E34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C5 | sing | 1.40Å | 1.35Å | |
| O8 | C4 | doub | 1.22Å | 1.23Å | |
| C2 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.50Å | |
| C4 | O7 | sing | 1.35Å | 1.46Å | |
| C1 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | N12 | sing | 1.39Å | 1.35Å | |
| C9 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| O7 | C11 | sing | 1.45Å | 1.41Å | |
| C11 | C13 | sing | 1.53Å | 1.50Å | |
| C3 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C5 | C2 | 119.3° | 120.0° |
| N10 | C5 | C9 | 119.8° | 120.0° |
| C5 | N10 | H10 | 109.5° | 120.0° |
| C5 | N10 | H11 | 109.4° | 120.0° |
| O8 | C4 | C1 | 122.1° | 120.0° |
| O8 | C4 | O7 | 119.1° | 120.0° |
| C5 | C2 | C1 | 120.4° | 119.9° |
| C2 | C5 | C9 | 120.8° | 119.9° |
| C5 | C2 | H12 | 119.8° | 120.1° |
| C2 | C1 | C4 | 122.0° | 120.1° |
| C2 | C1 | C3 | 118.4° | 119.9° |
| C1 | C2 | H12 | 119.8° | 120.1° |
| C5 | C9 | N12 | 122.0° | 119.9° |
| C5 | C9 | C6 | 119.0° | 120.1° |
| C1 | C4 | O7 | 118.8° | 120.0° |
| C4 | C1 | C3 | 119.6° | 120.1° |
| C4 | O7 | C11 | 123.9° | 117.0° |
| C1 | C3 | C6 | 121.4° | 120.1° |
| C1 | C3 | H6 | 119.3° | 120.0° |
| N12 | C9 | C6 | 119.0° | 119.9° |
| C9 | N12 | H8 | 109.5° | 120.0° |
| C9 | N12 | H9 | 109.5° | 120.0° |
| C9 | C6 | C3 | 119.9° | 120.1° |
| C9 | C6 | H7 | 120.0° | 120.0° |
| O7 | C11 | C13 | 106.0° | 109.4° |
| O7 | C11 | H1 | 110.3° | 109.5° |
| O7 | C11 | H2 | 110.3° | 109.5° |
| C13 | C11 | H1 | 110.3° | 109.5° |
| C13 | C11 | H2 | 110.3° | 109.4° |
| C11 | C13 | H3 | 109.5° | 109.4° |
| C11 | C13 | H4 | 109.5° | 109.5° |
| C11 | C13 | H5 | 109.5° | 109.5° |
| C6 | C3 | H6 | 119.3° | 120.0° |
| C3 | C6 | H7 | 120.0° | 119.9° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H8 | N12 | H9 | 109.5° | 120.0° |
| H10 | N10 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C5 | C2 | C9 | 179.7° | 179.8° |
| N10 | C5 | C2 | C1 | 179.7° | 179.7° |
| N10 | C5 | C9 | N12 | 0.3° | 0.0° |
| N10 | C5 | C9 | C6 | 179.9° | 180.0° |
| C5 | N10 | H10 | H11 | 120.0° | 180.0° |
| N10 | C5 | C2 | H12 | 0.2° | 0.2° |
| O8 | C4 | C1 | C2 | 10.1° | 0.2° |
| O8 | C4 | C1 | O7 | 179.3° | 179.7° |
| O8 | C4 | C1 | C3 | 169.2° | 180.0° |
| O8 | C4 | O7 | C11 | 21.6° | 0.0° |
| C5 | C2 | C1 | H12 | 180.0° | 179.5° |
| C5 | C2 | C1 | C4 | 180.0° | 179.7° |
| C5 | C2 | C1 | C3 | 0.7° | 0.5° |
| C2 | C5 | C9 | N12 | 180.0° | 179.7° |
| C2 | C5 | C9 | C6 | 0.4° | 0.2° |
| C2 | C5 | N10 | H10 | 180.0° | 179.7° |
| C2 | C5 | N10 | H11 | 60.0° | 0.3° |
| C1 | C2 | C5 | C9 | 0.0° | 0.5° |
| C2 | C1 | C4 | C3 | 179.3° | 179.8° |
| C2 | C1 | C4 | O7 | 169.2° | 179.5° |
| C2 | C1 | C3 | C6 | 1.0° | 0.2° |
| C2 | C1 | C3 | H6 | 179.0° | 179.7° |
| C5 | C9 | N12 | C6 | 179.6° | 180.0° |
| C5 | C9 | C6 | C3 | 0.0° | 0.0° |
| C5 | C9 | C6 | H7 | 180.0° | 180.0° |
| C5 | C9 | N12 | H8 | 180.0° | 180.0° |
| C5 | C9 | N12 | H9 | 60.0° | 0.1° |
| C9 | C5 | N10 | H10 | 0.3° | 0.0° |
| C9 | C5 | N10 | H11 | 120.3° | 180.0° |
| C9 | C5 | C2 | H12 | 180.0° | 180.0° |
| C1 | C4 | O7 | C11 | 157.7° | 179.7° |
| C4 | C1 | C3 | C6 | 179.7° | 180.0° |
| C4 | C1 | C3 | H6 | 0.3° | 0.0° |
| C4 | C1 | C2 | H12 | 0.1° | 0.2° |
| O7 | C4 | C1 | C3 | 11.5° | 0.3° |
| C4 | O7 | C11 | C13 | 133.8° | 180.0° |
| C4 | O7 | C11 | H1 | 106.8° | 60.0° |
| C4 | O7 | C11 | H2 | 14.3° | 60.0° |
| C1 | C3 | C6 | C9 | 0.7° | 0.0° |
| C1 | C3 | C6 | H6 | 180.0° | 180.0° |
| C1 | C3 | C6 | H7 | 179.3° | 180.0° |
| C3 | C1 | C2 | H12 | 179.3° | 180.0° |
| N12 | C9 | C6 | C3 | 179.7° | 180.0° |
| N12 | C9 | C6 | H7 | 0.3° | 0.0° |
| C9 | N12 | H8 | H9 | 120.0° | 180.0° |
| C9 | C6 | C3 | H7 | 180.0° | 180.0° |
| C9 | C6 | C3 | H6 | 179.3° | 180.0° |
| C6 | C9 | N12 | H8 | 0.4° | 0.0° |
| C6 | C9 | N12 | H9 | 119.7° | 180.0° |
| O7 | C11 | C13 | H1 | 119.5° | 120.0° |
| O7 | C11 | C13 | H2 | 119.5° | 120.0° |
| O7 | C11 | H1 | H2 | 121.6° | 120.0° |
| O7 | C11 | C13 | H3 | 180.0° | 180.0° |
| O7 | C11 | C13 | H4 | 60.0° | 60.0° |
| O7 | C11 | C13 | H5 | 60.0° | 60.1° |
| C13 | C11 | H1 | H2 | 121.6° | 120.0° |
| C11 | C13 | H3 | H4 | 120.0° | 120.0° |
| C11 | C13 | H3 | H5 | 120.0° | 120.0° |
| C11 | C13 | H4 | H5 | 120.0° | 120.1° |
| H1 | C11 | C13 | H3 | 60.5° | 60.0° |
| H1 | C11 | C13 | H4 | 179.4° | 180.0° |
| H1 | C11 | C13 | H5 | 59.5° | 59.9° |
| H2 | C11 | C13 | H3 | 60.5° | 60.0° |
| H2 | C11 | C13 | H4 | 59.5° | 60.0° |
| H2 | C11 | C13 | H5 | 179.5° | 180.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C3 | C6 | H7 | 0.7° | 0.0° |
