A1CE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL18 | C17 | sing | 1.74Å | 1.79Å | |
| C19 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| CL01 | C02 | sing | 1.74Å | 1.79Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.55Å | |
| 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 | 1.33Å | |
| N06 | C08 | sing | 1.47Å | 1.46Å | |
| N06 | O07 | sing | 1.42Å | 1.41Å | |
| O14 | P11 | doub | 1.48Å | 1.51Å | |
| C10 | P11 | sing | 1.81Å | 1.86Å | |
| O13 | P11 | sing | 1.61Å | 1.51Å | |
| P11 | O12 | sing | 1.61Å | 1.51Å | |
| 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 | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| O07 | H10 | sing | 0.97Å | 0.95Å | |
| O12 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL18 | C17 | C19 | 120.7° | 120.0° |
| CL18 | C17 | C16 | 119.3° | 119.9° |
| C17 | C19 | C02 | 119.6° | 120.3° |
| C19 | C17 | C16 | 120.0° | 120.1° |
| C17 | C19 | H9 | 120.2° | 119.8° |
| C19 | C02 | CL01 | 119.6° | 119.9° |
| C19 | C02 | C03 | 120.4° | 120.1° |
| C02 | C19 | H9 | 120.2° | 119.9° |
| C17 | C16 | C04 | 120.6° | 119.9° |
| C17 | C16 | H8 | 119.7° | 120.0° |
| CL01 | C02 | C03 | 119.9° | 119.9° |
| C02 | C03 | C04 | 119.8° | 119.9° |
| C02 | C03 | H1 | 120.1° | 120.1° |
| C16 | C04 | C03 | 119.6° | 119.7° |
| C16 | C04 | C05 | 118.0° | 120.2° |
| C04 | C16 | H8 | 119.7° | 120.0° |
| C03 | C04 | C05 | 122.4° | 120.1° |
| C04 | C03 | H1 | 120.1° | 120.1° |
| C04 | C05 | O15 | 118.3° | 120.0° |
| C04 | C05 | N06 | 123.2° | 120.0° |
| O15 | C05 | N06 | 118.5° | 120.0° |
| C05 | N06 | C08 | 121.8° | 120.0° |
| C05 | N06 | O07 | 119.3° | 120.0° |
| C08 | C09 | C10 | 110.9° | 120.0° |
| C09 | C08 | N06 | 108.4° | 109.5° |
| C09 | C08 | H2 | 109.7° | 109.5° |
| C09 | C08 | H3 | 109.7° | 109.5° |
| C08 | C09 | H4 | 124.5° | 120.0° |
| C09 | C10 | P11 | 152.9° | 120.0° |
| C10 | C09 | H4 | 124.5° | 120.0° |
| C09 | C10 | H6 | 103.6° | 120.0° |
| C08 | N06 | O07 | 118.9° | 120.0° |
| N06 | C08 | H2 | 109.7° | 109.4° |
| N06 | C08 | H3 | 109.8° | 109.5° |
| N06 | O07 | H10 | 109.5° | 114.0° |
| O14 | P11 | C10 | 103.2° | 109.4° |
| O14 | P11 | O13 | 111.2° | 109.5° |
| O14 | P11 | O12 | 111.2° | 109.4° |
| C10 | P11 | O13 | 109.5° | 109.5° |
| C10 | P11 | O12 | 110.0° | 109.4° |
| P11 | C10 | H6 | 103.6° | 120.1° |
| O13 | P11 | O12 | 111.3° | 109.5° |
| P11 | O13 | H12 | 109.5° | 114.0° |
| P11 | O12 | H11 | 109.5° | 113.9° |
| H2 | C08 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL18 | C17 | C19 | C16 | 179.6° | 179.9° |
| CL18 | C17 | C19 | C02 | 180.0° | 180.0° |
| CL18 | C17 | C16 | C04 | 179.9° | 180.0° |
| CL18 | C17 | C16 | H8 | 0.1° | 0.0° |
| CL18 | C17 | C19 | H9 | 0.0° | 0.0° |
| C17 | C19 | C02 | H9 | 180.0° | 179.9° |
| C17 | C19 | C02 | CL01 | 180.0° | 179.7° |
| C17 | C19 | C02 | C03 | 0.0° | 0.1° |
| C19 | C17 | C16 | C04 | 0.3° | 0.1° |
| C19 | C17 | C16 | H8 | 179.7° | 179.9° |
| C02 | C19 | C17 | C16 | 0.3° | 0.1° |
| C19 | C02 | CL01 | C03 | 180.0° | 179.6° |
| C19 | C02 | C03 | C04 | 0.4° | 0.1° |
| C19 | C02 | C03 | H1 | 179.6° | 180.0° |
| C17 | C16 | C04 | H8 | 180.0° | 180.0° |
| C17 | C16 | C04 | C03 | 0.1° | 0.0° |
| C17 | C16 | C04 | C05 | 179.3° | 180.0° |
| C16 | C17 | C19 | H9 | 179.7° | 180.0° |
| CL01 | C02 | C03 | C04 | 179.6° | 179.7° |
| CL01 | C02 | C03 | H1 | 0.4° | 0.3° |
| CL01 | C02 | C19 | H9 | 0.0° | 0.3° |
| C02 | C03 | C04 | C16 | 0.4° | 0.0° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.6° | 180.0° |
| C03 | C02 | C19 | H9 | 180.0° | 180.0° |
| C16 | C04 | C03 | C05 | 179.2° | 179.9° |
| C16 | C04 | C05 | O15 | 59.1° | 171.5° |
| C16 | C04 | C05 | N06 | 120.5° | 8.5° |
| C16 | C04 | C03 | H1 | 179.6° | 180.0° |
| C03 | C04 | C05 | O15 | 120.1° | 8.5° |
| C03 | C04 | C05 | N06 | 60.3° | 171.5° |
| C03 | C04 | C16 | H8 | 179.9° | 180.0° |
| C04 | C05 | O15 | N06 | 179.6° | 180.0° |
| C04 | C05 | N06 | C08 | 0.3° | 174.0° |
| C04 | C05 | N06 | O07 | 180.0° | 6.0° |
| C05 | C04 | C03 | H1 | 0.4° | 0.0° |
| C05 | C04 | C16 | H8 | 0.7° | 0.0° |
| O15 | C05 | N06 | C08 | 179.9° | 6.0° |
| O15 | C05 | N06 | O07 | 0.3° | 174.0° |
| C05 | N06 | C08 | C09 | 70.8° | 75.0° |
| C05 | N06 | C08 | O07 | 179.8° | 180.0° |
| C05 | N06 | C08 | H2 | 169.4° | 45.0° |
| C05 | N06 | C08 | H3 | 49.0° | 165.0° |
| C05 | N06 | O07 | H10 | 0.2° | 180.0° |
| C08 | C09 | C10 | H4 | 180.0° | 179.9° |
| C09 | C08 | N06 | H2 | 119.8° | 120.0° |
| C09 | C08 | N06 | H3 | 119.8° | 120.0° |
| C09 | C08 | N06 | O07 | 109.4° | 105.0° |
| C08 | C09 | C10 | P11 | 179.2° | 180.0° |
| C09 | C08 | H2 | H3 | 120.5° | 120.0° |
| C08 | C09 | C10 | H6 | 0.8° | 0.1° |
| C10 | C09 | C08 | N06 | 81.8° | 125.1° |
| C09 | C10 | P11 | O14 | 58.4° | 120.0° |
| C09 | C10 | P11 | H6 | 180.0° | 179.9° |
| C09 | C10 | P11 | O13 | 60.2° | 0.1° |
| C09 | C10 | P11 | O12 | 177.1° | 120.1° |
| C10 | C09 | C08 | H2 | 38.0° | 115.0° |
| C10 | C09 | C08 | H3 | 158.4° | 5.1° |
| N06 | C08 | H2 | H3 | 120.5° | 120.0° |
| N06 | C08 | C09 | H4 | 98.2° | 55.0° |
| C08 | N06 | O07 | H10 | 180.0° | 0.0° |
| O07 | N06 | C08 | H2 | 10.4° | 135.0° |
| O07 | N06 | C08 | H3 | 130.8° | 15.0° |
| O14 | P11 | C10 | O13 | 118.6° | 120.1° |
| O14 | P11 | C10 | O12 | 118.8° | 119.9° |
| O14 | P11 | O13 | O12 | 124.7° | 120.0° |
| O14 | P11 | C10 | H6 | 121.6° | 59.9° |
| O14 | P11 | O12 | H11 | 0.0° | 60.0° |
| O14 | P11 | O13 | H12 | 0.0° | 180.0° |
| C10 | P11 | O13 | O12 | 121.9° | 120.0° |
| P11 | C10 | C09 | H4 | 0.8° | 0.1° |
| C10 | P11 | O12 | H11 | 113.7° | 180.0° |
| C10 | P11 | O13 | H12 | 113.4° | 60.0° |
| O13 | P11 | C10 | H6 | 119.8° | 180.0° |
| O13 | P11 | O12 | H11 | 124.7° | 60.0° |
| O12 | P11 | C10 | H6 | 2.9° | 60.0° |
| O12 | P11 | O13 | H12 | 124.7° | 60.0° |
| H2 | C08 | C09 | H4 | 142.0° | 64.9° |
| H3 | C08 | C09 | H4 | 21.7° | 175.0° |
| H4 | C09 | C10 | H6 | 179.2° | 180.0° |
