EYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.46Å | 1.45Å | |
| N2 | C13 | sing | 1.32Å | 1.29Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.44Å | Aromatic |
| N1 | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.50Å | Aromatic |
| C14 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.34Å | 1.31Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.59Å | Aromatic |
| C2 | C12 | sing | 1.46Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.60Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| N | O1 | sing | 1.42Å | 1.42Å | |
| C | O | doub | 1.21Å | 1.28Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 116.4° | 120.0° |
| C9 | C10 | C5 | 125.0° | 120.0° |
| C9 | C10 | H7 | 117.5° | 120.0° |
| C10 | C9 | H8 | 121.8° | 120.0° |
| C9 | C8 | C7 | 119.2° | 120.0° |
| C9 | C8 | H4 | 120.4° | 120.0° |
| C8 | C9 | H8 | 121.8° | 120.0° |
| C10 | C5 | C4 | 120.8° | 120.0° |
| C10 | C5 | C6 | 119.4° | 120.0° |
| C5 | C10 | H7 | 117.5° | 120.0° |
| C8 | C7 | C6 | 124.6° | 120.0° |
| C7 | C8 | H4 | 120.4° | 120.0° |
| C8 | C7 | H9 | 117.7° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | N1 | 123.8° | 109.4° |
| C5 | C4 | H1 | 105.8° | 109.4° |
| C5 | C4 | H2 | 105.8° | 109.4° |
| C5 | C6 | C7 | 115.4° | 120.0° |
| C5 | C6 | H3 | 122.3° | 120.0° |
| C4 | N1 | C3 | 118.8° | 125.0° |
| C4 | N1 | C11 | 134.6° | 125.0° |
| N1 | C4 | H1 | 105.7° | 109.5° |
| N1 | C4 | H2 | 105.8° | 109.5° |
| C13 | N2 | C3 | 120.5° | 122.1° |
| N2 | C13 | C14 | 122.6° | 121.8° |
| N2 | C13 | H11 | 118.7° | 119.1° |
| N2 | C3 | N1 | 123.6° | 133.2° |
| N2 | C3 | C2 | 122.7° | 119.9° |
| C13 | C14 | C1 | 129.2° | 119.2° |
| C13 | C14 | H10 | 115.4° | 120.4° |
| C14 | C13 | H11 | 118.7° | 119.1° |
| C7 | C6 | H3 | 122.3° | 120.0° |
| C6 | C7 | H9 | 117.7° | 120.0° |
| C3 | N1 | C11 | 105.2° | 110.0° |
| N1 | C3 | C2 | 113.5° | 106.9° |
| N1 | C11 | C12 | 104.7° | 109.9° |
| N1 | C11 | H5 | 127.6° | 125.0° |
| C3 | C2 | C1 | 115.2° | 119.3° |
| C3 | C2 | C12 | 91.8° | 106.3° |
| C14 | C1 | C2 | 109.1° | 117.7° |
| C14 | C1 | C | 98.7° | 121.1° |
| C1 | C14 | H10 | 115.4° | 120.4° |
| C11 | C12 | C2 | 118.5° | 106.9° |
| C12 | C11 | H5 | 127.6° | 125.1° |
| C11 | C12 | H12 | 120.7° | 126.5° |
| C1 | C2 | C12 | 147.1° | 134.4° |
| C2 | C1 | C | 150.9° | 121.1° |
| C2 | C12 | H12 | 120.7° | 126.5° |
| C1 | C | N | 116.1° | 120.0° |
| C1 | C | O | 133.7° | 120.0° |
| C | N | O1 | 127.2° | 120.0° |
| N | C | O | 110.0° | 120.1° |
| C | N | H14 | 116.4° | 120.0° |
| O1 | N | H14 | 116.4° | 120.0° |
| N | O1 | H15 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H8 | 180.0° | 179.7° |
| C9 | C10 | C5 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.4° | 0.3° |
| C9 | C10 | C5 | C4 | 177.5° | 180.0° |
| C9 | C10 | C5 | C6 | 1.0° | 0.0° |
| C10 | C9 | C8 | H4 | 179.6° | 179.7° |
| C8 | C9 | C10 | C5 | 0.2° | 0.3° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.7° | 0.1° |
| C8 | C9 | C10 | H7 | 179.8° | 179.8° |
| C9 | C8 | C7 | H9 | 179.3° | 180.0° |
| C10 | C5 | C4 | C6 | 176.4° | 180.0° |
| C10 | C5 | C4 | N1 | 175.0° | 90.0° |
| C10 | C5 | C6 | C7 | 1.9° | 0.3° |
| C10 | C5 | C4 | H1 | 53.0° | 30.0° |
| C10 | C5 | C4 | H2 | 63.1° | 150.0° |
| C10 | C5 | C6 | H3 | 178.1° | 180.0° |
| C5 | C10 | C9 | H8 | 179.8° | 180.0° |
| C8 | C7 | C6 | C5 | 1.8° | 0.4° |
| C8 | C7 | C6 | H9 | 180.0° | 179.9° |
| C8 | C7 | C6 | H3 | 178.1° | 179.9° |
| C7 | C8 | C9 | H8 | 179.6° | 179.9° |
| C5 | C4 | N1 | H1 | 122.0° | 120.0° |
| C5 | C4 | N1 | H2 | 122.0° | 120.0° |
| C4 | C5 | C6 | C7 | 178.4° | 179.7° |
| C5 | C4 | N1 | C3 | 82.3° | 85.0° |
| C5 | C4 | N1 | C11 | 113.8° | 95.9° |
| C5 | C4 | H1 | H2 | 113.6° | 119.9° |
| C4 | C5 | C6 | H3 | 1.6° | 0.0° |
| C4 | C5 | C10 | H7 | 2.5° | 0.1° |
| C6 | C5 | C4 | N1 | 8.6° | 90.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.7° |
| C6 | C5 | C4 | H1 | 130.5° | 150.0° |
| C6 | C5 | C4 | H2 | 113.4° | 30.0° |
| C6 | C5 | C10 | H7 | 179.0° | 179.9° |
| C5 | C6 | C7 | H9 | 178.1° | 179.7° |
| C4 | N1 | C3 | N2 | 12.4° | 0.1° |
| C4 | N1 | C3 | C11 | 168.2° | 179.2° |
| C4 | N1 | C3 | C2 | 173.5° | 179.4° |
| C4 | N1 | C11 | C12 | 155.2° | 179.6° |
| N1 | C4 | H1 | H2 | 113.5° | 120.1° |
| C4 | N1 | C11 | H5 | 24.9° | 0.9° |
| N2 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | N2 | C3 | N1 | 178.1° | 179.9° |
| C13 | N2 | C3 | C2 | 4.5° | 0.7° |
| N2 | C13 | C14 | C1 | 4.5° | 0.0° |
| N2 | C13 | C14 | H10 | 175.5° | 179.9° |
| C3 | N2 | C13 | C14 | 1.9° | 0.4° |
| N2 | C3 | N1 | C2 | 174.1° | 179.5° |
| N2 | C3 | N1 | C11 | 179.4° | 179.3° |
| N2 | C3 | C2 | C1 | 8.4° | 0.6° |
| N2 | C3 | C2 | C12 | 168.8° | 179.6° |
| C3 | N2 | C13 | H11 | 178.1° | 179.7° |
| C13 | C14 | C1 | H10 | 180.0° | 180.0° |
| C13 | C14 | C1 | C2 | 7.9° | 0.0° |
| C13 | C14 | C1 | C | 179.0° | 180.0° |
| C6 | C7 | C8 | H4 | 179.3° | 179.9° |
| C3 | N1 | C11 | C12 | 10.3° | 0.4° |
| N1 | C3 | C2 | C1 | 177.5° | 179.8° |
| N1 | C3 | C2 | C12 | 17.0° | 0.1° |
| C3 | N1 | C4 | H1 | 39.7° | 155.0° |
| C3 | N1 | C4 | H2 | 155.8° | 34.9° |
| C3 | N1 | C11 | H5 | 169.7° | 180.0° |
| C11 | N1 | C3 | C2 | 5.2° | 0.2° |
| N1 | C11 | C12 | H5 | 180.0° | 179.5° |
| N1 | C11 | C12 | C2 | 25.5° | 0.4° |
| C11 | N1 | C4 | H1 | 124.2° | 24.1° |
| C11 | N1 | C4 | H2 | 8.2° | 144.1° |
| N1 | C11 | C12 | H12 | 154.5° | 179.6° |
| C3 | C2 | C1 | C14 | 9.0° | 0.3° |
| C3 | C2 | C12 | C11 | 25.7° | 0.3° |
| C3 | C2 | C1 | C12 | 142.1° | 179.7° |
| C3 | C2 | C1 | C | 170.7° | 179.7° |
| C3 | C2 | C12 | H12 | 154.3° | 179.7° |
| C14 | C1 | C2 | C | 161.7° | 180.0° |
| C14 | C1 | C2 | C12 | 151.1° | 180.0° |
| C14 | C1 | C | N | 7.6° | 0.0° |
| C14 | C1 | C | O | 168.0° | 180.0° |
| C1 | C14 | C13 | H11 | 175.5° | 180.0° |
| C11 | C12 | C2 | C1 | 171.8° | 180.0° |
| C11 | C12 | C2 | H12 | 180.0° | 180.0° |
| C2 | C1 | C | N | 154.9° | 180.0° |
| C2 | C1 | C | O | 29.5° | 0.0° |
| C2 | C1 | C14 | H10 | 172.1° | 180.0° |
| C1 | C2 | C12 | H12 | 8.1° | 0.0° |
| C12 | C2 | C1 | C | 47.2° | 0.0° |
| C2 | C12 | C11 | H5 | 154.5° | 180.0° |
| C1 | C | N | O | 176.6° | 180.0° |
| C1 | C | N | O1 | 169.7° | 180.0° |
| C | C1 | C14 | H10 | 1.0° | 0.0° |
| C1 | C | N | H14 | 10.2° | 0.0° |
| C | N | O1 | H14 | 180.0° | 180.0° |
| C | N | O1 | H15 | 3.8° | 180.0° |
| O1 | N | C | O | 6.9° | 0.0° |
| O | C | N | H14 | 173.2° | 180.0° |
| H3 | C6 | C7 | H9 | 1.9° | 0.0° |
| H4 | C8 | C9 | H8 | 0.4° | 0.1° |
| H4 | C8 | C7 | H9 | 0.7° | 0.0° |
| H5 | C11 | C12 | H12 | 25.5° | 0.1° |
| H7 | C10 | C9 | H8 | 0.2° | 0.1° |
| H10 | C14 | C13 | H11 | 4.5° | 0.0° |
| H14 | N | O1 | H15 | 176.2° | 0.0° |
