6J5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.71Å | |
| C2 | C3 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | O8 | sing | 1.36Å | 1.35Å | |
| O8 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.51Å | 1.45Å | |
| C10 | N11 | sing | 1.35Å | 1.36Å | Aromatic |
| C10 | N14 | doub | 1.31Å | 1.34Å | Aromatic |
| N11 | N12 | sing | 1.29Å | 1.36Å | Aromatic |
| N12 | N13 | doub | 1.29Å | 1.36Å | Aromatic |
| N13 | N14 | sing | 1.29Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 114.6° | 120.0° |
| CL1 | C2 | C7 | 127.3° | 120.0° |
| C3 | C2 | C7 | 118.1° | 120.0° |
| C2 | C3 | C4 | 122.0° | 120.1° |
| C2 | C3 | H3 | 119.0° | 120.0° |
| C2 | C7 | C6 | 120.9° | 119.8° |
| C2 | C7 | O8 | 115.7° | 120.1° |
| C3 | C4 | C5 | 119.4° | 120.1° |
| C4 | C3 | H3 | 119.0° | 119.9° |
| C3 | C4 | H4 | 120.3° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | O8 | 123.4° | 120.1° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C7 | O8 | C9 | 109.3° | 117.0° |
| O8 | C9 | C10 | 106.0° | 109.5° |
| O8 | C9 | H9 | 110.3° | 109.4° |
| O8 | C9 | H9A | 110.3° | 109.4° |
| C9 | C10 | N11 | 122.5° | 126.6° |
| C9 | C10 | N14 | 122.6° | 126.6° |
| C10 | C9 | H9 | 110.3° | 109.5° |
| C10 | C9 | H9A | 110.3° | 109.5° |
| N11 | C10 | N14 | 114.9° | 106.7° |
| C10 | N11 | N12 | 103.7° | 107.1° |
| C10 | N11 | HN11 | 128.1° | 126.4° |
| C10 | N14 | N13 | 102.3° | 108.0° |
| N11 | N12 | N13 | 107.8° | 108.8° |
| N12 | N11 | HN11 | 128.2° | 126.5° |
| N12 | N13 | N14 | 111.3° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C7 | 178.5° | 179.8° |
| CL1 | C2 | C3 | C4 | 179.5° | 180.0° |
| CL1 | C2 | C7 | C6 | 179.4° | 179.7° |
| CL1 | C2 | C7 | O8 | 1.6° | 0.0° |
| CL1 | C2 | C3 | H3 | 0.4° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C7 | C6 | 1.1° | 0.6° |
| C3 | C2 | C7 | O8 | 179.9° | 179.8° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C7 | C2 | C3 | C4 | 1.0° | 0.2° |
| C2 | C7 | C6 | C5 | 0.4° | 0.6° |
| C2 | C7 | C6 | O8 | 179.0° | 179.7° |
| C2 | C7 | O8 | C9 | 156.3° | 180.0° |
| C7 | C2 | C3 | H3 | 179.0° | 179.7° |
| C2 | C7 | C6 | H6 | 179.6° | 179.6° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.2° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | O8 | 179.4° | 179.8° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C6 | C7 | O8 | C9 | 24.7° | 0.3° |
| C7 | C6 | C5 | H5 | 179.6° | 179.7° |
| C7 | O8 | C9 | C10 | 179.8° | 180.0° |
| O8 | C7 | C6 | H6 | 0.6° | 0.0° |
| C7 | O8 | C9 | H9 | 60.8° | 60.0° |
| C7 | O8 | C9 | H9A | 60.3° | 60.0° |
| O8 | C9 | C10 | H9 | 119.4° | 120.0° |
| O8 | C9 | C10 | H9A | 119.4° | 120.0° |
| O8 | C9 | C10 | N11 | 68.8° | 0.0° |
| O8 | C9 | C10 | N14 | 112.4° | 179.7° |
| O8 | C9 | H9 | H9A | 121.6° | 120.0° |
| C9 | C10 | N11 | N14 | 178.9° | 179.7° |
| C9 | C10 | N11 | N12 | 178.6° | 180.0° |
| C9 | C10 | N14 | N13 | 178.7° | 179.9° |
| C10 | C9 | H9 | H9A | 121.6° | 120.0° |
| C9 | C10 | N11 | HN11 | 1.4° | 0.0° |
| C10 | N11 | N12 | HN11 | 180.0° | 180.0° |
| C10 | N11 | N12 | N13 | 0.3° | 0.0° |
| N11 | C10 | N14 | N13 | 0.2° | 0.4° |
| N11 | C10 | C9 | H9 | 50.6° | 120.0° |
| N11 | C10 | C9 | H9A | 171.7° | 120.0° |
| N14 | C10 | N11 | N12 | 0.3° | 0.2° |
| C10 | N14 | N13 | N12 | 0.1° | 0.4° |
| N14 | C10 | C9 | H9 | 128.2° | 59.7° |
| N14 | C10 | C9 | H9A | 7.1° | 60.4° |
| N14 | C10 | N11 | HN11 | 179.7° | 179.8° |
| N11 | N12 | N13 | N14 | 0.2° | 0.2° |
| N13 | N12 | N11 | HN11 | 179.7° | 180.0° |
| H3 | C3 | C4 | H4 | 0.3° | 0.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.0° |
| H5 | C5 | C6 | H6 | 0.4° | 0.1° |
