KUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.35Å | 1.33Å | |
| C08 | C07 | sing | 1.48Å | 1.50Å | |
| C09 | C10 | sing | 1.47Å | 1.54Å | |
| O18 | C07 | doub | 1.22Å | 1.18Å | |
| C07 | N06 | sing | 1.35Å | 1.44Å | |
| C10 | O17 | doub | 1.21Å | 1.22Å | |
| N06 | C05 | sing | 1.40Å | 1.45Å | |
| C05 | C04 | doub | 1.39Å | 1.36Å | Aromatic |
| C05 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.75Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| N06 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 116.3° | 120.0° |
| C08 | C09 | C10 | 118.2° | 120.0° |
| C09 | C08 | H5 | 121.9° | 119.9° |
| C08 | C09 | H6 | 120.9° | 120.0° |
| C08 | C07 | O18 | 124.3° | 120.0° |
| C08 | C07 | N06 | 112.7° | 120.0° |
| C07 | C08 | H5 | 121.9° | 120.0° |
| C09 | C10 | O17 | 125.4° | 120.0° |
| C09 | C10 | H1 | 117.3° | 120.0° |
| C10 | C09 | H6 | 120.9° | 120.1° |
| O18 | C07 | N06 | 122.9° | 120.0° |
| C07 | N06 | C05 | 126.1° | 120.0° |
| C07 | N06 | H8 | 116.9° | 120.0° |
| O17 | C10 | H1 | 117.3° | 120.0° |
| N06 | C05 | C04 | 113.1° | 120.1° |
| N06 | C05 | C19 | 123.1° | 120.0° |
| C05 | N06 | H8 | 117.0° | 120.0° |
| C04 | C05 | C19 | 123.7° | 119.9° |
| C05 | C04 | C03 | 119.2° | 119.9° |
| C05 | C04 | H4 | 120.4° | 120.0° |
| C05 | C19 | C20 | 117.2° | 119.9° |
| C05 | C19 | H7 | 121.4° | 120.0° |
| C04 | C03 | C02 | 118.3° | 120.1° |
| C04 | C03 | H3 | 120.8° | 119.9° |
| C03 | C04 | H4 | 120.4° | 120.1° |
| C19 | C20 | C02 | 118.2° | 120.0° |
| C19 | C20 | H2 | 120.9° | 120.0° |
| C20 | C19 | H7 | 121.3° | 120.0° |
| C03 | C02 | C20 | 123.4° | 120.1° |
| C03 | C02 | CL01 | 114.7° | 120.0° |
| C02 | C03 | H3 | 120.9° | 119.9° |
| C20 | C02 | CL01 | 121.9° | 119.9° |
| C02 | C20 | H2 | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | O18 | 128.3° | 5.6° |
| C09 | C08 | C07 | N06 | 53.8° | 174.4° |
| C08 | C09 | C10 | O17 | 78.3° | 174.5° |
| C08 | C09 | C10 | H1 | 101.7° | 5.8° |
| C07 | C08 | C09 | C10 | 5.3° | 5.3° |
| C08 | C07 | O18 | N06 | 177.7° | 180.0° |
| C08 | C07 | N06 | C05 | 179.3° | 174.5° |
| C07 | C08 | C09 | H6 | 174.7° | 174.7° |
| C08 | C07 | N06 | H8 | 0.7° | 5.5° |
| C09 | C10 | O17 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | H5 | 174.7° | 174.6° |
| O18 | C07 | N06 | C05 | 1.4° | 5.5° |
| O18 | C07 | C08 | H5 | 51.7° | 174.4° |
| O18 | C07 | N06 | H8 | 178.6° | 174.5° |
| C07 | N06 | C05 | H8 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 116.5° | 145.3° |
| C07 | N06 | C05 | C19 | 64.7° | 34.9° |
| N06 | C07 | C08 | H5 | 126.2° | 5.6° |
| O17 | C10 | C09 | H6 | 101.7° | 5.5° |
| N06 | C05 | C04 | C19 | 178.8° | 179.8° |
| N06 | C05 | C04 | C03 | 179.1° | 180.0° |
| N06 | C05 | C19 | C20 | 178.9° | 179.7° |
| N06 | C05 | C04 | H4 | 1.0° | 0.1° |
| N06 | C05 | C19 | H7 | 1.1° | 0.2° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | C19 | C20 | 0.2° | 0.5° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H3 | 179.9° | 180.0° |
| C04 | C05 | C19 | H7 | 179.8° | 180.0° |
| C04 | C05 | N06 | H8 | 63.5° | 34.7° |
| C19 | C05 | C04 | C03 | 0.3° | 0.2° |
| C05 | C19 | C20 | H7 | 180.0° | 179.4° |
| C05 | C19 | C20 | C02 | 0.2° | 0.5° |
| C05 | C19 | C20 | H2 | 179.8° | 179.7° |
| C19 | C05 | C04 | H4 | 179.7° | 179.7° |
| C19 | C05 | N06 | H8 | 115.3° | 145.1° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C20 | 0.6° | 0.0° |
| C04 | C03 | C02 | CL01 | 179.3° | 179.9° |
| C19 | C20 | C02 | C03 | 0.6° | 0.3° |
| C19 | C20 | C02 | H2 | 180.0° | 179.7° |
| C19 | C20 | C02 | CL01 | 179.2° | 179.8° |
| C03 | C02 | C20 | CL01 | 179.8° | 179.9° |
| C03 | C02 | C20 | H2 | 179.3° | 180.0° |
| C02 | C03 | C04 | H4 | 179.9° | 180.0° |
| C20 | C02 | C03 | H3 | 179.4° | 180.0° |
| C02 | C20 | C19 | H7 | 179.8° | 180.0° |
| CL01 | C02 | C20 | H2 | 0.8° | 0.0° |
| CL01 | C02 | C03 | H3 | 0.7° | 0.0° |
| H1 | C10 | C09 | H6 | 78.4° | 174.2° |
| H2 | C20 | C19 | H7 | 0.2° | 0.3° |
| H3 | C03 | C04 | H4 | 0.1° | 0.0° |
| H5 | C08 | C09 | H6 | 5.3° | 5.4° |
