A1EBJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O09 | C07 | doub | 1.22Å | 1.19Å | |
| C10 | N08 | sing | 1.47Å | 1.46Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C07 | N08 | sing | 1.35Å | 1.45Å | |
| C07 | C05 | sing | 1.48Å | 1.53Å | |
| C06 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C13 | sing | 1.51Å | 1.54Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N08 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N08 | 110.4° | 109.5° |
| C11 | C10 | C12 | 108.2° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.4° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C11 | C10 | H11 | 109.0° | 109.5° |
| O09 | C07 | N08 | 117.4° | 120.0° |
| O09 | C07 | C05 | 119.4° | 120.0° |
| N08 | C10 | C12 | 110.1° | 109.5° |
| C10 | N08 | C07 | 113.8° | 120.0° |
| N08 | C10 | H11 | 110.0° | 109.5° |
| C10 | N08 | H15 | 123.1° | 120.0° |
| C10 | C12 | H8 | 109.5° | 109.5° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.4° | 109.5° |
| C12 | C10 | H11 | 109.2° | 109.4° |
| N08 | C07 | C05 | 123.2° | 120.0° |
| C07 | N08 | H15 | 123.1° | 120.0° |
| C07 | C05 | C06 | 119.7° | 120.1° |
| C07 | C05 | C04 | 120.7° | 120.1° |
| C05 | C06 | C01 | 120.6° | 119.9° |
| C06 | C05 | C04 | 119.6° | 119.7° |
| C05 | C06 | H4 | 119.7° | 120.1° |
| C06 | C01 | C02 | 120.3° | 120.1° |
| C06 | C01 | H1 | 119.8° | 120.0° |
| C01 | C06 | H4 | 119.7° | 120.0° |
| C05 | C04 | C03 | 119.6° | 119.9° |
| C05 | C04 | H3 | 120.2° | 120.1° |
| C01 | C02 | C03 | 119.3° | 120.3° |
| C01 | C02 | C13 | 119.3° | 119.8° |
| C02 | C01 | H1 | 119.8° | 119.9° |
| C04 | C03 | C02 | 120.5° | 120.1° |
| C04 | C03 | H2 | 119.7° | 120.0° |
| C03 | C04 | H3 | 120.2° | 120.0° |
| C03 | C02 | C13 | 121.3° | 119.9° |
| C02 | C03 | H2 | 119.7° | 119.9° |
| C02 | C13 | H12 | 109.5° | 109.4° |
| C02 | C13 | H13 | 109.5° | 109.4° |
| C02 | C13 | H14 | 109.4° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N08 | C12 | 119.4° | 120.0° |
| C11 | C10 | N08 | H11 | 120.3° | 120.0° |
| C11 | C10 | C12 | H11 | 118.4° | 120.0° |
| C11 | C10 | N08 | C07 | 80.6° | 155.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 119.9° |
| C11 | C10 | C12 | H8 | 180.0° | 60.0° |
| C11 | C10 | C12 | H9 | 60.0° | 60.0° |
| C11 | C10 | C12 | H10 | 60.0° | 179.9° |
| C11 | C10 | N08 | H15 | 99.4° | 25.0° |
| O09 | C07 | N08 | C10 | 0.0° | 0.0° |
| O09 | C07 | N08 | C05 | 179.3° | 180.0° |
| O09 | C07 | C05 | C06 | 153.1° | 179.8° |
| O09 | C07 | C05 | C04 | 25.3° | 0.0° |
| O09 | C07 | N08 | H15 | 180.0° | 180.0° |
| N08 | C10 | C12 | H11 | 120.8° | 120.0° |
| C10 | N08 | C07 | H15 | 180.0° | 180.0° |
| C10 | N08 | C07 | C05 | 179.2° | 180.0° |
| N08 | C10 | C11 | H5 | 180.0° | 60.0° |
| N08 | C10 | C11 | H6 | 60.0° | 180.0° |
| N08 | C10 | C11 | H7 | 60.0° | 60.0° |
| N08 | C10 | C12 | H8 | 59.2° | 180.0° |
| N08 | C10 | C12 | H9 | 60.8° | 60.0° |
| N08 | C10 | C12 | H10 | 179.2° | 60.0° |
| C12 | C10 | N08 | C07 | 159.9° | 85.0° |
| C12 | C10 | C11 | H5 | 59.4° | 60.0° |
| C12 | C10 | C11 | H6 | 60.5° | 60.0° |
| C12 | C10 | C11 | H7 | 179.5° | 179.9° |
| C10 | C12 | H8 | H9 | 120.0° | 120.0° |
| C10 | C12 | H8 | H10 | 120.0° | 120.1° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C12 | C10 | N08 | H15 | 20.1° | 95.0° |
| N08 | C07 | C05 | C06 | 26.2° | 0.2° |
| N08 | C07 | C05 | C04 | 155.4° | 180.0° |
| C07 | N08 | C10 | H11 | 39.7° | 35.0° |
| C07 | C05 | C06 | C04 | 178.4° | 179.8° |
| C07 | C05 | C06 | C01 | 179.4° | 179.7° |
| C07 | C05 | C04 | C03 | 179.3° | 180.0° |
| C07 | C05 | C04 | H3 | 0.7° | 0.0° |
| C07 | C05 | C06 | H4 | 0.7° | 0.2° |
| C05 | C07 | N08 | H15 | 0.8° | 0.0° |
| C05 | C06 | C01 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.5° | 0.5° |
| C06 | C05 | C04 | C03 | 0.9° | 0.3° |
| C05 | C06 | C01 | H1 | 179.5° | 179.7° |
| C06 | C05 | C04 | H3 | 179.1° | 179.8° |
| C01 | C06 | C05 | C04 | 0.9° | 0.5° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | C13 | 179.8° | 179.8° |
| C05 | C04 | C03 | H3 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | H2 | 179.6° | 180.0° |
| C04 | C05 | C06 | H4 | 179.1° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | C13 | 179.8° | 180.0° |
| C01 | C02 | C03 | H2 | 179.9° | 180.0° |
| C02 | C01 | C06 | H4 | 179.6° | 180.0° |
| C01 | C02 | C13 | H12 | 90.1° | 90.0° |
| C01 | C02 | C13 | H13 | 149.9° | 150.0° |
| C01 | C02 | C13 | H14 | 29.9° | 30.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | C13 | 179.9° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | H3 | 179.6° | 180.0° |
| C03 | C02 | C13 | H12 | 90.1° | 90.0° |
| C03 | C02 | C13 | H13 | 29.9° | 30.0° |
| C03 | C02 | C13 | H14 | 149.9° | 149.9° |
| C13 | C02 | C01 | H1 | 0.2° | 0.0° |
| C13 | C02 | C03 | H2 | 0.1° | 0.0° |
| C02 | C13 | H12 | H13 | 120.0° | 119.9° |
| C02 | C13 | H12 | H14 | 120.0° | 120.0° |
| C02 | C13 | H13 | H14 | 120.0° | 120.0° |
| H1 | C01 | C06 | H4 | 0.5° | 0.2° |
| H2 | C03 | C04 | H3 | 0.3° | 0.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H5 | C11 | C10 | H11 | 59.1° | 180.0° |
| H6 | C11 | C10 | H11 | 179.1° | 60.0° |
| H7 | C11 | C10 | H11 | 60.9° | 60.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H8 | C12 | C10 | H11 | 61.6° | 60.0° |
| H9 | C12 | C10 | H11 | 178.5° | 180.0° |
| H10 | C12 | C10 | H11 | 58.4° | 60.0° |
| H11 | C10 | N08 | H15 | 140.4° | 145.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
