7NQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N2 | sing | 1.35Å | 1.36Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C4 | sing | 1.39Å | 1.39Å | |
| C4 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C8 | sing | 1.34Å | 1.39Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.42Å | 1.43Å | Aromatic |
| C3 | C13 | sing | 1.42Å | 1.45Å | Aromatic |
| C3 | O1 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 114.8° | 109.5° |
| C7 | C6 | H1 | 108.1° | 109.4° |
| C7 | C6 | H2 | 108.1° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C6 | C7 | H5 | 109.4° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C5 | N2 | 115.1° | 120.0° |
| C6 | C5 | O2 | 122.9° | 120.0° |
| C5 | C6 | H1 | 108.1° | 109.5° |
| C5 | C6 | H2 | 108.1° | 109.5° |
| N2 | C5 | O2 | 122.1° | 120.0° |
| C5 | N2 | C4 | 130.7° | 120.0° |
| C5 | N2 | H10 | 114.6° | 120.1° |
| N2 | C4 | N3 | 120.7° | 118.6° |
| N2 | C4 | N1 | 113.9° | 118.6° |
| C4 | N2 | H10 | 114.6° | 120.0° |
| N3 | C4 | N1 | 125.4° | 122.8° |
| C4 | N3 | C8 | 116.0° | 120.4° |
| C4 | N1 | C3 | 119.6° | 121.5° |
| N3 | C8 | C9 | 118.8° | 122.0° |
| N3 | C8 | C13 | 122.0° | 118.8° |
| N1 | C3 | C13 | 121.8° | 118.3° |
| N1 | C3 | O1 | 118.8° | 120.8° |
| C9 | C8 | C13 | 119.2° | 119.3° |
| C8 | C9 | C10 | 119.7° | 119.6° |
| C8 | C9 | H7 | 120.1° | 120.2° |
| C8 | C13 | C3 | 115.1° | 118.3° |
| C8 | C13 | C12 | 119.6° | 119.7° |
| C13 | C3 | O1 | 119.3° | 120.8° |
| C3 | C13 | C12 | 125.4° | 122.0° |
| C3 | O1 | C2 | 113.2° | 117.0° |
| C9 | C10 | C11 | 120.8° | 121.0° |
| C10 | C9 | H7 | 120.1° | 120.2° |
| C9 | C10 | H8 | 119.6° | 119.5° |
| C13 | C12 | C11 | 119.9° | 119.5° |
| C13 | C12 | H9 | 120.1° | 120.2° |
| O1 | C2 | C1 | 109.0° | 109.5° |
| O1 | C2 | H14 | 109.6° | 109.4° |
| O1 | C2 | H15 | 109.6° | 109.5° |
| C10 | C11 | C12 | 120.9° | 120.9° |
| C10 | C11 | H3 | 119.6° | 119.6° |
| C11 | C10 | H8 | 119.6° | 119.5° |
| C12 | C11 | H3 | 119.6° | 119.5° |
| C11 | C12 | H9 | 120.1° | 120.2° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.4° | 109.4° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C1 | C2 | H14 | 109.6° | 109.5° |
| C1 | C2 | H15 | 109.6° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H1 | 120.8° | 120.0° |
| C7 | C6 | C5 | H2 | 120.8° | 120.0° |
| C7 | C6 | C5 | N2 | 127.7° | 180.0° |
| C7 | C6 | C5 | O2 | 53.4° | 0.0° |
| C7 | C6 | H1 | H2 | 117.6° | 120.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.1° |
| C6 | C7 | H4 | H6 | 120.0° | 120.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.0° |
| C6 | C5 | N2 | O2 | 178.9° | 180.0° |
| C6 | C5 | N2 | C4 | 34.1° | 180.0° |
| C5 | C6 | H1 | H2 | 117.6° | 120.0° |
| C5 | C6 | C7 | H4 | 180.0° | 60.0° |
| C5 | C6 | C7 | H5 | 60.0° | 60.0° |
| C5 | C6 | C7 | H6 | 60.0° | 180.0° |
| C6 | C5 | N2 | H10 | 145.9° | 0.0° |
| C5 | N2 | C4 | H10 | 180.0° | 180.0° |
| C5 | N2 | C4 | N3 | 169.0° | 180.0° |
| C5 | N2 | C4 | N1 | 13.3° | 0.3° |
| N2 | C5 | C6 | H1 | 111.5° | 60.0° |
| N2 | C5 | C6 | H2 | 7.0° | 60.0° |
| O2 | C5 | N2 | C4 | 144.8° | 0.0° |
| O2 | C5 | C6 | H1 | 67.4° | 120.0° |
| O2 | C5 | C6 | H2 | 174.2° | 120.0° |
| O2 | C5 | N2 | H10 | 35.2° | 180.0° |
| N2 | C4 | N3 | N1 | 177.5° | 179.7° |
| N2 | C4 | N3 | C8 | 178.8° | 179.8° |
| N2 | C4 | N1 | C3 | 179.4° | 179.8° |
| N3 | C4 | N1 | C3 | 1.8° | 0.1° |
| C4 | N3 | C8 | C9 | 179.6° | 180.0° |
| C4 | N3 | C8 | C13 | 0.4° | 0.1° |
| N3 | C4 | N2 | H10 | 11.0° | 0.0° |
| N1 | C4 | N3 | C8 | 1.2° | 0.1° |
| C4 | N1 | C3 | C13 | 1.4° | 0.1° |
| C4 | N1 | C3 | O1 | 179.4° | 179.9° |
| N1 | C4 | N2 | H10 | 166.7° | 179.7° |
| N3 | C8 | C9 | C13 | 180.0° | 179.9° |
| N3 | C8 | C13 | C3 | 0.1° | 0.1° |
| N3 | C8 | C9 | C10 | 179.9° | 179.9° |
| N3 | C8 | C13 | C12 | 179.9° | 180.0° |
| N3 | C8 | C9 | H7 | 0.1° | 0.1° |
| N1 | C3 | C13 | C8 | 0.6° | 0.1° |
| N1 | C3 | C13 | O1 | 178.0° | 180.0° |
| N1 | C3 | C13 | C12 | 179.6° | 180.0° |
| N1 | C3 | O1 | C2 | 19.6° | 0.0° |
| C9 | C8 | C13 | C3 | 179.9° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C8 | C9 | C10 | H8 | 179.6° | 180.0° |
| C8 | C13 | C3 | C12 | 179.8° | 180.0° |
| C8 | C13 | C3 | O1 | 178.6° | 180.0° |
| C13 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C8 | C9 | H7 | 179.9° | 180.0° |
| C8 | C13 | C12 | H9 | 179.9° | 180.0° |
| C13 | C3 | O1 | C2 | 158.5° | 180.0° |
| C3 | C13 | C12 | C11 | 179.8° | 180.0° |
| C3 | C13 | C12 | H9 | 0.3° | 0.0° |
| O1 | C3 | C13 | C12 | 1.6° | 0.0° |
| C3 | O1 | C2 | C1 | 173.7° | 180.0° |
| C3 | O1 | C2 | H14 | 53.7° | 60.0° |
| C3 | O1 | C2 | H15 | 66.4° | 60.0° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C9 | C10 | C11 | H3 | 179.4° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | H3 | 179.6° | 180.0° |
| O1 | C2 | C1 | H14 | 119.9° | 120.0° |
| O1 | C2 | C1 | H15 | 119.9° | 120.0° |
| O1 | C2 | C1 | H11 | 180.0° | 59.9° |
| O1 | C2 | C1 | H12 | 60.0° | 60.0° |
| O1 | C2 | C1 | H13 | 60.0° | 180.0° |
| O1 | C2 | H14 | H15 | 120.2° | 120.0° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C11 | C10 | C9 | H7 | 179.6° | 180.0° |
| C10 | C11 | C12 | H9 | 179.6° | 180.0° |
| C12 | C11 | C10 | H8 | 179.4° | 180.0° |
| C2 | C1 | H11 | H12 | 120.0° | 119.9° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 119.9° | 120.0° |
| C1 | C2 | H14 | H15 | 120.2° | 120.0° |
| H1 | C6 | C7 | H4 | 59.2° | 180.0° |
| H1 | C6 | C7 | H5 | 60.8° | 60.0° |
| H1 | C6 | C7 | H6 | 179.2° | 60.0° |
| H2 | C6 | C7 | H4 | 59.2° | 60.0° |
| H2 | C6 | C7 | H5 | 179.2° | 180.0° |
| H2 | C6 | C7 | H6 | 60.8° | 60.0° |
| H3 | C11 | C10 | H8 | 0.6° | 0.0° |
| H3 | C11 | C12 | H9 | 0.4° | 0.0° |
| H4 | C7 | H5 | H6 | 120.0° | 119.9° |
| H7 | C9 | C10 | H8 | 0.4° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.1° |
| H11 | C1 | C2 | H14 | 60.0° | 60.0° |
| H11 | C1 | C2 | H15 | 60.1° | 180.0° |
| H12 | C1 | C2 | H14 | 179.9° | 180.0° |
| H12 | C1 | C2 | H15 | 59.9° | 60.0° |
| H13 | C1 | C2 | H14 | 59.9° | 60.0° |
| H13 | C1 | C2 | H15 | 179.9° | 60.0° |
