A1D9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C9 | sing | 1.80Å | 1.76Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| N1 | C5 | sing | 1.40Å | 1.38Å | |
| O1 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C5 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.52Å | 1.51Å | |
| C9 | CL1 | sing | 1.80Å | 1.76Å | |
| C9 | C8 | sing | 1.53Å | 1.48Å | |
| C7 | C4 | sing | 1.50Å | 1.51Å | |
| C7 | C8 | sing | 1.52Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C9 | C7 | 117.3° | 117.5° |
| CL2 | C9 | CL1 | 110.0° | 115.6° |
| CL2 | C9 | C8 | 119.0° | 117.6° |
| C6 | N1 | C5 | 112.6° | 112.2° |
| N1 | C6 | O1 | 127.0° | 126.6° |
| N1 | C6 | C7 | 104.9° | 106.8° |
| C6 | N1 | H1 | 123.7° | 123.9° |
| N1 | C5 | C10 | 127.7° | 130.8° |
| N1 | C5 | C4 | 110.4° | 110.2° |
| C5 | N1 | H1 | 123.7° | 123.9° |
| O1 | C6 | C7 | 128.0° | 126.6° |
| C6 | C7 | C9 | 124.4° | 121.8° |
| C6 | C7 | C4 | 102.5° | 104.8° |
| C6 | C7 | C8 | 115.0° | 121.8° |
| C10 | C5 | C4 | 121.8° | 119.0° |
| C5 | C10 | C11 | 119.5° | 120.2° |
| C5 | C10 | H8 | 120.3° | 119.9° |
| C5 | C4 | C7 | 107.7° | 106.0° |
| C5 | C4 | C3 | 119.0° | 120.7° |
| C10 | C11 | C2 | 119.7° | 120.3° |
| C11 | C10 | H8 | 120.3° | 119.8° |
| C10 | C11 | H9 | 120.2° | 119.9° |
| C7 | C9 | CL1 | 124.7° | 117.5° |
| C7 | C9 | C8 | 60.6° | 59.8° |
| C9 | C7 | C4 | 124.0° | 121.7° |
| C9 | C7 | C8 | 58.8° | 60.3° |
| CL1 | C9 | C8 | 117.5° | 117.5° |
| C9 | C8 | C7 | 60.6° | 59.8° |
| C9 | C8 | H6 | 119.9° | 117.5° |
| C9 | C8 | H7 | 119.9° | 117.5° |
| C4 | C7 | C8 | 128.7° | 122.1° |
| C7 | C4 | C3 | 133.3° | 133.3° |
| C7 | C8 | H6 | 119.9° | 117.5° |
| C7 | C8 | H7 | 119.9° | 117.5° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C4 | C3 | H5 | 119.5° | 120.0° |
| C11 | C2 | C3 | 119.1° | 119.8° |
| C11 | C2 | C1 | 120.4° | 120.1° |
| C2 | C11 | H9 | 120.2° | 119.8° |
| C3 | C2 | C1 | 120.5° | 120.1° |
| C2 | C3 | H5 | 119.5° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C9 | C7 | C6 | 8.9° | 3.6° |
| CL2 | C9 | C7 | CL1 | 145.7° | 145.1° |
| CL2 | C9 | C7 | C8 | 109.5° | 107.5° |
| CL2 | C9 | CL1 | C8 | 140.4° | 145.8° |
| CL2 | C9 | C7 | C4 | 132.2° | 140.9° |
| CL2 | C9 | C8 | H6 | 2.8° | 145.2° |
| CL2 | C9 | C8 | H7 | 143.5° | 0.0° |
| C6 | N1 | C5 | H1 | 180.0° | 179.5° |
| N1 | C6 | O1 | C7 | 175.2° | 179.5° |
| C6 | N1 | C5 | C10 | 169.8° | 180.0° |
| C6 | N1 | C5 | C4 | 10.6° | 0.2° |
| N1 | C6 | C7 | C9 | 135.8° | 143.8° |
| N1 | C6 | C7 | C4 | 12.0° | 0.5° |
| N1 | C6 | C7 | C8 | 156.2° | 143.7° |
| C5 | N1 | C6 | O1 | 162.0° | 180.0° |
| C5 | N1 | C6 | C7 | 14.1° | 0.4° |
| N1 | C5 | C10 | C4 | 179.6° | 179.8° |
| N1 | C5 | C10 | C11 | 180.0° | 180.0° |
| N1 | C5 | C4 | C7 | 1.6° | 0.1° |
| N1 | C5 | C4 | C3 | 179.9° | 179.9° |
| N1 | C5 | C10 | H8 | 0.0° | 0.2° |
| O1 | C6 | C7 | C9 | 48.2° | 36.6° |
| O1 | C6 | C7 | C4 | 164.0° | 180.0° |
| O1 | C6 | C7 | C8 | 19.8° | 35.8° |
| O1 | C6 | N1 | H1 | 18.0° | 0.5° |
| C6 | C7 | C4 | C5 | 6.3° | 0.3° |
| C6 | C7 | C9 | C4 | 141.1° | 137.3° |
| C6 | C7 | C9 | C8 | 100.6° | 111.1° |
| C6 | C7 | C9 | CL1 | 154.6° | 141.5° |
| C6 | C7 | C4 | C8 | 137.2° | 144.0° |
| C6 | C7 | C4 | C3 | 171.8° | 179.7° |
| C7 | C6 | N1 | H1 | 165.9° | 179.9° |
| C6 | C7 | C8 | H6 | 6.9° | 141.4° |
| C6 | C7 | C8 | H7 | 133.8° | 3.7° |
| C5 | C10 | C11 | H8 | 180.0° | 179.8° |
| C10 | C5 | C4 | C7 | 178.7° | 179.7° |
| C10 | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C10 | C11 | C2 | 0.3° | 0.1° |
| C10 | C5 | N1 | H1 | 10.2° | 0.5° |
| C5 | C10 | C11 | H9 | 179.8° | 179.9° |
| C4 | C5 | C10 | C11 | 0.4° | 0.2° |
| C5 | C4 | C7 | C9 | 141.7° | 143.7° |
| C5 | C4 | C7 | C3 | 178.1° | 180.0° |
| C5 | C4 | C7 | C8 | 143.5° | 143.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | N1 | H1 | 169.4° | 179.7° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C5 | C10 | H8 | 179.6° | 180.0° |
| C10 | C11 | C2 | H9 | 180.0° | 180.0° |
| C10 | C11 | C2 | C3 | 0.0° | 0.3° |
| C10 | C11 | C2 | C1 | 179.8° | 180.0° |
| C7 | C9 | CL1 | C8 | 71.8° | 68.4° |
| C9 | C7 | C4 | C8 | 74.9° | 72.6° |
| C9 | C7 | C4 | C3 | 40.2° | 36.3° |
| C7 | C9 | C8 | H6 | 109.6° | 107.4° |
| C7 | C9 | C8 | H7 | 109.6° | 107.4° |
| CL1 | C9 | C7 | C4 | 13.5° | 4.2° |
| CL1 | C9 | C8 | H6 | 134.1° | 0.0° |
| CL1 | C9 | C8 | H7 | 6.7° | 145.2° |
| C9 | C8 | H6 | H7 | 144.4° | 145.8° |
| C7 | C4 | C3 | C2 | 178.0° | 180.0° |
| C7 | C4 | C3 | H5 | 2.0° | 0.0° |
| C4 | C7 | C8 | H6 | 139.8° | 3.4° |
| C4 | C7 | C8 | H7 | 0.9° | 141.7° |
| C8 | C7 | C4 | C3 | 34.7° | 36.3° |
| C7 | C8 | H6 | H7 | 144.4° | 145.7° |
| C4 | C3 | C2 | C11 | 0.1° | 0.3° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C11 | C2 | C3 | C1 | 179.8° | 179.7° |
| C11 | C2 | C1 | H2 | 89.9° | 90.3° |
| C11 | C2 | C1 | H3 | 150.1° | 29.7° |
| C11 | C2 | C1 | H4 | 30.1° | 149.7° |
| C11 | C2 | C3 | H5 | 179.9° | 179.7° |
| C2 | C11 | C10 | H8 | 179.7° | 179.7° |
| C3 | C2 | C1 | H2 | 89.9° | 90.0° |
| C3 | C2 | C1 | H3 | 30.1° | 150.0° |
| C3 | C2 | C1 | H4 | 150.1° | 30.0° |
| C3 | C2 | C11 | H9 | 180.0° | 179.7° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H4 | 120.0° | 119.9° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 0.3° | 0.0° |
| C1 | C2 | C11 | H9 | 0.2° | 0.0° |
| H2 | C1 | H3 | H4 | 120.0° | 120.1° |
| H8 | C10 | C11 | H9 | 0.3° | 0.3° |
