1EB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | N13 | doub | 1.22Å | 1.22Å | |
| N13 | O14 | sing | 1.22Å | 1.22Å | |
| N13 | C3 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.40Å | 1.41Å | |
| N7 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | O9 | doub | 1.21Å | 1.22Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| N7 | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | N13 | O14 | 120.1° | 120.0° |
| O15 | N13 | C3 | 120.0° | 120.0° |
| O14 | N13 | C3 | 119.9° | 120.0° |
| N13 | C3 | C4 | 120.0° | 119.9° |
| N13 | C3 | C2 | 120.0° | 119.9° |
| C3 | C4 | C5 | 119.5° | 120.1° |
| C4 | C3 | C2 | 120.0° | 120.1° |
| C3 | C4 | H3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| C5 | C4 | H3 | 120.3° | 120.0° |
| C4 | C5 | H4 | 119.2° | 120.0° |
| C3 | C2 | C1 | 120.4° | 120.1° |
| C3 | C2 | H2 | 119.8° | 119.9° |
| C5 | C6 | C1 | 118.1° | 119.8° |
| C5 | C6 | N7 | 118.1° | 120.1° |
| C6 | C5 | H4 | 119.2° | 120.0° |
| C2 | C1 | C6 | 120.5° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C1 | C6 | N7 | 123.6° | 120.1° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C6 | N7 | C8 | 127.2° | 120.0° |
| C6 | N7 | H5 | 116.4° | 120.0° |
| N7 | C8 | O9 | 122.8° | 120.0° |
| N7 | C8 | C10 | 119.3° | 120.0° |
| C8 | N7 | H5 | 116.4° | 120.0° |
| O9 | C8 | C10 | 117.8° | 120.0° |
| C8 | C10 | C11 | 116.3° | 117.5° |
| C8 | C10 | C12 | 118.5° | 117.5° |
| C8 | C10 | H6 | 117.0° | 115.6° |
| C11 | C10 | C12 | 59.4° | 60.0° |
| C10 | C11 | C12 | 60.4° | 60.0° |
| C11 | C10 | H6 | 116.6° | 117.5° |
| C10 | C11 | H7 | 119.9° | 117.5° |
| C10 | C11 | H8 | 119.9° | 117.5° |
| C10 | C12 | C11 | 60.1° | 60.0° |
| C12 | C10 | H6 | 116.5° | 117.5° |
| C10 | C12 | H9 | 120.0° | 117.5° |
| C10 | C12 | H10 | 120.0° | 117.5° |
| C12 | C11 | H7 | 120.0° | 117.4° |
| C12 | C11 | H8 | 119.9° | 117.5° |
| C11 | C12 | H9 | 120.0° | 117.5° |
| C11 | C12 | H10 | 120.0° | 117.5° |
| H7 | C11 | H8 | 109.4° | 115.6° |
| H9 | C12 | H10 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | N13 | O14 | C3 | 178.7° | 179.9° |
| O15 | N13 | C3 | C4 | 2.0° | 0.1° |
| O15 | N13 | C3 | C2 | 177.8° | 180.0° |
| O14 | N13 | C3 | C4 | 179.3° | 180.0° |
| O14 | N13 | C3 | C2 | 0.9° | 0.1° |
| N13 | C3 | C4 | C2 | 179.8° | 180.0° |
| N13 | C3 | C4 | C5 | 179.5° | 180.0° |
| N13 | C3 | C2 | C1 | 179.9° | 180.0° |
| N13 | C3 | C2 | H2 | 0.1° | 0.0° |
| N13 | C3 | C4 | H3 | 0.5° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.5° | 0.4° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 178.5° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C4 | C5 | C6 | H4 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 2.2° | 0.6° |
| C4 | C5 | C6 | N7 | 178.2° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.6° | 0.3° |
| C3 | C2 | C1 | H1 | 179.4° | 179.9° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C5 | C6 | C1 | C2 | 1.7° | 0.5° |
| C5 | C6 | C1 | N7 | 175.7° | 179.4° |
| C5 | C6 | N7 | C8 | 163.5° | 145.0° |
| C5 | C6 | C1 | H1 | 178.3° | 179.6° |
| C6 | C5 | C4 | H3 | 178.5° | 179.7° |
| C5 | C6 | N7 | H5 | 16.5° | 35.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | N7 | 177.5° | 180.0° |
| C1 | C6 | N7 | C8 | 12.3° | 35.6° |
| C6 | C1 | C2 | H2 | 179.4° | 179.7° |
| C1 | C6 | C5 | H4 | 177.8° | 179.7° |
| C1 | C6 | N7 | H5 | 167.8° | 144.3° |
| C6 | N7 | C8 | H5 | 180.0° | 179.9° |
| C6 | N7 | C8 | O9 | 4.3° | 4.6° |
| C6 | N7 | C8 | C10 | 176.6° | 175.3° |
| N7 | C6 | C1 | H1 | 2.5° | 0.2° |
| N7 | C6 | C5 | H4 | 1.8° | 0.3° |
| N7 | C8 | O9 | C10 | 179.1° | 179.9° |
| N7 | C8 | C10 | C11 | 113.0° | 180.0° |
| N7 | C8 | C10 | C12 | 179.2° | 111.4° |
| N7 | C8 | C10 | H6 | 31.3° | 34.3° |
| O9 | C8 | C10 | C11 | 67.8° | 0.0° |
| O9 | C8 | C10 | C12 | 0.0° | 68.6° |
| O9 | C8 | N7 | H5 | 175.7° | 175.3° |
| O9 | C8 | C10 | H6 | 147.8° | 145.7° |
| C8 | C10 | C11 | C12 | 109.0° | 107.5° |
| C8 | C10 | C11 | H6 | 144.5° | 145.1° |
| C8 | C10 | C12 | H6 | 148.0° | 145.0° |
| C10 | C8 | N7 | H5 | 3.4° | 4.7° |
| C8 | C10 | C11 | H7 | 141.4° | 145.1° |
| C8 | C10 | C11 | H8 | 0.6° | 0.0° |
| C8 | C10 | C12 | H9 | 4.2° | 0.0° |
| C8 | C10 | C12 | H10 | 145.2° | 145.0° |
| C11 | C10 | C12 | H6 | 106.7° | 107.5° |
| C10 | C11 | C12 | H7 | 109.6° | 107.5° |
| C10 | C11 | C12 | H8 | 109.6° | 107.5° |
| C10 | C11 | H7 | H8 | 144.5° | 145.8° |
| C11 | C10 | C12 | H9 | 109.5° | 107.5° |
| C11 | C10 | C12 | H10 | 109.5° | 107.5° |
| C10 | C12 | H9 | H10 | 144.7° | 145.7° |
| C12 | C11 | H7 | H8 | 144.5° | 145.6° |
| C11 | C12 | H9 | H10 | 144.6° | 145.7° |
| H1 | C1 | C2 | H2 | 0.6° | 0.1° |
| H3 | C4 | C5 | H4 | 1.5° | 0.0° |
| H6 | C10 | C11 | H7 | 3.1° | 0.1° |
| H6 | C10 | C11 | H8 | 143.9° | 145.0° |
| H6 | C10 | C12 | H9 | 143.8° | 145.0° |
| H6 | C10 | C12 | H10 | 2.8° | 0.0° |
| H7 | C11 | C12 | H9 | 140.9° | 145.0° |
| H7 | C11 | C12 | H10 | 0.1° | 0.0° |
| H8 | C11 | C12 | H9 | 0.1° | 0.0° |
| H8 | C11 | C12 | H10 | 140.9° | 145.0° |
