A1EDB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| O09 | C07 | doub | 1.22Å | 1.19Å | |
| C11 | N08 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C07 | N08 | sing | 1.35Å | 1.46Å | |
| C07 | C05 | sing | 1.48Å | 1.53Å | |
| C05 | C04 | doub | 1.40Å | 1.53Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.53Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.54Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.53Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.53Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.54Å | Aromatic |
| C02 | C10 | sing | 1.51Å | 1.54Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C13 | C12 | 59.6° | 60.0° |
| C13 | C11 | N08 | 115.1° | 117.5° |
| C13 | C11 | C12 | 60.4° | 60.0° |
| C11 | C13 | H3 | 120.1° | 117.5° |
| C11 | C13 | H4 | 120.1° | 117.5° |
| C13 | C11 | H12 | 118.1° | 117.5° |
| C13 | C12 | C11 | 60.0° | 60.0° |
| C13 | C12 | H1 | 120.0° | 117.6° |
| C13 | C12 | H2 | 120.0° | 117.4° |
| C12 | C13 | H3 | 120.1° | 117.5° |
| C12 | C13 | H4 | 120.1° | 117.5° |
| O09 | C07 | N08 | 119.8° | 120.0° |
| O09 | C07 | C05 | 120.6° | 119.9° |
| N08 | C11 | C12 | 111.9° | 117.5° |
| C11 | N08 | C07 | 117.9° | 120.0° |
| N08 | C11 | H12 | 119.4° | 115.6° |
| C11 | N08 | H13 | 121.0° | 120.0° |
| C11 | C12 | H1 | 120.0° | 117.6° |
| C11 | C12 | H2 | 120.0° | 117.5° |
| C12 | C11 | H12 | 118.2° | 117.5° |
| N08 | C07 | C05 | 119.5° | 120.0° |
| C07 | N08 | H13 | 121.0° | 120.0° |
| C07 | C05 | C04 | 119.2° | 120.2° |
| C07 | C05 | C06 | 119.8° | 120.1° |
| C04 | C05 | C06 | 120.9° | 119.7° |
| C05 | C04 | C03 | 119.7° | 119.8° |
| C05 | C04 | H7 | 120.1° | 120.1° |
| C05 | C06 | C01 | 119.2° | 119.8° |
| C05 | C06 | H8 | 120.4° | 120.1° |
| C04 | C03 | C02 | 120.0° | 120.2° |
| C04 | C03 | H6 | 120.0° | 119.9° |
| C03 | C04 | H7 | 120.2° | 120.1° |
| C06 | C01 | C02 | 120.6° | 120.2° |
| C06 | C01 | H5 | 119.7° | 119.9° |
| C01 | C06 | H8 | 120.4° | 120.1° |
| C03 | C02 | C01 | 119.6° | 120.3° |
| C03 | C02 | C10 | 120.1° | 119.8° |
| C02 | C03 | H6 | 120.0° | 120.0° |
| C01 | C02 | C10 | 120.3° | 119.9° |
| C02 | C01 | H5 | 119.7° | 119.9° |
| C02 | C10 | H9 | 109.5° | 109.5° |
| C02 | C10 | H10 | 109.5° | 109.5° |
| C02 | C10 | H11 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.5° | 115.5° |
| H3 | C13 | H4 | 109.4° | 115.6° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C13 | C12 | H3 | 109.3° | 107.5° |
| C11 | C13 | C12 | H4 | 109.4° | 107.5° |
| C13 | C11 | N08 | C12 | 66.5° | 68.6° |
| C13 | C11 | N08 | H12 | 149.3° | 145.6° |
| C13 | C11 | C12 | H12 | 108.1° | 107.4° |
| C13 | C11 | N08 | C07 | 121.8° | 155.0° |
| C11 | C13 | C12 | H1 | 109.5° | 107.6° |
| C11 | C13 | C12 | H2 | 109.5° | 107.5° |
| C11 | C13 | H3 | H4 | 144.9° | 145.7° |
| C13 | C11 | N08 | H13 | 58.2° | 25.1° |
| C13 | C12 | H1 | H2 | 144.7° | 145.6° |
| C12 | C13 | H3 | H4 | 145.0° | 145.7° |
| O09 | C07 | N08 | C11 | 0.7° | 0.0° |
| O09 | C07 | N08 | C05 | 179.0° | 179.9° |
| O09 | C07 | C05 | C04 | 150.6° | 0.1° |
| O09 | C07 | C05 | C06 | 28.1° | 179.8° |
| O09 | C07 | N08 | H13 | 179.3° | 179.9° |
| N08 | C11 | C12 | H12 | 144.7° | 145.1° |
| C11 | N08 | C07 | H13 | 180.0° | 179.9° |
| C11 | N08 | C07 | C05 | 179.7° | 180.0° |
| N08 | C11 | C12 | H1 | 2.2° | 0.1° |
| N08 | C11 | C12 | H2 | 143.3° | 145.1° |
| N08 | C11 | C13 | H3 | 7.4° | 145.0° |
| N08 | C11 | C13 | H4 | 148.6° | 0.0° |
| C12 | C11 | N08 | C07 | 171.8° | 136.4° |
| C11 | C12 | H1 | H2 | 144.8° | 145.7° |
| C12 | C11 | N08 | H13 | 8.2° | 43.5° |
| N08 | C07 | C05 | C04 | 28.4° | 180.0° |
| N08 | C07 | C05 | C06 | 152.9° | 0.2° |
| C07 | N08 | C11 | H12 | 27.6° | 9.4° |
| C07 | C05 | C04 | C06 | 178.7° | 179.8° |
| C07 | C05 | C04 | C03 | 179.4° | 179.9° |
| C07 | C05 | C06 | C01 | 179.6° | 179.7° |
| C07 | C05 | C04 | H7 | 0.6° | 0.1° |
| C07 | C05 | C06 | H8 | 0.3° | 0.2° |
| C05 | C07 | N08 | H13 | 0.3° | 0.0° |
| C05 | C04 | C03 | H7 | 180.0° | 179.8° |
| C04 | C05 | C06 | C01 | 1.0° | 0.5° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | H6 | 179.9° | 180.0° |
| C04 | C05 | C06 | H8 | 179.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.3° |
| C05 | C06 | C01 | H8 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.6° | 0.5° |
| C05 | C06 | C01 | H5 | 179.5° | 179.8° |
| C06 | C05 | C04 | H7 | 179.3° | 179.9° |
| C04 | C03 | C02 | H6 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.3° | 0.1° |
| C04 | C03 | C02 | C10 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.3° |
| C06 | C01 | C02 | H5 | 180.0° | 179.7° |
| C06 | C01 | C02 | C10 | 179.8° | 179.8° |
| C03 | C02 | C01 | C10 | 179.7° | 179.9° |
| C03 | C02 | C01 | H5 | 179.9° | 180.0° |
| C02 | C03 | C04 | H7 | 179.9° | 179.9° |
| C03 | C02 | C10 | H9 | 90.1° | 90.1° |
| C03 | C02 | C10 | H10 | 149.9° | 30.0° |
| C03 | C02 | C10 | H11 | 29.9° | 150.0° |
| C01 | C02 | C03 | H6 | 179.7° | 180.0° |
| C02 | C01 | C06 | H8 | 179.4° | 180.0° |
| C01 | C02 | C10 | H9 | 90.1° | 90.0° |
| C01 | C02 | C10 | H10 | 29.8° | 150.0° |
| C01 | C02 | C10 | H11 | 149.8° | 30.0° |
| C10 | C02 | C01 | H5 | 0.2° | 0.1° |
| C10 | C02 | C03 | H6 | 0.1° | 0.0° |
| C02 | C10 | H9 | H10 | 120.0° | 120.1° |
| C02 | C10 | H9 | H11 | 120.0° | 120.0° |
| C02 | C10 | H10 | H11 | 120.0° | 120.0° |
| H1 | C12 | C13 | H3 | 0.1° | 145.0° |
| H1 | C12 | C13 | H4 | 141.1° | 0.1° |
| H1 | C12 | C11 | H12 | 142.5° | 145.0° |
| H2 | C12 | C13 | H3 | 141.2° | 0.0° |
| H2 | C12 | C13 | H4 | 0.1° | 145.0° |
| H2 | C12 | C11 | H12 | 1.4° | 0.0° |
| H3 | C13 | C11 | H12 | 142.4° | 0.0° |
| H4 | C13 | C11 | H12 | 1.1° | 145.0° |
| H5 | C01 | C06 | H8 | 0.5° | 0.3° |
| H6 | C03 | C04 | H7 | 0.1° | 0.1° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | N08 | H13 | 152.4° | 170.7° |
