X06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C12 | doub | 1.33Å | 1.36Å | Aromatic |
| N01 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| N02 | C13 | doub | 1.33Å | 1.34Å | Aromatic |
| N02 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| N03 | C12 | sing | 1.33Å | 1.35Å | Aromatic |
| N03 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| N04 | C13 | sing | 1.38Å | 1.28Å | |
| N05 | C14 | sing | 1.38Å | 1.27Å | |
| C06 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C06 | CL16 | sing | 1.74Å | 1.73Å | |
| C07 | C08 | sing | 1.38Å | 1.43Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.45Å | Aromatic |
| C09 | O15 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.38Å | Aromatic |
| N04 | HN04 | sing | 0.97Å | 1.00Å | |
| N04 | HN0A | sing | 0.97Å | 1.00Å | |
| N05 | HN05 | sing | 0.97Å | 1.00Å | |
| N05 | HN0B | sing | 0.97Å | 1.00Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N01 | C13 | 114.3° | 120.0° |
| N01 | C12 | N03 | 124.5° | 120.0° |
| N01 | C12 | C10 | 117.9° | 120.0° |
| N01 | C13 | N02 | 126.2° | 120.0° |
| N01 | C13 | N04 | 117.2° | 120.0° |
| C13 | N02 | C14 | 113.8° | 120.0° |
| N02 | C13 | N04 | 116.6° | 120.0° |
| N02 | C14 | N03 | 126.1° | 120.0° |
| N02 | C14 | N05 | 117.1° | 120.0° |
| C12 | N03 | C14 | 115.1° | 120.0° |
| N03 | C12 | C10 | 117.6° | 120.0° |
| N03 | C14 | N05 | 116.8° | 120.0° |
| C13 | N04 | HN04 | 109.5° | 119.9° |
| C13 | N04 | HN0A | 109.5° | 120.1° |
| C14 | N05 | HN05 | 109.5° | 120.0° |
| C14 | N05 | HN0B | 109.5° | 120.0° |
| C07 | C06 | C11 | 120.0° | 120.3° |
| C07 | C06 | CL16 | 119.3° | 119.9° |
| C06 | C07 | C08 | 119.9° | 120.3° |
| C06 | C07 | H07 | 120.0° | 119.9° |
| C11 | C06 | CL16 | 120.8° | 119.9° |
| C06 | C11 | C10 | 120.8° | 119.9° |
| C06 | C11 | H11 | 119.6° | 120.0° |
| C07 | C08 | C09 | 120.8° | 120.0° |
| C08 | C07 | H07 | 120.1° | 119.8° |
| C07 | C08 | H08 | 119.6° | 120.0° |
| C08 | C09 | C10 | 120.2° | 119.8° |
| C08 | C09 | O15 | 119.2° | 120.1° |
| C09 | C08 | H08 | 119.6° | 120.0° |
| C10 | C09 | O15 | 120.6° | 120.2° |
| C09 | C10 | C11 | 118.4° | 119.7° |
| C09 | C10 | C12 | 121.1° | 120.2° |
| C09 | O15 | HO15 | 109.5° | 114.0° |
| C11 | C10 | C12 | 120.5° | 120.1° |
| C10 | C11 | H11 | 119.6° | 120.1° |
| HN04 | N04 | HN0A | 109.5° | 120.0° |
| HN05 | N05 | HN0B | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N01 | C13 | N02 | 0.1° | 0.0° |
| N01 | C12 | N03 | C10 | 178.8° | 180.0° |
| N01 | C12 | N03 | C14 | 0.0° | 0.0° |
| C12 | N01 | C13 | N04 | 180.0° | 180.0° |
| N01 | C12 | C10 | C09 | 173.9° | 180.0° |
| N01 | C12 | C10 | C11 | 5.2° | 0.0° |
| N01 | C13 | N02 | N04 | 179.9° | 179.9° |
| N01 | C13 | N02 | C14 | 0.1° | 0.0° |
| C13 | N01 | C12 | N03 | 0.0° | 0.0° |
| C13 | N01 | C12 | C10 | 178.8° | 180.0° |
| N01 | C13 | N04 | HN04 | 0.0° | 0.1° |
| N01 | C13 | N04 | HN0A | 120.0° | 180.0° |
| C13 | N02 | C14 | N03 | 0.1° | 0.0° |
| C13 | N02 | C14 | N05 | 179.7° | 180.0° |
| N02 | C13 | N04 | HN04 | 179.9° | 180.0° |
| N02 | C13 | N04 | HN0A | 60.1° | 0.1° |
| N02 | C14 | N03 | C12 | 0.0° | 0.0° |
| N02 | C14 | N03 | N05 | 179.6° | 180.0° |
| C14 | N02 | C13 | N04 | 180.0° | 180.0° |
| N02 | C14 | N05 | HN05 | 0.0° | 0.0° |
| N02 | C14 | N05 | HN0B | 120.0° | 180.0° |
| C12 | N03 | C14 | N05 | 179.7° | 179.9° |
| N03 | C12 | C10 | C09 | 5.0° | 0.1° |
| N03 | C12 | C10 | C11 | 175.9° | 179.9° |
| C14 | N03 | C12 | C10 | 178.8° | 180.0° |
| N03 | C14 | N05 | HN05 | 179.7° | 180.0° |
| N03 | C14 | N05 | HN0B | 60.3° | 0.0° |
| C13 | N04 | HN04 | HN0A | 120.0° | 179.9° |
| C14 | N05 | HN05 | HN0B | 120.0° | 180.0° |
| C07 | C06 | C11 | CL16 | 179.6° | 179.7° |
| C06 | C07 | C08 | H07 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.1° | 0.1° |
| C07 | C06 | C11 | C10 | 0.1° | 0.0° |
| C06 | C07 | C08 | H08 | 179.9° | 180.0° |
| C07 | C06 | C11 | H11 | 179.8° | 179.9° |
| C11 | C06 | C07 | C08 | 0.2° | 0.0° |
| C06 | C11 | C10 | C09 | 0.0° | 0.0° |
| C06 | C11 | C10 | H11 | 180.0° | 179.9° |
| C06 | C11 | C10 | C12 | 179.1° | 180.0° |
| C11 | C06 | C07 | H07 | 179.8° | 180.0° |
| CL16 | C06 | C07 | C08 | 179.8° | 179.8° |
| CL16 | C06 | C11 | C10 | 179.7° | 179.7° |
| CL16 | C06 | C07 | H07 | 0.2° | 0.3° |
| CL16 | C06 | C11 | H11 | 0.3° | 0.2° |
| C07 | C08 | C09 | H08 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.1° | 0.1° |
| C07 | C08 | C09 | O15 | 179.8° | 180.0° |
| C08 | C09 | C10 | O15 | 179.7° | 179.9° |
| C08 | C09 | C10 | C11 | 0.1° | 0.1° |
| C08 | C09 | C10 | C12 | 179.0° | 179.9° |
| C09 | C08 | C07 | H07 | 179.9° | 180.0° |
| C08 | C09 | O15 | HO15 | 180.0° | 90.1° |
| C09 | C10 | C11 | C12 | 179.1° | 180.0° |
| C10 | C09 | C08 | H08 | 179.9° | 180.0° |
| C09 | C10 | C11 | H11 | 180.0° | 179.9° |
| C10 | C09 | O15 | HO15 | 0.4° | 90.0° |
| O15 | C09 | C10 | C11 | 179.8° | 179.9° |
| O15 | C09 | C10 | C12 | 0.7° | 0.0° |
| O15 | C09 | C08 | H08 | 0.2° | 0.1° |
| C12 | C10 | C11 | H11 | 0.9° | 0.1° |
| H07 | C07 | C08 | H08 | 0.1° | 0.1° |
