A1CFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.79Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C08 | sing | 1.48Å | 1.55Å | |
| O18 | C08 | doub | 1.22Å | 1.18Å | |
| C08 | N09 | sing | 1.35Å | 1.46Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | doub | 1.31Å | 1.32Å | |
| O15 | P14 | doub | 1.48Å | 1.50Å | |
| N09 | C11 | sing | 1.47Å | 1.46Å | |
| N09 | O10 | sing | 1.42Å | 1.40Å | |
| C13 | P14 | sing | 1.81Å | 1.87Å | |
| P14 | O16 | sing | 1.61Å | 1.50Å | |
| P14 | O17 | sing | 1.61Å | 1.51Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| O10 | H11 | sing | 0.97Å | 0.95Å | |
| O16 | H12 | sing | 0.97Å | 0.95Å | |
| O17 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C03 | 120.0° | 119.9° |
| CL01 | C02 | C07 | 120.0° | 119.8° |
| C02 | C03 | C04 | 119.9° | 120.2° |
| C03 | C02 | C07 | 120.1° | 120.3° |
| C02 | C03 | H3 | 120.0° | 119.9° |
| C03 | C04 | C05 | 120.3° | 119.8° |
| C04 | C03 | H3 | 120.0° | 119.9° |
| C03 | C04 | H4 | 119.8° | 120.1° |
| C02 | C07 | C06 | 119.8° | 120.1° |
| C02 | C07 | H6 | 120.1° | 119.9° |
| C04 | C05 | C06 | 119.5° | 119.8° |
| C04 | C05 | C08 | 119.7° | 120.2° |
| C05 | C04 | H4 | 119.9° | 120.0° |
| C07 | C06 | C05 | 120.4° | 119.9° |
| C07 | C06 | H5 | 119.8° | 120.0° |
| C06 | C07 | H6 | 120.1° | 119.9° |
| C06 | C05 | C08 | 120.8° | 120.1° |
| C05 | C06 | H5 | 119.8° | 120.1° |
| C05 | C08 | O18 | 117.9° | 120.0° |
| C05 | C08 | N09 | 123.8° | 120.0° |
| O18 | C08 | N09 | 118.3° | 120.0° |
| C08 | N09 | C11 | 122.5° | 120.0° |
| C08 | N09 | O10 | 119.0° | 120.0° |
| C11 | C12 | C13 | 112.7° | 120.0° |
| C12 | C11 | N09 | 109.9° | 109.5° |
| C12 | C11 | H7 | 109.3° | 109.5° |
| C12 | C11 | H8 | 109.4° | 109.5° |
| C11 | C12 | H9 | 123.6° | 120.1° |
| C12 | C13 | P14 | 151.3° | 120.0° |
| C12 | C13 | H1 | 104.3° | 120.0° |
| C13 | C12 | H9 | 123.6° | 120.0° |
| O15 | P14 | C13 | 113.6° | 109.5° |
| O15 | P14 | O16 | 110.5° | 109.5° |
| O15 | P14 | O17 | 112.6° | 109.5° |
| C11 | N09 | O10 | 118.5° | 120.0° |
| N09 | C11 | H7 | 109.4° | 109.5° |
| N09 | C11 | H8 | 109.3° | 109.4° |
| N09 | O10 | H11 | 109.5° | 114.0° |
| C13 | P14 | O16 | 108.5° | 109.5° |
| C13 | P14 | O17 | 100.6° | 109.5° |
| P14 | C13 | H1 | 104.4° | 120.0° |
| O16 | P14 | O17 | 110.6° | 109.5° |
| P14 | O16 | H12 | 109.5° | 114.1° |
| P14 | O17 | H13 | 109.5° | 114.0° |
| H7 | C11 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C03 | C07 | 179.9° | 179.7° |
| CL01 | C02 | C03 | C04 | 179.9° | 179.7° |
| CL01 | C02 | C07 | C06 | 179.8° | 179.7° |
| CL01 | C02 | C03 | H3 | 0.1° | 0.4° |
| CL01 | C02 | C07 | H6 | 0.2° | 0.3° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C07 | C06 | 0.3° | 0.1° |
| C02 | C03 | C04 | H4 | 179.9° | 179.9° |
| C03 | C02 | C07 | H6 | 179.7° | 180.0° |
| C04 | C03 | C02 | C07 | 0.0° | 0.1° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C03 | C04 | C05 | C08 | 179.1° | 180.0° |
| C02 | C07 | C06 | H6 | 180.0° | 179.9° |
| C02 | C07 | C06 | C05 | 0.8° | 0.1° |
| C07 | C02 | C03 | H3 | 180.0° | 180.0° |
| C02 | C07 | C06 | H5 | 179.2° | 179.9° |
| C04 | C05 | C06 | C07 | 0.9° | 0.0° |
| C04 | C05 | C06 | C08 | 178.5° | 180.0° |
| C04 | C05 | C08 | O18 | 61.2° | 8.5° |
| C04 | C05 | C08 | N09 | 119.6° | 171.5° |
| C05 | C04 | C03 | H3 | 179.9° | 180.0° |
| C04 | C05 | C06 | H5 | 179.1° | 180.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | C08 | 179.4° | 180.0° |
| C06 | C05 | C08 | O18 | 117.3° | 171.6° |
| C06 | C05 | C08 | N09 | 61.9° | 8.4° |
| C06 | C05 | C04 | H4 | 179.4° | 179.9° |
| C05 | C06 | C07 | H6 | 179.3° | 180.0° |
| C05 | C08 | O18 | N09 | 179.2° | 180.0° |
| C05 | C08 | N09 | C11 | 0.6° | 174.0° |
| C05 | C08 | N09 | O10 | 179.4° | 6.0° |
| C08 | C05 | C04 | H4 | 0.8° | 0.0° |
| C08 | C05 | C06 | H5 | 0.5° | 0.0° |
| O18 | C08 | N09 | C11 | 179.7° | 6.1° |
| O18 | C08 | N09 | O10 | 0.2° | 174.0° |
| C08 | N09 | C11 | C12 | 74.3° | 75.0° |
| C08 | N09 | C11 | O10 | 180.0° | 180.0° |
| C08 | N09 | C11 | H7 | 165.6° | 45.0° |
| C08 | N09 | C11 | H8 | 45.8° | 165.0° |
| C08 | N09 | O10 | H11 | 0.1° | 180.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C12 | C11 | N09 | H7 | 120.1° | 120.0° |
| C12 | C11 | N09 | H8 | 120.1° | 120.0° |
| C12 | C11 | N09 | O10 | 105.7° | 105.0° |
| C11 | C12 | C13 | P14 | 178.8° | 180.0° |
| C11 | C12 | C13 | H1 | 1.2° | 0.4° |
| C12 | C11 | H7 | H8 | 119.8° | 120.1° |
| C12 | C13 | P14 | O15 | 75.6° | 120.3° |
| C13 | C12 | C11 | N09 | 72.4° | 125.0° |
| C12 | C13 | P14 | H1 | 180.0° | 179.7° |
| C12 | C13 | P14 | O16 | 47.7° | 0.3° |
| C12 | C13 | P14 | O17 | 163.8° | 119.7° |
| C13 | C12 | C11 | H7 | 47.7° | 115.0° |
| C13 | C12 | C11 | H8 | 167.6° | 5.1° |
| O15 | P14 | C13 | O16 | 123.3° | 120.0° |
| O15 | P14 | C13 | O17 | 120.6° | 120.0° |
| O15 | P14 | O16 | O17 | 125.4° | 120.0° |
| O15 | P14 | C13 | H1 | 104.4° | 60.0° |
| O15 | P14 | O16 | H12 | 0.0° | 180.0° |
| O15 | P14 | O17 | H13 | 0.0° | 60.0° |
| N09 | C11 | H7 | H8 | 119.8° | 120.0° |
| N09 | C11 | C12 | H9 | 107.6° | 55.1° |
| C11 | N09 | O10 | H11 | 179.8° | 0.0° |
| O10 | N09 | C11 | H7 | 14.3° | 135.0° |
| O10 | N09 | C11 | H8 | 134.2° | 15.0° |
| C13 | P14 | O16 | O17 | 109.4° | 120.0° |
| P14 | C13 | C12 | H9 | 1.2° | 0.1° |
| C13 | P14 | O16 | H12 | 125.1° | 60.0° |
| C13 | P14 | O17 | H13 | 121.2° | 179.9° |
| O16 | P14 | C13 | H1 | 132.3° | 180.0° |
| O16 | P14 | O17 | H13 | 124.3° | 60.0° |
| O17 | P14 | C13 | H1 | 16.2° | 60.0° |
| O17 | P14 | O16 | H12 | 125.5° | 60.0° |
| H1 | C13 | C12 | H9 | 178.8° | 179.7° |
| H3 | C03 | C04 | H4 | 0.1° | 0.0° |
| H5 | C06 | C07 | H6 | 0.8° | 0.0° |
| H7 | C11 | C12 | H9 | 132.3° | 64.9° |
| H8 | C11 | C12 | H9 | 12.4° | 175.0° |
