A1ENC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.46Å | |
| C6 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | O1 | sing | 1.35Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | O1 | sing | 1.34Å | 1.37Å | Aromatic |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 107.2° | 106.7° |
| C9 | C10 | C11 | 106.0° | 107.0° |
| C9 | C10 | H6 | 127.0° | 126.5° |
| C10 | C9 | H13 | 126.4° | 126.6° |
| C9 | C8 | C6 | 131.6° | 125.9° |
| C9 | C8 | O1 | 110.0° | 108.1° |
| C8 | C9 | H13 | 126.4° | 126.7° |
| C5 | C4 | C3 | 120.4° | 118.6° |
| C4 | C5 | C6 | 118.4° | 119.0° |
| C5 | C4 | H3 | 119.8° | 120.7° |
| C4 | C5 | H4 | 120.8° | 120.5° |
| C4 | C3 | C2 | 122.7° | 120.3° |
| C4 | C3 | C7 | 117.2° | 119.4° |
| C3 | C4 | H3 | 119.8° | 120.7° |
| C5 | C6 | C8 | 121.6° | 119.7° |
| C5 | C6 | N2 | 121.9° | 120.5° |
| C6 | C5 | H4 | 120.8° | 120.5° |
| C10 | C11 | O1 | 109.8° | 108.7° |
| C11 | C10 | H6 | 127.0° | 126.5° |
| C10 | C11 | H10 | 125.1° | 125.7° |
| C2 | C3 | C7 | 120.1° | 120.3° |
| C3 | C2 | N1 | 111.0° | 109.4° |
| C3 | C2 | H11 | 109.1° | 109.5° |
| C3 | C2 | H12 | 109.1° | 109.5° |
| C3 | C7 | N2 | 123.9° | 120.9° |
| C3 | C7 | H5 | 118.0° | 119.5° |
| C8 | C6 | N2 | 116.5° | 119.8° |
| C6 | C8 | O1 | 118.4° | 126.0° |
| C6 | N2 | C7 | 118.2° | 121.6° |
| C8 | O1 | C11 | 107.0° | 109.4° |
| C2 | N1 | C1 | 114.0° | 110.9° |
| C2 | N1 | H1 | 108.3° | 111.0° |
| N1 | C2 | H11 | 109.1° | 109.5° |
| N1 | C2 | H12 | 109.1° | 109.4° |
| N2 | C7 | H5 | 118.1° | 119.6° |
| O1 | C11 | H10 | 125.1° | 125.6° |
| C1 | N1 | H1 | 108.3° | 111.0° |
| N1 | C1 | H7 | 109.5° | 109.4° |
| N1 | C1 | H8 | 109.5° | 109.4° |
| N1 | C1 | H9 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.4° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H13 | 180.0° | 180.0° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | C6 | 179.9° | 180.0° |
| C10 | C9 | C8 | O1 | 0.2° | 0.2° |
| C9 | C10 | C11 | O1 | 0.3° | 0.0° |
| C9 | C10 | C11 | H10 | 179.7° | 180.0° |
| C9 | C8 | C6 | C5 | 4.7° | 179.7° |
| C8 | C9 | C10 | C11 | 0.3° | 0.1° |
| C9 | C8 | C6 | O1 | 179.7° | 179.7° |
| C9 | C8 | C6 | N2 | 174.5° | 0.3° |
| C9 | C8 | O1 | C11 | 0.0° | 0.2° |
| C8 | C9 | C10 | H6 | 179.7° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 178.1° | 180.0° |
| C5 | C4 | C3 | C7 | 1.0° | 0.0° |
| C4 | C5 | C6 | C8 | 179.5° | 180.0° |
| C4 | C5 | C6 | N2 | 0.3° | 0.1° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C4 | C3 | C2 | C7 | 177.1° | 180.0° |
| C4 | C3 | C2 | N1 | 97.6° | 90.0° |
| C4 | C3 | C7 | N2 | 1.1° | 0.0° |
| C3 | C4 | C5 | H4 | 179.4° | 180.0° |
| C4 | C3 | C7 | H5 | 178.9° | 180.0° |
| C4 | C3 | C2 | H11 | 142.2° | 30.0° |
| C4 | C3 | C2 | H12 | 22.7° | 150.1° |
| C5 | C6 | C8 | N2 | 179.2° | 180.0° |
| C5 | C6 | C8 | O1 | 175.0° | 0.0° |
| C5 | C6 | N2 | C7 | 0.4° | 0.0° |
| C6 | C5 | C4 | H3 | 179.4° | 179.7° |
| C10 | C11 | O1 | C8 | 0.2° | 0.1° |
| C10 | C11 | O1 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | H13 | 179.7° | 179.8° |
| C3 | C2 | N1 | H11 | 120.2° | 120.0° |
| C3 | C2 | N1 | H12 | 120.2° | 119.9° |
| C2 | C3 | C7 | N2 | 178.3° | 180.0° |
| C3 | C2 | N1 | C1 | 149.2° | 180.0° |
| C3 | C2 | N1 | H1 | 90.1° | 56.1° |
| C2 | C3 | C4 | H3 | 1.8° | 0.2° |
| C2 | C3 | C7 | H5 | 1.7° | 0.0° |
| C3 | C2 | H11 | H12 | 119.3° | 120.0° |
| C3 | C7 | N2 | C6 | 0.8° | 0.0° |
| C7 | C3 | C2 | N1 | 79.5° | 90.0° |
| C3 | C7 | N2 | H5 | 180.0° | 179.9° |
| C7 | C3 | C4 | H3 | 179.0° | 179.8° |
| C7 | C3 | C2 | H11 | 40.7° | 150.0° |
| C7 | C3 | C2 | H12 | 160.2° | 29.9° |
| C8 | C6 | N2 | C7 | 179.6° | 180.0° |
| C6 | C8 | O1 | C11 | 179.7° | 180.0° |
| C8 | C6 | C5 | H4 | 0.5° | 0.0° |
| C6 | C8 | C9 | H13 | 0.1° | 0.0° |
| N2 | C6 | C8 | O1 | 5.8° | 180.0° |
| N2 | C6 | C5 | H4 | 179.7° | 180.0° |
| C6 | N2 | C7 | H5 | 179.2° | 180.0° |
| C8 | O1 | C11 | H10 | 179.8° | 179.9° |
| O1 | C8 | C9 | H13 | 179.8° | 179.7° |
| C2 | N1 | C1 | H1 | 120.7° | 123.9° |
| C2 | N1 | C1 | H7 | 180.0° | 180.0° |
| C2 | N1 | C1 | H8 | 60.0° | 60.1° |
| C2 | N1 | C1 | H9 | 60.0° | 60.0° |
| N1 | C2 | H11 | H12 | 119.4° | 120.0° |
| O1 | C11 | C10 | H6 | 179.7° | 180.0° |
| N1 | C1 | H7 | H8 | 120.0° | 119.9° |
| N1 | C1 | H7 | H9 | 120.0° | 120.0° |
| N1 | C1 | H8 | H9 | 120.0° | 120.1° |
| C1 | N1 | C2 | H11 | 29.0° | 60.0° |
| C1 | N1 | C2 | H12 | 90.6° | 60.1° |
| H1 | N1 | C1 | H7 | 59.4° | 56.2° |
| H1 | N1 | C1 | H8 | 179.3° | 176.0° |
| H1 | N1 | C1 | H9 | 60.7° | 63.9° |
| H1 | N1 | C2 | H11 | 149.7° | 63.9° |
| H1 | N1 | C2 | H12 | 30.1° | 176.1° |
| H3 | C4 | C5 | H4 | 0.7° | 0.2° |
| H6 | C10 | C11 | H10 | 0.3° | 0.1° |
| H6 | C10 | C9 | H13 | 0.3° | 0.1° |
| H7 | C1 | H8 | H9 | 120.0° | 120.1° |
