2C0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| CL | C8 | sing | 1.74Å | 1.78Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | C2 | sing | 1.51Å | 1.49Å | |
| C5 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | O1 | doub | 1.21Å | 1.34Å | |
| C4 | O2 | sing | 1.34Å | 1.24Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 118.5° | 120.0° |
| C7 | C6 | C5 | 120.8° | 120.0° |
| C6 | C7 | H1 | 120.7° | 119.9° |
| C7 | C6 | H2 | 119.6° | 120.0° |
| C7 | C8 | CL | 120.3° | 120.0° |
| C7 | C8 | C9 | 121.5° | 119.9° |
| C8 | C7 | H1 | 120.8° | 120.0° |
| CL | C8 | C9 | 118.1° | 120.0° |
| N | C1 | C2 | 109.8° | 109.5° |
| N | C1 | H6 | 109.4° | 109.4° |
| N | C1 | H7 | 109.4° | 109.4° |
| C1 | N | H8 | 109.5° | 111.0° |
| C1 | N | H9 | 109.4° | 111.0° |
| C6 | C5 | C2 | 121.5° | 120.0° |
| C6 | C5 | C10 | 120.1° | 120.0° |
| C5 | C6 | H2 | 119.6° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H3 | 120.0° | 120.0° |
| C1 | C2 | C5 | 112.0° | 109.5° |
| C1 | C2 | C3 | 108.2° | 109.5° |
| C1 | C2 | H5 | 109.3° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.4° | 109.5° |
| C2 | C5 | C10 | 118.1° | 120.0° |
| C5 | C2 | C3 | 107.7° | 109.5° |
| C5 | C2 | H5 | 110.2° | 109.5° |
| C5 | C10 | C9 | 119.0° | 120.0° |
| C5 | C10 | H4 | 120.5° | 120.0° |
| C10 | C9 | H3 | 120.0° | 120.0° |
| C9 | C10 | H4 | 120.5° | 120.0° |
| C2 | C3 | C4 | 114.8° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.5° |
| C2 | C3 | H11 | 108.1° | 109.5° |
| C2 | C3 | H12 | 108.1° | 109.5° |
| C3 | C4 | O1 | 117.9° | 120.0° |
| C3 | C4 | O2 | 122.5° | 120.0° |
| C4 | C3 | H11 | 108.1° | 109.5° |
| C4 | C3 | H12 | 108.1° | 109.4° |
| O1 | C4 | O2 | 119.6° | 120.0° |
| C4 | O2 | H13 | 109.5° | 117.0° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | N | H9 | 109.5° | 111.0° |
| H11 | C3 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H1 | 180.0° | 180.0° |
| C6 | C7 | C8 | CL | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 3.5° | 0.3° |
| C7 | C6 | C5 | C2 | 175.4° | 180.0° |
| C7 | C6 | C5 | C10 | 1.3° | 0.4° |
| C7 | C8 | CL | C9 | 176.6° | 179.8° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C7 | C8 | C9 | C10 | 4.7° | 0.3° |
| C8 | C7 | C6 | H2 | 179.5° | 180.0° |
| C7 | C8 | C9 | H3 | 175.3° | 179.7° |
| CL | C8 | C9 | C10 | 178.7° | 180.0° |
| CL | C8 | C7 | H1 | 0.0° | 0.0° |
| CL | C8 | C9 | H3 | 1.3° | 0.0° |
| N | C1 | C2 | H6 | 120.1° | 120.0° |
| N | C1 | C2 | H7 | 120.1° | 120.0° |
| N | C1 | C2 | C5 | 69.7° | 65.0° |
| N | C1 | C2 | C3 | 171.8° | 175.0° |
| N | C1 | C2 | H5 | 52.8° | 55.0° |
| N | C1 | H6 | H7 | 119.9° | 120.0° |
| C1 | N | H8 | H9 | 120.0° | 124.0° |
| C6 | C5 | C2 | C1 | 49.5° | 120.0° |
| C6 | C5 | C2 | C10 | 174.3° | 179.7° |
| C6 | C5 | C10 | C9 | 0.1° | 0.4° |
| C6 | C5 | C2 | C3 | 69.4° | 120.0° |
| C5 | C6 | C7 | H1 | 179.5° | 179.9° |
| C6 | C5 | C10 | H4 | 179.9° | 179.7° |
| C6 | C5 | C2 | H5 | 171.4° | 0.0° |
| C8 | C9 | C10 | C5 | 2.8° | 0.1° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 176.5° | 179.8° |
| C8 | C9 | C10 | H4 | 177.2° | 180.0° |
| C1 | C2 | C5 | C3 | 118.8° | 120.0° |
| C1 | C2 | C5 | H5 | 122.0° | 120.0° |
| C1 | C2 | C5 | C10 | 136.3° | 60.3° |
| C1 | C2 | C3 | H5 | 119.0° | 120.0° |
| C1 | C2 | C3 | C4 | 163.3° | 65.0° |
| C2 | C1 | H6 | H7 | 119.8° | 120.0° |
| C2 | C1 | N | H8 | 180.0° | 180.0° |
| C2 | C1 | N | H9 | 60.0° | 56.0° |
| C1 | C2 | C3 | H11 | 75.9° | 175.0° |
| C1 | C2 | C3 | H12 | 42.5° | 55.0° |
| C2 | C5 | C10 | C9 | 174.5° | 180.0° |
| C5 | C2 | C3 | H5 | 119.8° | 120.0° |
| C5 | C2 | C3 | C4 | 75.4° | 175.0° |
| C2 | C5 | C6 | H2 | 4.5° | 0.1° |
| C2 | C5 | C10 | H4 | 5.5° | 0.0° |
| C5 | C2 | C1 | H6 | 50.3° | 175.1° |
| C5 | C2 | C1 | H7 | 170.2° | 55.0° |
| C5 | C2 | C3 | H11 | 45.3° | 55.0° |
| C5 | C2 | C3 | H12 | 163.8° | 65.0° |
| C5 | C10 | C9 | H4 | 180.0° | 179.9° |
| C10 | C5 | C2 | C3 | 104.9° | 59.7° |
| C10 | C5 | C6 | H2 | 178.7° | 179.7° |
| C5 | C10 | C9 | H3 | 177.2° | 180.0° |
| C10 | C5 | C2 | H5 | 14.3° | 179.7° |
| C2 | C3 | C4 | H11 | 120.8° | 120.0° |
| C2 | C3 | C4 | H12 | 120.8° | 120.0° |
| C2 | C3 | C4 | O1 | 147.6° | 0.0° |
| C2 | C3 | C4 | O2 | 35.3° | 180.0° |
| C3 | C2 | C1 | H6 | 68.2° | 55.0° |
| C3 | C2 | C1 | H7 | 51.7° | 65.0° |
| C2 | C3 | H11 | H12 | 117.6° | 120.0° |
| C3 | C4 | O1 | O2 | 177.2° | 179.9° |
| C4 | C3 | C2 | H5 | 44.3° | 55.0° |
| C4 | C3 | H11 | H12 | 117.6° | 120.0° |
| C3 | C4 | O2 | H13 | 177.1° | 180.0° |
| O1 | C4 | C3 | H11 | 26.9° | 120.0° |
| O1 | C4 | C3 | H12 | 91.6° | 120.0° |
| O1 | C4 | O2 | H13 | 0.0° | 0.1° |
| O2 | C4 | C3 | H11 | 156.0° | 59.9° |
| O2 | C4 | C3 | H12 | 85.5° | 60.0° |
| H1 | C7 | C6 | H2 | 0.5° | 0.0° |
| H3 | C9 | C10 | H4 | 2.8° | 0.0° |
| H5 | C2 | C1 | H6 | 172.8° | 64.9° |
| H5 | C2 | C1 | H7 | 67.3° | 175.0° |
| H5 | C2 | C3 | H11 | 165.1° | 65.0° |
| H5 | C2 | C3 | H12 | 76.5° | 175.0° |
| H6 | C1 | N | H8 | 60.0° | 60.0° |
| H6 | C1 | N | H9 | 60.0° | 176.0° |
| H7 | C1 | N | H8 | 59.9° | 60.0° |
| H7 | C1 | N | H9 | 180.0° | 64.0° |
