A1CFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C18 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.54Å | |
| O15 | C05 | doub | 1.22Å | 1.18Å | |
| C05 | N06 | sing | 1.35Å | 1.47Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | C10 | doub | 1.31Å | 1.32Å | |
| O12 | P11 | doub | 1.48Å | 1.50Å | |
| N06 | C08 | sing | 1.47Å | 1.46Å | |
| N06 | O07 | sing | 1.42Å | 1.40Å | |
| C10 | P11 | sing | 1.81Å | 1.87Å | |
| O14 | P11 | sing | 1.61Å | 1.49Å | |
| P11 | O13 | sing | 1.61Å | 1.50Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| O07 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C18 | 121.6° | 119.9° |
| CL01 | C02 | C03 | 118.7° | 119.9° |
| C02 | C18 | C17 | 119.7° | 120.2° |
| C18 | C02 | C03 | 119.7° | 120.1° |
| C02 | C18 | H10 | 120.2° | 119.9° |
| C18 | C17 | C16 | 120.5° | 120.2° |
| C18 | C17 | H9 | 119.8° | 119.9° |
| C17 | C18 | H10 | 120.2° | 119.9° |
| C02 | C03 | C04 | 120.7° | 119.8° |
| C02 | C03 | H1 | 119.7° | 120.1° |
| C17 | C16 | C04 | 119.4° | 119.9° |
| C17 | C16 | H8 | 120.3° | 120.1° |
| C16 | C17 | H9 | 119.7° | 120.0° |
| C03 | C04 | C16 | 120.0° | 119.7° |
| C03 | C04 | C05 | 117.8° | 120.1° |
| C04 | C03 | H1 | 119.6° | 120.1° |
| C16 | C04 | C05 | 122.2° | 120.2° |
| C04 | C16 | H8 | 120.3° | 120.0° |
| C04 | C05 | O15 | 117.1° | 120.0° |
| C04 | C05 | N06 | 123.9° | 120.0° |
| O15 | C05 | N06 | 119.1° | 120.0° |
| C05 | N06 | C08 | 122.5° | 120.0° |
| C05 | N06 | O07 | 119.3° | 120.0° |
| C08 | C09 | C10 | 113.8° | 120.0° |
| C09 | C08 | N06 | 110.4° | 109.5° |
| C09 | C08 | H2 | 109.2° | 109.4° |
| C09 | C08 | H3 | 109.3° | 109.5° |
| C08 | C09 | H4 | 123.1° | 120.0° |
| C09 | C10 | P11 | 150.7° | 120.0° |
| C10 | C09 | H4 | 123.1° | 120.0° |
| C09 | C10 | H6 | 104.6° | 120.0° |
| O12 | P11 | C10 | 114.0° | 109.4° |
| O12 | P11 | O14 | 111.1° | 109.5° |
| O12 | P11 | O13 | 111.6° | 109.5° |
| C08 | N06 | O07 | 118.2° | 120.0° |
| N06 | C08 | H2 | 109.2° | 109.5° |
| N06 | C08 | H3 | 109.2° | 109.5° |
| N06 | O07 | H11 | 109.5° | 114.0° |
| C10 | P11 | O14 | 98.6° | 109.5° |
| C10 | P11 | O13 | 109.5° | 109.5° |
| P11 | C10 | H6 | 104.6° | 120.0° |
| O14 | P11 | O13 | 111.4° | 109.5° |
| P11 | O14 | H13 | 109.5° | 114.0° |
| P11 | O13 | H12 | 109.5° | 114.0° |
| H2 | C08 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C18 | C03 | 179.8° | 179.7° |
| CL01 | C02 | C18 | C17 | 180.0° | 179.7° |
| CL01 | C02 | C03 | C04 | 179.7° | 179.7° |
| CL01 | C02 | C03 | H1 | 0.3° | 0.3° |
| CL01 | C02 | C18 | H10 | 0.0° | 0.3° |
| C02 | C18 | C17 | H10 | 180.0° | 180.0° |
| C02 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C02 | C03 | C04 | 0.1° | 0.0° |
| C18 | C02 | C03 | H1 | 179.9° | 180.0° |
| C02 | C18 | C17 | H9 | 179.9° | 180.0° |
| C17 | C18 | C02 | C03 | 0.2° | 0.0° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | C04 | 0.8° | 0.0° |
| C18 | C17 | C16 | H8 | 179.2° | 180.0° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C16 | 0.8° | 0.0° |
| C02 | C03 | C04 | C05 | 179.0° | 180.0° |
| C03 | C02 | C18 | H10 | 179.7° | 180.0° |
| C17 | C16 | C04 | C03 | 1.1° | 0.0° |
| C17 | C16 | C04 | H8 | 180.0° | 179.9° |
| C17 | C16 | C04 | C05 | 179.3° | 180.0° |
| C16 | C17 | C18 | H10 | 179.9° | 179.9° |
| C03 | C04 | C16 | C05 | 178.1° | 180.0° |
| C03 | C04 | C05 | O15 | 57.4° | 8.5° |
| C03 | C04 | C05 | N06 | 122.6° | 171.5° |
| C03 | C04 | C16 | H8 | 178.9° | 180.0° |
| C16 | C04 | C05 | O15 | 120.8° | 171.5° |
| C16 | C04 | C05 | N06 | 59.2° | 8.5° |
| C16 | C04 | C03 | H1 | 179.3° | 180.0° |
| C04 | C16 | C17 | H9 | 179.2° | 180.0° |
| C04 | C05 | O15 | N06 | 180.0° | 180.0° |
| C04 | C05 | N06 | C08 | 0.2° | 174.0° |
| C04 | C05 | N06 | O07 | 179.7° | 6.0° |
| C05 | C04 | C03 | H1 | 1.0° | 0.1° |
| C05 | C04 | C16 | H8 | 0.7° | 0.1° |
| O15 | C05 | N06 | C08 | 179.9° | 6.0° |
| O15 | C05 | N06 | O07 | 0.3° | 174.0° |
| C05 | N06 | C08 | C09 | 75.7° | 75.0° |
| C05 | N06 | C08 | O07 | 179.5° | 179.9° |
| C05 | N06 | C08 | H2 | 164.2° | 45.0° |
| C05 | N06 | C08 | H3 | 44.5° | 165.0° |
| C05 | N06 | O07 | H11 | 0.2° | 180.0° |
| C08 | C09 | C10 | H4 | 180.0° | 179.9° |
| C09 | C08 | N06 | H2 | 120.1° | 119.9° |
| C09 | C08 | N06 | H3 | 120.2° | 120.0° |
| C09 | C08 | N06 | O07 | 104.8° | 105.0° |
| C08 | C09 | C10 | P11 | 178.6° | 180.0° |
| C09 | C08 | H2 | H3 | 119.6° | 120.0° |
| C08 | C09 | C10 | H6 | 1.4° | 0.1° |
| C09 | C10 | P11 | O12 | 71.0° | 120.0° |
| C10 | C09 | C08 | N06 | 67.1° | 125.0° |
| C09 | C10 | P11 | H6 | 180.0° | 179.9° |
| C09 | C10 | P11 | O14 | 46.8° | 0.0° |
| C09 | C10 | P11 | O13 | 163.2° | 120.0° |
| C10 | C09 | C08 | H2 | 53.1° | 115.1° |
| C10 | C09 | C08 | H3 | 172.8° | 5.0° |
| O12 | P11 | C10 | O14 | 117.8° | 120.0° |
| O12 | P11 | C10 | O13 | 125.8° | 120.0° |
| O12 | P11 | O14 | O13 | 125.1° | 120.0° |
| O12 | P11 | C10 | H6 | 109.0° | 60.1° |
| O12 | P11 | O13 | H12 | 0.0° | 60.0° |
| O12 | P11 | O14 | H13 | 0.0° | 180.0° |
| N06 | C08 | H2 | H3 | 119.6° | 120.0° |
| N06 | C08 | C09 | H4 | 113.0° | 54.9° |
| C08 | N06 | O07 | H11 | 179.7° | 0.1° |
| O07 | N06 | C08 | H2 | 15.4° | 135.1° |
| O07 | N06 | C08 | H3 | 135.1° | 15.0° |
| C10 | P11 | O14 | O13 | 114.9° | 120.0° |
| P11 | C10 | C09 | H4 | 1.4° | 0.1° |
| C10 | P11 | O13 | H12 | 127.2° | 180.0° |
| C10 | P11 | O14 | H13 | 120.0° | 60.0° |
| O14 | P11 | C10 | H6 | 133.2° | 180.0° |
| O14 | P11 | O13 | H12 | 124.8° | 60.0° |
| O13 | P11 | C10 | H6 | 16.8° | 60.0° |
| O13 | P11 | O14 | H13 | 125.1° | 60.0° |
| H2 | C08 | C09 | H4 | 126.9° | 65.0° |
| H3 | C08 | C09 | H4 | 7.2° | 174.9° |
| H4 | C09 | C10 | H6 | 178.6° | 180.0° |
| H8 | C16 | C17 | H9 | 0.8° | 0.1° |
| H9 | C17 | C18 | H10 | 0.1° | 0.1° |
