A1CFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| N10 | C08 | sing | 1.35Å | 1.41Å | |
| C08 | O09 | doub | 1.22Å | 1.22Å | |
| C08 | C07 | sing | 1.47Å | 1.44Å | |
| O12 | C07 | sing | 1.35Å | 1.35Å | Aromatic |
| O12 | C04 | sing | 1.34Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.37Å | 1.40Å | Aromatic |
| N02 | C03 | sing | 1.47Å | 1.51Å | |
| N02 | C01 | sing | 1.47Å | 1.49Å | |
| C04 | C03 | sing | 1.51Å | 1.50Å | |
| C04 | C05 | doub | 1.35Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 1.01Å | 1.00Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C08 | 122.6° | 120.0° |
| C11 | N10 | H10 | 118.7° | 120.0° |
| N10 | C11 | H11 | 109.5° | 109.5° |
| N10 | C11 | H12 | 109.5° | 109.5° |
| N10 | C11 | H13 | 109.5° | 109.5° |
| N10 | C08 | O09 | 118.7° | 120.0° |
| N10 | C08 | C07 | 122.0° | 119.9° |
| C08 | N10 | H10 | 118.7° | 120.0° |
| O09 | C08 | C07 | 119.3° | 120.0° |
| C08 | C07 | O12 | 121.5° | 126.0° |
| C08 | C07 | C06 | 129.9° | 125.9° |
| C07 | O12 | C04 | 109.8° | 109.4° |
| O12 | C07 | C06 | 108.6° | 108.0° |
| O12 | C04 | C03 | 121.3° | 125.6° |
| O12 | C04 | C05 | 107.6° | 108.8° |
| C07 | C06 | C05 | 106.6° | 106.7° |
| C07 | C06 | H9 | 126.7° | 126.6° |
| C03 | N02 | C01 | 111.9° | 111.0° |
| N02 | C03 | C04 | 112.9° | 109.5° |
| C03 | N02 | H4 | 108.8° | 111.0° |
| N02 | C03 | H6 | 108.6° | 109.5° |
| N02 | C03 | H7 | 108.6° | 109.5° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C01 | N02 | H4 | 108.8° | 111.0° |
| C03 | C04 | C05 | 130.9° | 125.6° |
| C04 | C03 | H6 | 108.6° | 109.4° |
| C04 | C03 | H7 | 108.6° | 109.4° |
| C04 | C05 | C06 | 107.3° | 107.1° |
| C04 | C05 | H8 | 126.3° | 126.5° |
| C06 | C05 | H8 | 126.4° | 126.4° |
| C05 | C06 | H9 | 126.7° | 126.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N10 | C08 | H10 | 180.0° | 180.0° |
| C11 | N10 | C08 | O09 | 2.7° | 0.0° |
| C11 | N10 | C08 | C07 | 179.1° | 180.0° |
| N10 | C11 | H11 | H12 | 120.0° | 120.0° |
| N10 | C11 | H11 | H13 | 120.0° | 120.0° |
| N10 | C11 | H12 | H13 | 120.0° | 120.0° |
| N10 | C08 | O09 | C07 | 178.3° | 180.0° |
| N10 | C08 | C07 | O12 | 5.2° | 0.2° |
| N10 | C08 | C07 | C06 | 174.0° | 180.0° |
| C08 | N10 | C11 | H11 | 180.0° | 60.0° |
| C08 | N10 | C11 | H12 | 60.0° | 60.0° |
| C08 | N10 | C11 | H13 | 60.0° | 180.0° |
| O09 | C08 | C07 | O12 | 173.0° | 179.7° |
| O09 | C08 | C07 | C06 | 7.7° | 0.1° |
| O09 | C08 | N10 | H10 | 177.3° | 180.0° |
| C08 | C07 | O12 | C06 | 179.4° | 179.8° |
| C08 | C07 | O12 | C04 | 178.8° | 179.8° |
| C08 | C07 | C06 | C05 | 179.1° | 180.0° |
| C08 | C07 | C06 | H9 | 0.9° | 0.0° |
| C07 | C08 | N10 | H10 | 0.9° | 0.1° |
| C07 | O12 | C04 | C03 | 177.5° | 179.8° |
| C07 | O12 | C04 | C05 | 2.6° | 0.4° |
| O12 | C07 | C06 | C05 | 1.6° | 0.2° |
| O12 | C07 | C06 | H9 | 178.4° | 179.8° |
| C04 | O12 | C07 | C06 | 0.6° | 0.4° |
| O12 | C04 | C03 | N02 | 52.3° | 90.3° |
| O12 | C04 | C03 | C05 | 173.6° | 179.8° |
| O12 | C04 | C05 | C06 | 3.5° | 0.2° |
| O12 | C04 | C03 | H6 | 68.2° | 149.7° |
| O12 | C04 | C03 | H7 | 172.8° | 29.8° |
| O12 | C04 | C05 | H8 | 176.5° | 179.8° |
| C07 | C06 | C05 | C04 | 3.1° | 0.0° |
| C07 | C06 | C05 | H9 | 180.0° | 180.0° |
| C07 | C06 | C05 | H8 | 176.8° | 180.0° |
| C03 | N02 | C01 | H4 | 120.3° | 124.0° |
| N02 | C03 | C04 | H6 | 120.5° | 120.0° |
| N02 | C03 | C04 | H7 | 120.5° | 120.0° |
| N02 | C03 | C04 | C05 | 121.3° | 90.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 180.0° |
| N02 | C03 | H6 | H7 | 118.4° | 120.0° |
| C01 | N02 | C03 | C04 | 65.6° | 180.0° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H6 | 173.9° | 60.0° |
| C01 | N02 | C03 | H7 | 54.9° | 60.0° |
| C03 | C04 | C05 | C06 | 177.7° | 179.9° |
| C04 | C03 | N02 | H4 | 174.0° | 56.0° |
| C04 | C03 | H6 | H7 | 118.4° | 120.0° |
| C03 | C04 | C05 | H8 | 2.3° | 0.0° |
| C04 | C05 | C06 | H8 | 180.0° | 179.9° |
| C05 | C04 | C03 | H6 | 118.2° | 30.1° |
| C05 | C04 | C03 | H7 | 0.8° | 150.0° |
| C04 | C05 | C06 | H9 | 176.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | N02 | H4 | 59.6° | 176.1° |
| H2 | C01 | N02 | H4 | 179.7° | 64.0° |
| H3 | C01 | N02 | H4 | 60.3° | 56.0° |
| H4 | N02 | C03 | H6 | 53.5° | 63.9° |
| H4 | N02 | C03 | H7 | 65.5° | 176.0° |
| H8 | C05 | C06 | H9 | 3.1° | 0.0° |
| H10 | N10 | C11 | H11 | 0.0° | 120.0° |
| H10 | N10 | C11 | H12 | 120.0° | 120.0° |
| H10 | N10 | C11 | H13 | 120.0° | 0.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
