° | 0.1° |
| N19 | C12 | C13 | H6 | 1.0° | 0.0° |
| H1 | C01 | C02 | H2 | 0.4° | 0.2° |
| H2 | C02 | C03 | H3 | 0.9° | 0.0° |
| H6 | C13 | C14 | H7 | 0.3° | 0.0° |
| H9 | C20 | H10 | H11 | 120.0° | 120.0° |
