OE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | N2 | doub | 1.29Å | 1.30Å | Aromatic |
| N3 | C7 | sing | 1.35Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C12 | sing | 1.38Å | 1.32Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.38Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.35Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C13 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N3 | C7 | 108.5° | 110.3° |
| N3 | N2 | N1 | 106.5° | 109.4° |
| N3 | C7 | C8 | 131.3° | 133.1° |
| N3 | C7 | C12 | 108.8° | 107.7° |
| C7 | C8 | C9 | 118.6° | 119.9° |
| C8 | C7 | C12 | 119.9° | 119.3° |
| C7 | C8 | H3 | 120.7° | 120.0° |
| C8 | C9 | C10 | 120.9° | 120.7° |
| C9 | C8 | H3 | 120.7° | 120.0° |
| C8 | C9 | H11 | 119.6° | 119.6° |
| N2 | N1 | C12 | 113.4° | 106.5° |
| N2 | N1 | N | 122.1° | 126.8° |
| C7 | C12 | N1 | 102.7° | 106.1° |
| C7 | C12 | C11 | 121.8° | 119.9° |
| C9 | C10 | C11 | 120.8° | 120.5° |
| C9 | C10 | H4 | 119.6° | 119.8° |
| C10 | C9 | H11 | 119.6° | 119.7° |
| C12 | N1 | N | 124.3° | 126.7° |
| N1 | C12 | C11 | 135.5° | 134.0° |
| N1 | N | C6 | 123.0° | 120.0° |
| N1 | N | H9 | 118.5° | 120.0° |
| C12 | C11 | C10 | 118.0° | 119.7° |
| C12 | C11 | H10 | 121.0° | 120.2° |
| C11 | C10 | H4 | 119.6° | 119.8° |
| C10 | C11 | H10 | 121.0° | 120.2° |
| N | C6 | O | 123.6° | 120.0° |
| N | C6 | C5 | 114.8° | 120.0° |
| C6 | N | H9 | 118.5° | 120.0° |
| O | C6 | C5 | 121.5° | 120.0° |
| C6 | C5 | C4 | 111.4° | 109.5° |
| C6 | C5 | H1 | 109.0° | 109.4° |
| C6 | C5 | H2 | 109.0° | 109.5° |
| CL | C | C13 | 118.8° | 120.0° |
| CL | C | C1 | 119.3° | 120.0° |
| C | C13 | C4 | 119.7° | 120.0° |
| C13 | C | C1 | 121.7° | 120.0° |
| C | C13 | H5 | 120.2° | 120.0° |
| C13 | C4 | C5 | 119.9° | 120.0° |
| C13 | C4 | C3 | 119.0° | 120.0° |
| C4 | C13 | H5 | 120.2° | 120.0° |
| C | C1 | C2 | 118.6° | 120.0° |
| C | C1 | H8 | 120.7° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C4 | C5 | H1 | 109.0° | 109.5° |
| C4 | C5 | H2 | 109.0° | 109.5° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | H6 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H7 | 119.9° | 120.0° |
| C2 | C1 | H8 | 120.7° | 120.0° |
| C2 | C3 | H6 | 119.6° | 120.0° |
| C3 | C2 | H7 | 119.9° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N3 | C7 | C8 | 179.9° | 180.0° |
| N2 | N3 | C7 | C12 | 0.1° | 0.4° |
| N3 | N2 | N1 | C12 | 2.1° | 0.0° |
| N3 | N2 | N1 | N | 172.6° | 179.7° |
| N3 | C7 | C8 | C12 | 179.7° | 179.5° |
| N3 | C7 | C8 | C9 | 179.6° | 179.9° |
| C7 | N3 | N2 | N1 | 1.3° | 0.3° |
| N3 | C7 | C12 | N1 | 1.1° | 0.4° |
| N3 | C7 | C12 | C11 | 179.7° | 179.6° |
| N3 | C7 | C8 | H3 | 0.4° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.9° |
| C8 | C7 | C12 | N1 | 178.7° | 180.0° |
| C8 | C7 | C12 | C11 | 0.5° | 0.1° |
| C7 | C8 | C9 | H11 | 179.8° | 180.0° |
| C9 | C8 | C7 | C12 | 0.1° | 0.4° |
| C8 | C9 | C10 | H11 | 180.0° | 179.1° |
| C8 | C9 | C10 | C11 | 0.4° | 1.0° |
| C8 | C9 | C10 | H4 | 179.6° | 179.5° |
| N2 | N1 | C12 | C7 | 2.0° | 0.2° |
| N2 | N1 | C12 | N | 174.6° | 179.7° |
| N2 | N1 | C12 | C11 | 179.0° | 179.7° |
| N2 | N1 | N | C6 | 87.8° | 0.3° |
| N2 | N1 | N | H9 | 92.2° | 179.7° |
| C7 | C12 | N1 | C11 | 179.1° | 180.0° |
| C7 | C12 | N1 | N | 172.6° | 180.0° |
| C7 | C12 | C11 | C10 | 1.1° | 0.0° |
| C12 | C7 | C8 | H3 | 179.9° | 179.5° |
| C7 | C12 | C11 | H10 | 178.9° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.5° |
| C9 | C10 | C11 | H4 | 180.0° | 179.5° |
| C10 | C9 | C8 | H3 | 179.8° | 179.0° |
| C9 | C10 | C11 | H10 | 179.0° | 179.5° |
| N1 | C12 | C11 | C10 | 177.8° | 180.0° |
| C12 | N1 | N | C6 | 86.3° | 180.0° |
| C12 | N1 | N | H9 | 93.7° | 0.0° |
| N1 | C12 | C11 | H10 | 2.2° | 0.0° |
| N | N1 | C12 | C11 | 6.5° | 0.0° |
| N1 | N | C6 | H9 | 180.0° | 180.0° |
| N1 | N | C6 | O | 3.0° | 0.0° |
| N1 | N | C6 | C5 | 177.3° | 180.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H4 | 179.0° | 180.0° |
| C11 | C10 | C9 | H11 | 179.6° | 180.0° |
| N | C6 | O | C5 | 179.6° | 180.0° |
| N | C6 | C5 | C4 | 149.0° | 180.0° |
| N | C6 | C5 | H1 | 90.7° | 60.0° |
| N | C6 | C5 | H2 | 28.8° | 60.0° |
| O | C6 | C5 | C4 | 30.6° | 0.0° |
| O | C6 | C5 | H1 | 89.7° | 120.0° |
| O | C6 | C5 | H2 | 150.9° | 120.0° |
| O | C6 | N | H9 | 177.0° | 180.0° |
| C6 | C5 | C4 | C13 | 80.3° | 89.7° |
| C6 | C5 | C4 | H1 | 120.3° | 120.0° |
| C6 | C5 | C4 | H2 | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 98.3° | 90.0° |
| C6 | C5 | H1 | H2 | 119.1° | 120.0° |
| C5 | C6 | N | H9 | 2.6° | 0.0° |
| CL | C | C13 | C1 | 176.5° | 179.6° |
| CL | C | C13 | C4 | 174.7° | 180.0° |
| CL | C | C1 | C2 | 173.6° | 179.8° |
| CL | C | C13 | H5 | 5.3° | 0.0° |
| CL | C | C1 | H8 | 6.4° | 0.2° |
| C | C13 | C4 | H5 | 180.0° | 180.0° |
| C | C13 | C4 | C5 | 178.0° | 179.7° |
| C | C13 | C4 | C3 | 0.5° | 0.0° |
| C13 | C | C1 | C2 | 2.9° | 0.7° |
| C13 | C | C1 | H8 | 177.1° | 179.8° |
| C4 | C13 | C | C1 | 1.8° | 0.5° |
| C13 | C4 | C5 | C3 | 178.5° | 179.7° |
| C13 | C4 | C3 | C2 | 1.6° | 0.2° |
| C13 | C4 | C5 | H1 | 159.4° | 30.3° |
| C13 | C4 | C5 | H2 | 40.0° | 150.3° |
| C13 | C4 | C3 | H6 | 178.3° | 179.7° |
| C | C1 | C2 | H8 | 180.0° | 179.6° |
| C | C1 | C2 | C3 | 1.7° | 0.4° |
| C1 | C | C13 | H5 | 178.2° | 179.5° |
| C | C1 | C2 | H7 | 178.3° | 179.5° |
| C5 | C4 | C3 | C2 | 176.9° | 179.9° |
| C4 | C5 | H1 | H2 | 119.1° | 120.0° |
| C5 | C4 | C13 | H5 | 2.0° | 0.3° |
| C5 | C4 | C3 | H6 | 3.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 22.0° | 150.0° |
| C3 | C4 | C5 | H2 | 141.4° | 30.0° |
| C3 | C4 | C13 | H5 | 179.5° | 180.0° |
| C4 | C3 | C2 | H7 | 179.5° | 180.0° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H6 | 179.4° | 180.0° |
| C3 | C2 | C1 | H8 | 178.3° | 180.0° |
| H3 | C8 | C9 | H11 | 0.2° | 0.1° |
| H4 | C10 | C11 | H10 | 1.0° | 0.0° |
| H4 | C10 | C9 | H11 | 0.4° | 0.5° |
| H6 | C3 | C2 | H7 | 0.6° | 0.0° |
| H7 | C2 | C1 | H8 | 1.7° | 0.0° |
