EPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O17 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | O18 | sing | 1.43Å | 1.39Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| O18 | C8 | sing | 1.35Å | 1.44Å | |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | N11 | sing | 1.34Å | 1.52Å | |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| N11 | O14 | sing | 1.22Å | 1.20Å | |
| N11 | O16 | doub | 1.22Å | 1.20Å | |
| C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C1 | C2 | 113.5° | 109.5° |
| O17 | C1 | H11 | 110.7° | 109.5° |
| O17 | C1 | H12 | 110.8° | 109.4° |
| C1 | O17 | H17 | 113.5° | 106.8° |
| C2 | C1 | H11 | 110.7° | 109.5° |
| C2 | C1 | H12 | 110.7° | 109.4° |
| C1 | C2 | C3 | 116.2° | 109.5° |
| C1 | C2 | H21 | 109.7° | 109.5° |
| C1 | C2 | H22 | 109.8° | 109.5° |
| H11 | C1 | H12 | 99.5° | 109.5° |
| C3 | C2 | H21 | 109.8° | 109.4° |
| C3 | C2 | H22 | 109.8° | 109.4° |
| C2 | C3 | O18 | 126.4° | 109.6° |
| C2 | C3 | H31 | 106.3° | 109.5° |
| C2 | C3 | H32 | 106.2° | 109.4° |
| H21 | C2 | H22 | 100.4° | 109.4° |
| O18 | C3 | H31 | 106.2° | 109.5° |
| O18 | C3 | H32 | 106.3° | 109.4° |
| C3 | O18 | C8 | 126.4° | 106.9° |
| H31 | C3 | H32 | 103.3° | 109.5° |
| O18 | C8 | C7 | 116.2° | 119.8° |
| O18 | C8 | C9 | 123.9° | 119.8° |
| C5 | C4 | C9 | 121.7° | 119.8° |
| C5 | C4 | H4 | 119.4° | 120.1° |
| C4 | C5 | N11 | 123.0° | 120.2° |
| C4 | C5 | C6 | 116.8° | 119.7° |
| C9 | C4 | H4 | 118.9° | 120.1° |
| C4 | C9 | C8 | 119.1° | 120.2° |
| C4 | C9 | H9 | 121.1° | 119.9° |
| N11 | C5 | C6 | 120.2° | 120.2° |
| C5 | N11 | O14 | 116.1° | 120.0° |
| C5 | N11 | O16 | 114.8° | 120.0° |
| C5 | C6 | C7 | 121.6° | 119.8° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| O14 | N11 | O16 | 129.1° | 120.0° |
| C7 | C6 | H6 | 118.5° | 120.1° |
| C6 | C7 | C8 | 120.9° | 120.1° |
| C6 | C7 | H7 | 119.5° | 119.9° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.4° |
| C8 | C9 | H9 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C1 | C2 | H11 | 125.3° | 120.0° |
| O17 | C1 | C2 | H12 | 125.3° | 119.9° |
| O17 | C1 | H11 | H12 | 116.6° | 120.0° |
| O17 | C1 | C2 | C3 | 55.4° | 180.0° |
| O17 | C1 | C2 | H21 | 179.3° | 60.0° |
| O17 | C1 | C2 | H22 | 69.8° | 60.0° |
| C2 | C1 | H11 | H12 | 116.6° | 120.0° |
| C2 | C1 | O17 | H17 | 180.0° | 180.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 115.5° | 120.0° |
| C1 | C2 | C3 | O18 | 92.4° | 180.0° |
| C1 | C2 | C3 | H31 | 142.3° | 59.9° |
| C1 | C2 | C3 | H32 | 32.8° | 60.0° |
| H11 | C1 | O17 | H17 | 54.8° | 59.9° |
| H11 | C1 | C2 | C3 | 69.8° | 60.0° |
| H11 | C1 | C2 | H21 | 55.4° | 180.0° |
| H11 | C1 | C2 | H22 | 164.9° | 60.0° |
| H12 | C1 | O17 | H17 | 54.7° | 60.1° |
| H12 | C1 | C2 | C3 | 179.2° | 60.1° |
| H12 | C1 | C2 | H21 | 54.0° | 60.0° |
| H12 | C1 | C2 | H22 | 55.5° | 179.9° |
| C3 | C2 | H21 | H22 | 115.6° | 119.9° |
| C2 | C3 | O18 | H31 | 125.2° | 120.1° |
| C2 | C3 | O18 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 111.6° | 119.9° |
| C2 | C3 | O18 | C8 | 177.2° | 180.0° |
| H21 | C2 | C3 | O18 | 32.8° | 59.9° |
| H21 | C2 | C3 | H31 | 92.5° | 179.9° |
| H21 | C2 | C3 | H32 | 158.0° | 60.1° |
| H22 | C2 | C3 | O18 | 142.3° | 60.0° |
| H22 | C2 | C3 | H31 | 17.1° | 60.1° |
| H22 | C2 | C3 | H32 | 92.5° | 180.0° |
| O18 | C3 | H31 | H32 | 111.6° | 120.0° |
| C3 | O18 | C8 | C7 | 166.9° | 0.2° |
| C3 | O18 | C8 | C9 | 13.2° | 180.0° |
| H31 | C3 | O18 | C8 | 57.6° | 59.9° |
| H32 | C3 | O18 | C8 | 52.0° | 60.0° |
| O18 | C8 | C9 | C4 | 179.9° | 180.0° |
| O18 | C8 | C7 | C6 | 179.2° | 179.8° |
| O18 | C8 | C7 | C9 | 179.9° | 179.8° |
| O18 | C8 | C7 | H7 | 0.8° | 0.2° |
| O18 | C8 | C9 | H9 | 0.1° | 0.0° |
| C5 | C4 | C9 | H4 | 180.0° | 180.0° |
| C4 | C5 | N11 | C6 | 179.2° | 180.0° |
| C4 | C5 | N11 | O14 | 0.6° | 180.0° |
| C4 | C5 | N11 | O16 | 179.7° | 0.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.2° |
| C4 | C5 | C6 | H6 | 179.7° | 179.9° |
| C5 | C4 | C9 | C8 | 0.6° | 0.0° |
| C5 | C4 | C9 | H9 | 179.4° | 180.0° |
| C9 | C4 | C5 | N11 | 179.7° | 180.0° |
| C9 | C4 | C5 | C6 | 0.5° | 0.0° |
| C4 | C9 | C8 | C7 | 0.0° | 0.2° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| H4 | C4 | C5 | N11 | 0.3° | 0.0° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C9 | C8 | 179.4° | 180.0° |
| H4 | C4 | C9 | H9 | 0.6° | 0.0° |
| C5 | N11 | O14 | O16 | 179.7° | 180.0° |
| N11 | C5 | C6 | C7 | 178.9° | 179.8° |
| N11 | C5 | C6 | H6 | 1.0° | 0.1° |
| C6 | C5 | N11 | O14 | 179.8° | 0.0° |
| C6 | C5 | N11 | O16 | 0.5° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.9° | 0.4° |
| C5 | C6 | C7 | H7 | 179.1° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.6° |
| C6 | C7 | C8 | C9 | 0.7° | 0.4° |
| H6 | C6 | C7 | C8 | 179.1° | 179.7° |
| H6 | C6 | C7 | H7 | 0.9° | 0.1° |
| C7 | C8 | C9 | H9 | 180.0° | 179.8° |
| H7 | C7 | C8 | C9 | 179.3° | 180.0° |
