A1CF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N11 | doub | 1.30Å | 1.36Å | Aromatic |
| C10 | N09 | sing | 1.35Å | 1.41Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C07 | sing | 1.34Å | 1.39Å | Aromatic |
| C01 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| N09 | C08 | sing | 1.37Å | 1.41Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.35Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C04 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | N05 | sing | 1.40Å | 1.43Å | |
| C06 | N05 | sing | 1.46Å | 1.47Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| N05 | H6 | sing | 0.97Å | 1.00Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C10 | N09 | 111.3° | 108.7° |
| C10 | N11 | C07 | 107.4° | 109.3° |
| N11 | C10 | H1 | 124.4° | 125.6° |
| C10 | N09 | C08 | 104.6° | 107.2° |
| N09 | C10 | H1 | 124.4° | 125.7° |
| C10 | N09 | H10 | 127.7° | 126.4° |
| C01 | C02 | C03 | 121.6° | 120.0° |
| C02 | C01 | C13 | 117.6° | 120.2° |
| C02 | C01 | H3 | 121.2° | 119.9° |
| C01 | C02 | H4 | 119.2° | 120.0° |
| C02 | C03 | C04 | 121.5° | 120.0° |
| C03 | C02 | H4 | 119.2° | 120.0° |
| C02 | C03 | H5 | 119.3° | 120.0° |
| N11 | C07 | C08 | 108.3° | 108.0° |
| N11 | C07 | C06 | 125.5° | 126.0° |
| C01 | C13 | C12 | 121.1° | 120.0° |
| C01 | C13 | H2 | 119.4° | 120.0° |
| C13 | C01 | H3 | 121.2° | 119.9° |
| N09 | C08 | C07 | 108.5° | 106.8° |
| N09 | C08 | H9 | 125.8° | 126.6° |
| C08 | N09 | H10 | 127.7° | 126.4° |
| C03 | C04 | C12 | 116.3° | 119.8° |
| C03 | C04 | N05 | 122.3° | 120.1° |
| C04 | C03 | H5 | 119.2° | 120.0° |
| C13 | C12 | C04 | 121.9° | 120.0° |
| C12 | C13 | H2 | 119.5° | 119.9° |
| C13 | C12 | H12 | 119.1° | 120.0° |
| C08 | C07 | C06 | 126.2° | 126.0° |
| C07 | C08 | H9 | 125.7° | 126.6° |
| C07 | C06 | N05 | 116.2° | 109.5° |
| C07 | C06 | H7 | 107.8° | 109.5° |
| C07 | C06 | H8 | 107.8° | 109.5° |
| C12 | C04 | N05 | 121.4° | 120.1° |
| C04 | C12 | H12 | 119.0° | 120.0° |
| C04 | N05 | C06 | 127.2° | 120.0° |
| C04 | N05 | H6 | 104.9° | 120.0° |
| C06 | N05 | H6 | 104.9° | 120.0° |
| N05 | C06 | H7 | 107.8° | 109.5° |
| N05 | C06 | H8 | 107.8° | 109.5° |
| H7 | C06 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | N09 | H1 | 180.0° | 179.8° |
| N11 | C10 | N09 | C08 | 0.0° | 0.0° |
| C10 | N11 | C07 | C08 | 0.0° | 0.0° |
| C10 | N11 | C07 | C06 | 180.0° | 180.0° |
| N11 | C10 | N09 | H10 | 179.9° | 180.0° |
| N09 | C10 | N11 | C07 | 0.0° | 0.0° |
| C10 | N09 | C08 | H10 | 180.0° | 180.0° |
| C10 | N09 | C08 | C07 | 0.0° | 0.0° |
| C10 | N09 | C08 | H9 | 180.0° | 180.0° |
| C01 | C02 | C03 | H4 | 180.0° | 179.9° |
| C02 | C01 | C13 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C02 | C01 | C13 | C12 | 0.0° | 0.1° |
| C02 | C01 | C13 | H2 | 180.0° | 179.7° |
| C01 | C02 | C03 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | C13 | 0.0° | 0.1° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C12 | 0.0° | 0.0° |
| C02 | C03 | C04 | N05 | 180.0° | 180.0° |
| C03 | C02 | C01 | H3 | 180.0° | 180.0° |
| N11 | C07 | C08 | N09 | 0.0° | 0.0° |
| N11 | C07 | C08 | C06 | 180.0° | 179.9° |
| N11 | C07 | C06 | N05 | 131.5° | 85.0° |
| C07 | N11 | C10 | H1 | 179.9° | 179.8° |
| N11 | C07 | C06 | H7 | 107.5° | 154.9° |
| N11 | C07 | C06 | H8 | 10.5° | 34.9° |
| N11 | C07 | C08 | H9 | 180.0° | 180.0° |
| C01 | C13 | C12 | H2 | 180.0° | 179.7° |
| C01 | C13 | C12 | C04 | 0.0° | 0.0° |
| C13 | C01 | C02 | H4 | 180.0° | 180.0° |
| C01 | C13 | C12 | H12 | 180.0° | 179.7° |
| N09 | C08 | C07 | H9 | 180.0° | 180.0° |
| N09 | C08 | C07 | C06 | 180.0° | 180.0° |
| C08 | N09 | C10 | H1 | 179.9° | 179.8° |
| C03 | C04 | C12 | C13 | 0.0° | 0.0° |
| C03 | C04 | C12 | N05 | 180.0° | 180.0° |
| C03 | C04 | N05 | C06 | 109.1° | 180.0° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C03 | C04 | N05 | H6 | 128.5° | 0.0° |
| C03 | C04 | C12 | H12 | 180.0° | 179.7° |
| C13 | C12 | C04 | H12 | 180.0° | 179.8° |
| C13 | C12 | C04 | N05 | 180.0° | 180.0° |
| C12 | C13 | C01 | H3 | 180.0° | 179.9° |
| C08 | C07 | C06 | N05 | 48.5° | 95.0° |
| C08 | C07 | C06 | H7 | 72.5° | 25.0° |
| C08 | C07 | C06 | H8 | 169.5° | 145.0° |
| C07 | C08 | N09 | H10 | 180.0° | 180.0° |
| C07 | C06 | N05 | C04 | 98.5° | 180.0° |
| C07 | C06 | N05 | H7 | 121.0° | 120.0° |
| C07 | C06 | N05 | H8 | 121.0° | 120.0° |
| C07 | C06 | N05 | H6 | 139.2° | 0.0° |
| C07 | C06 | H7 | H8 | 117.0° | 120.0° |
| C06 | C07 | C08 | H9 | 0.0° | 0.1° |
| C12 | C04 | N05 | C06 | 70.9° | 0.0° |
| C04 | C12 | C13 | H2 | 180.0° | 179.7° |
| C12 | C04 | C03 | H5 | 180.0° | 180.0° |
| C12 | C04 | N05 | H6 | 51.4° | 180.0° |
| C04 | N05 | C06 | H6 | 122.3° | 180.0° |
| N05 | C04 | C03 | H5 | 0.0° | 0.0° |
| C04 | N05 | C06 | H7 | 140.5° | 60.0° |
| C04 | N05 | C06 | H8 | 22.5° | 60.0° |
| N05 | C04 | C12 | H12 | 0.0° | 0.2° |
| N05 | C06 | H7 | H8 | 116.9° | 120.0° |
| H1 | C10 | N09 | H10 | 0.1° | 0.2° |
| H2 | C13 | C01 | H3 | 0.0° | 0.4° |
| H2 | C13 | C12 | H12 | 0.0° | 0.1° |
| H3 | C01 | C02 | H4 | 0.0° | 0.1° |
| H4 | C02 | C03 | H5 | 0.0° | 0.0° |
| H6 | N05 | C06 | H7 | 18.2° | 120.0° |
| H6 | N05 | C06 | H8 | 99.8° | 120.0° |
| H9 | C08 | N09 | H10 | 0.1° | 0.0° |
