KVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C10 | sing | 1.74Å | 1.74Å | |
| C10 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | CL1 | sing | 1.74Å | 1.71Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.40Å | 1.40Å | |
| N05 | C03 | sing | 1.35Å | 1.41Å | |
| O04 | C03 | doub | 1.22Å | 1.23Å | |
| C03 | N02 | sing | 1.35Å | 1.39Å | |
| N02 | O01 | sing | 1.42Å | 1.38Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C10 | C09 | 117.1° | 119.9° |
| CL2 | C10 | C12 | 121.7° | 120.0° |
| C09 | C10 | C12 | 121.2° | 120.1° |
| C10 | C09 | C07 | 121.0° | 120.0° |
| C10 | C09 | H091 | 119.5° | 120.0° |
| C10 | C12 | C13 | 117.0° | 120.1° |
| C10 | C12 | H121 | 121.5° | 120.0° |
| C09 | C07 | CL1 | 114.9° | 120.0° |
| C09 | C07 | C06 | 120.9° | 119.9° |
| C07 | C09 | H091 | 119.5° | 119.9° |
| C12 | C13 | C06 | 123.8° | 120.0° |
| C12 | C13 | H131 | 118.1° | 120.0° |
| C13 | C12 | H121 | 121.5° | 120.0° |
| CL1 | C07 | C06 | 124.2° | 120.1° |
| C07 | C06 | C13 | 116.1° | 119.9° |
| C07 | C06 | N05 | 129.2° | 120.0° |
| C13 | C06 | N05 | 114.7° | 120.1° |
| C06 | C13 | H131 | 118.1° | 120.0° |
| C06 | N05 | C03 | 133.5° | 120.0° |
| C06 | N05 | H051 | 113.3° | 120.0° |
| N05 | C03 | O04 | 128.1° | 120.0° |
| N05 | C03 | N02 | 107.9° | 120.0° |
| C03 | N05 | H051 | 113.3° | 120.1° |
| O04 | C03 | N02 | 124.1° | 120.0° |
| C03 | N02 | O01 | 116.9° | 120.0° |
| C03 | N02 | H021 | 121.6° | 120.1° |
| O01 | N02 | H021 | 121.6° | 120.0° |
| N02 | O01 | H011 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C10 | C09 | C12 | 179.5° | 179.7° |
| CL2 | C10 | C09 | C07 | 179.6° | 179.8° |
| CL2 | C10 | C12 | C13 | 179.9° | 179.8° |
| CL2 | C10 | C09 | H091 | 0.4° | 0.3° |
| CL2 | C10 | C12 | H121 | 0.1° | 0.3° |
| C10 | C09 | C07 | H091 | 180.0° | 179.9° |
| C09 | C10 | C12 | C13 | 0.6° | 0.0° |
| C10 | C09 | C07 | CL1 | 179.2° | 180.0° |
| C10 | C09 | C07 | C06 | 0.2° | 0.1° |
| C09 | C10 | C12 | H121 | 179.4° | 180.0° |
| C12 | C10 | C09 | C07 | 0.1° | 0.0° |
| C10 | C12 | C13 | H121 | 180.0° | 180.0° |
| C10 | C12 | C13 | C06 | 0.8° | 0.1° |
| C10 | C12 | C13 | H131 | 179.2° | 180.0° |
| C12 | C10 | C09 | H091 | 179.9° | 180.0° |
| C09 | C07 | CL1 | C06 | 179.4° | 179.9° |
| C09 | C07 | C06 | C13 | 0.1° | 0.1° |
| C09 | C07 | C06 | N05 | 178.0° | 179.9° |
| C12 | C13 | C06 | C07 | 0.5° | 0.1° |
| C12 | C13 | C06 | H131 | 180.0° | 179.9° |
| C12 | C13 | C06 | N05 | 178.9° | 179.9° |
| CL1 | C07 | C06 | C13 | 179.3° | 180.0° |
| CL1 | C07 | C06 | N05 | 2.6° | 0.0° |
| CL1 | C07 | C09 | H091 | 0.8° | 0.1° |
| C07 | C06 | C13 | N05 | 178.4° | 180.0° |
| C07 | C06 | N05 | C03 | 100.5° | 145.3° |
| C07 | C06 | C13 | H131 | 179.5° | 180.0° |
| C06 | C07 | C09 | H091 | 179.8° | 180.0° |
| C07 | C06 | N05 | H051 | 79.5° | 34.7° |
| C13 | C06 | N05 | C03 | 77.6° | 34.6° |
| C06 | C13 | C12 | H121 | 179.2° | 180.0° |
| C13 | C06 | N05 | H051 | 102.4° | 145.3° |
| C06 | N05 | C03 | H051 | 180.0° | 180.0° |
| C06 | N05 | C03 | O04 | 0.3° | 4.5° |
| C06 | N05 | C03 | N02 | 179.5° | 175.5° |
| N05 | C06 | C13 | H131 | 1.2° | 0.0° |
| N05 | C03 | O04 | N02 | 179.1° | 180.0° |
| N05 | C03 | N02 | O01 | 179.8° | 180.0° |
| N05 | C03 | N02 | H021 | 0.1° | 0.0° |
| O04 | C03 | N02 | O01 | 0.6° | 0.0° |
| O04 | C03 | N02 | H021 | 179.4° | 180.0° |
| O04 | C03 | N05 | H051 | 179.8° | 175.5° |
| C03 | N02 | O01 | H021 | 180.0° | 180.0° |
| N02 | C03 | N05 | H051 | 0.6° | 4.5° |
| C03 | N02 | O01 | H011 | 0.2° | 180.0° |
| H131 | C13 | C12 | H121 | 0.8° | 0.1° |
| H021 | N02 | O01 | H011 | 179.8° | 0.0° |
