7QR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | doub | 1.33Å | 1.33Å | |
| C5 | C9 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.48Å | 1.48Å | |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| CL | C10 | sing | 1.74Å | 1.71Å | |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.43Å | 1.43Å | |
| C | N | sing | 1.39Å | 1.39Å | |
| C12 | N2 | trip | 1.14Å | 1.14Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 110.8° | 108.1° |
| C6 | C7 | C8 | 110.1° | 109.1° |
| C6 | C7 | H4 | 109.3° | 109.5° |
| C6 | C7 | H5 | 109.3° | 109.6° |
| C7 | C6 | H14 | 109.1° | 109.7° |
| C7 | C6 | H15 | 109.1° | 109.7° |
| C6 | C5 | C4 | 121.7° | 121.0° |
| C6 | C5 | C9 | 113.3° | 118.0° |
| C5 | C6 | H14 | 109.2° | 109.7° |
| C5 | C6 | H15 | 109.1° | 109.8° |
| C7 | C8 | N1 | 109.5° | 109.9° |
| C8 | C7 | H4 | 109.3° | 109.6° |
| C8 | C7 | H5 | 109.3° | 109.6° |
| C7 | C8 | H6 | 109.5° | 109.4° |
| C7 | C8 | H7 | 109.5° | 109.4° |
| C8 | N1 | C9 | 110.6° | 111.2° |
| N1 | C8 | H6 | 109.4° | 109.4° |
| N1 | C8 | H7 | 109.4° | 109.4° |
| C8 | N1 | H12 | 109.2° | 111.0° |
| C4 | C5 | C9 | 124.7° | 121.0° |
| C5 | C4 | C3 | 127.3° | 120.0° |
| C5 | C4 | H3 | 116.3° | 120.0° |
| C5 | C9 | N1 | 111.0° | 108.6° |
| C5 | C9 | H8 | 109.1° | 109.6° |
| C5 | C9 | H9 | 109.1° | 109.8° |
| C4 | C3 | C2 | 122.2° | 120.0° |
| C4 | C3 | C10 | 120.9° | 120.0° |
| C3 | C4 | H3 | 116.3° | 120.0° |
| N1 | C9 | H8 | 109.1° | 109.6° |
| N1 | C9 | H9 | 109.1° | 109.6° |
| C9 | N1 | H12 | 109.2° | 111.0° |
| C2 | C3 | C10 | 116.9° | 120.0° |
| C3 | C2 | C1 | 121.6° | 120.3° |
| C3 | C2 | H2 | 119.2° | 119.8° |
| C3 | C10 | CL | 119.5° | 120.2° |
| C3 | C10 | C11 | 122.5° | 119.8° |
| CL | C10 | C11 | 118.0° | 120.1° |
| C2 | C1 | C | 121.3° | 120.2° |
| C2 | C1 | H1 | 119.4° | 119.9° |
| C1 | C2 | H2 | 119.2° | 119.8° |
| C10 | C11 | C | 120.4° | 119.7° |
| C10 | C11 | C12 | 120.4° | 120.2° |
| C1 | C | C11 | 117.4° | 119.9° |
| C1 | C | N | 122.4° | 120.0° |
| C | C1 | H1 | 119.3° | 119.9° |
| C | C11 | C12 | 119.2° | 120.1° |
| C11 | C | N | 120.2° | 120.0° |
| C11 | C12 | N2 | 178.4° | 180.0° |
| C | N | H10 | 109.5° | 120.0° |
| C | N | H11 | 109.5° | 120.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.3° |
| H8 | C9 | H9 | 109.5° | 109.6° |
| H10 | N | H11 | 109.4° | 120.0° |
| H14 | C6 | H15 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H14 | 120.2° | 119.6° |
| C7 | C6 | C5 | H15 | 120.2° | 119.7° |
| C6 | C7 | C8 | H4 | 120.1° | 119.9° |
| C6 | C7 | C8 | H5 | 120.1° | 120.0° |
| C6 | C7 | C8 | N1 | 58.2° | 62.9° |
| C7 | C6 | C5 | C4 | 135.8° | 130.9° |
| C7 | C6 | C5 | C9 | 50.5° | 49.1° |
| C6 | C7 | H4 | H5 | 119.7° | 120.2° |
| C6 | C7 | C8 | H6 | 61.8° | 57.3° |
| C6 | C7 | C8 | H7 | 178.2° | 177.0° |
| C7 | C6 | H14 | H15 | 119.4° | 120.6° |
| C5 | C6 | C7 | C8 | 51.9° | 52.5° |
| C6 | C5 | C4 | C9 | 172.8° | 180.0° |
| C6 | C5 | C4 | C3 | 169.2° | 172.8° |
| C6 | C5 | C9 | N1 | 54.1° | 50.3° |
| C6 | C5 | C4 | H3 | 10.8° | 7.2° |
| C5 | C6 | C7 | H4 | 171.9° | 67.4° |
| C5 | C6 | C7 | H5 | 68.2° | 172.4° |
| C6 | C5 | C9 | H8 | 174.4° | 170.0° |
| C6 | C5 | C9 | H9 | 66.1° | 69.6° |
| C5 | C6 | H14 | H15 | 119.4° | 120.7° |
| C7 | C8 | N1 | H6 | 120.0° | 120.2° |
| C7 | C8 | N1 | H7 | 120.0° | 120.1° |
| C7 | C8 | N1 | C9 | 62.2° | 65.4° |
| C8 | C7 | H4 | H5 | 119.7° | 120.2° |
| C7 | C8 | H6 | H7 | 120.0° | 119.8° |
| C7 | C8 | N1 | H12 | 177.6° | 170.5° |
| C8 | C7 | C6 | H14 | 172.1° | 172.1° |
| C8 | C7 | C6 | H15 | 68.3° | 67.2° |
| C8 | N1 | C9 | C5 | 59.9° | 56.2° |
| C8 | N1 | C9 | H12 | 120.2° | 124.0° |
| N1 | C8 | C7 | H4 | 178.3° | 57.0° |
| N1 | C8 | C7 | H5 | 61.9° | 177.2° |
| N1 | C8 | H6 | H7 | 119.9° | 119.8° |
| C8 | N1 | C9 | H8 | 179.8° | 176.0° |
| C8 | N1 | C9 | H9 | 60.3° | 63.7° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C9 | N1 | 132.5° | 129.7° |
| C5 | C4 | C3 | C2 | 33.8° | 40.4° |
| C5 | C4 | C3 | C10 | 146.8° | 139.7° |
| C4 | C5 | C9 | H8 | 12.3° | 10.0° |
| C4 | C5 | C9 | H9 | 107.3° | 110.5° |
| C4 | C5 | C6 | H14 | 15.7° | 11.3° |
| C4 | C5 | C6 | H15 | 104.0° | 109.5° |
| C9 | C5 | C4 | C3 | 3.6° | 7.2° |
| C5 | C9 | N1 | H8 | 120.3° | 119.7° |
| C5 | C9 | N1 | H9 | 120.2° | 119.9° |
| C9 | C5 | C4 | H3 | 176.4° | 172.8° |
| C5 | C9 | H8 | H9 | 119.3° | 120.6° |
| C5 | C9 | N1 | H12 | 179.9° | 179.8° |
| C9 | C5 | C6 | H14 | 170.7° | 168.7° |
| C9 | C5 | C6 | H15 | 69.6° | 70.6° |
| C4 | C3 | C2 | C10 | 179.4° | 180.0° |
| C4 | C3 | C10 | CL | 0.5° | 0.0° |
| C4 | C3 | C2 | C1 | 178.5° | 179.9° |
| C4 | C3 | C10 | C11 | 178.3° | 179.7° |
| C4 | C3 | C2 | H2 | 1.5° | 0.0° |
| C9 | N1 | C8 | H6 | 57.8° | 54.8° |
| C9 | N1 | C8 | H7 | 177.8° | 174.5° |
| N1 | C9 | H8 | H9 | 119.3° | 120.4° |
| C2 | C3 | C10 | CL | 179.9° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C10 | C11 | 1.1° | 0.3° |
| C3 | C2 | C1 | C | 0.5° | 0.1° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H3 | 146.1° | 139.6° |
| C3 | C10 | CL | C11 | 178.9° | 179.7° |
| C10 | C3 | C2 | C1 | 0.9° | 0.1° |
| C3 | C10 | C11 | C | 0.8° | 0.6° |
| C3 | C10 | C11 | C12 | 179.1° | 180.0° |
| C10 | C3 | C2 | H2 | 179.1° | 180.0° |
| C10 | C3 | C4 | H3 | 33.2° | 40.4° |
| CL | C10 | C11 | C | 179.6° | 179.7° |
| CL | C10 | C11 | C12 | 2.1° | 0.3° |
| C2 | C1 | C | H1 | 180.0° | 179.6° |
| C2 | C1 | C | C11 | 0.1° | 0.4° |
| C2 | C1 | C | N | 179.3° | 179.7° |
| C10 | C11 | C | C1 | 0.3° | 0.6° |
| C10 | C11 | C | C12 | 178.3° | 179.4° |
| C10 | C11 | C | N | 179.5° | 179.5° |
| C10 | C11 | C12 | N2 | 70.1° | 167.6° |
| C1 | C | C11 | N | 179.2° | 179.9° |
| C1 | C | C11 | C12 | 178.6° | 180.0° |
| C | C1 | C2 | H2 | 179.5° | 180.0° |
| C1 | C | N | H10 | 180.0° | 0.1° |
| C1 | C | N | H11 | 60.0° | 179.9° |
| C | C11 | C12 | N2 | 111.6° | 13.0° |
| C11 | C | C1 | H1 | 179.9° | 179.9° |
| C11 | C | N | H10 | 0.9° | 180.0° |
| C11 | C | N | H11 | 119.1° | 0.0° |
| C12 | C11 | C | N | 2.3° | 0.0° |
| N | C | C1 | H1 | 0.8° | 0.1° |
| C | N | H10 | H11 | 120.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.4° |
| H4 | C7 | C8 | H6 | 58.3° | 177.2° |
| H4 | C7 | C8 | H7 | 61.7° | 63.1° |
| H4 | C7 | C6 | H14 | 67.8° | 52.2° |
| H4 | C7 | C6 | H15 | 51.7° | 172.9° |
| H5 | C7 | C8 | H6 | 178.1° | 62.7° |
| H5 | C7 | C8 | H7 | 58.1° | 57.1° |
| H5 | C7 | C6 | H14 | 52.0° | 67.9° |
| H5 | C7 | C6 | H15 | 171.6° | 52.7° |
| H6 | C8 | N1 | H12 | 62.3° | 69.3° |
| H7 | C8 | N1 | H12 | 57.6° | 50.4° |
| H8 | C9 | N1 | H12 | 59.7° | 60.0° |
| H9 | C9 | N1 | H12 | 59.8° | 60.3° |
