A1CZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL09 | C06 | sing | 1.74Å | 1.78Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.53Å | |
| C04 | N10 | sing | 1.39Å | 1.45Å | |
| O22 | C02 | doub | 1.22Å | 1.26Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| O21 | C11 | doub | 1.21Å | 1.18Å | |
| N10 | C11 | sing | 1.35Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | O13 | sing | 1.43Å | 1.39Å | |
| O13 | C14 | sing | 1.36Å | 1.39Å | |
| CL20 | C15 | sing | 1.74Å | 1.78Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL09 | C06 | C07 | 120.0° | 119.9° |
| CL09 | C06 | C05 | 119.8° | 119.8° |
| C06 | C07 | C08 | 119.7° | 120.4° |
| C07 | C06 | C05 | 120.2° | 120.3° |
| C06 | C07 | H2 | 120.1° | 119.8° |
| C07 | C08 | C03 | 120.2° | 119.9° |
| C08 | C07 | H2 | 120.1° | 119.8° |
| C07 | C08 | H3 | 119.9° | 120.1° |
| C06 | C05 | C04 | 120.1° | 120.1° |
| C06 | C05 | H1 | 119.9° | 119.9° |
| C08 | C03 | C04 | 120.1° | 119.7° |
| C08 | C03 | C02 | 119.3° | 120.2° |
| C03 | C08 | H3 | 119.9° | 120.0° |
| C05 | C04 | C03 | 119.7° | 119.6° |
| C05 | C04 | N10 | 121.1° | 120.2° |
| C04 | C05 | H1 | 119.9° | 119.9° |
| C04 | C03 | C02 | 120.6° | 120.2° |
| C03 | C04 | N10 | 119.2° | 120.2° |
| C03 | C02 | O22 | 119.4° | 120.0° |
| C03 | C02 | O01 | 120.8° | 120.0° |
| C04 | N10 | C11 | 123.4° | 120.0° |
| C04 | N10 | H10 | 118.3° | 120.0° |
| O22 | C02 | O01 | 119.7° | 120.0° |
| C02 | O01 | H11 | 109.5° | 117.0° |
| O21 | C11 | N10 | 121.9° | 120.0° |
| O21 | C11 | C12 | 120.3° | 120.0° |
| N10 | C11 | C12 | 117.8° | 120.0° |
| C11 | N10 | H10 | 118.3° | 120.0° |
| C11 | C12 | O13 | 105.4° | 109.5° |
| C11 | C12 | H4 | 110.5° | 109.5° |
| C11 | C12 | H5 | 110.5° | 109.5° |
| C12 | O13 | C14 | 114.7° | 117.0° |
| O13 | C12 | H4 | 110.5° | 109.5° |
| O13 | C12 | H5 | 110.5° | 109.4° |
| O13 | C14 | C15 | 119.3° | 120.0° |
| O13 | C14 | C19 | 120.5° | 120.1° |
| CL20 | C15 | C14 | 119.6° | 120.0° |
| CL20 | C15 | C16 | 120.3° | 120.1° |
| C15 | C14 | C19 | 120.3° | 119.9° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C19 | C18 | 119.7° | 120.0° |
| C14 | C19 | H9 | 120.2° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.1° |
| C15 | C16 | H6 | 120.2° | 119.9° |
| C19 | C18 | C17 | 120.0° | 120.1° |
| C19 | C18 | H8 | 120.0° | 119.9° |
| C18 | C19 | H9 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C17 | C16 | H6 | 120.1° | 120.0° |
| C16 | C17 | H7 | 119.9° | 119.9° |
| C18 | C17 | H7 | 119.9° | 120.0° |
| C17 | C18 | H8 | 120.0° | 120.0° |
| H4 | C12 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL09 | C06 | C07 | C05 | 179.9° | 179.9° |
| CL09 | C06 | C07 | C08 | 179.8° | 179.8° |
| CL09 | C06 | C05 | C04 | 179.8° | 180.0° |
| CL09 | C06 | C05 | H1 | 0.2° | 0.1° |
| CL09 | C06 | C07 | H2 | 0.2° | 0.1° |
| C06 | C07 | C08 | H2 | 180.0° | 179.8° |
| C06 | C07 | C08 | C03 | 0.0° | 0.4° |
| C07 | C06 | C05 | C04 | 0.1° | 0.1° |
| C07 | C06 | C05 | H1 | 179.9° | 180.0° |
| C06 | C07 | C08 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.1° |
| C07 | C08 | C03 | H3 | 180.0° | 179.6° |
| C07 | C08 | C03 | C04 | 0.0° | 0.4° |
| C07 | C08 | C03 | C02 | 179.9° | 179.8° |
| C06 | C05 | C04 | H1 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C06 | C05 | C04 | N10 | 179.9° | 179.9° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C08 | C03 | C04 | C05 | 0.1° | 0.2° |
| C08 | C03 | C04 | C02 | 180.0° | 179.8° |
| C08 | C03 | C04 | N10 | 179.8° | 179.8° |
| C08 | C03 | C02 | O22 | 20.7° | 174.7° |
| C08 | C03 | C02 | O01 | 158.4° | 5.0° |
| C03 | C08 | C07 | H2 | 180.0° | 179.8° |
| C05 | C04 | C03 | N10 | 179.8° | 180.0° |
| C05 | C04 | C03 | C02 | 180.0° | 180.0° |
| C05 | C04 | N10 | C11 | 17.2° | 35.0° |
| C05 | C04 | N10 | H10 | 162.8° | 145.1° |
| C04 | C03 | C02 | O22 | 159.4° | 5.1° |
| C04 | C03 | C02 | O01 | 21.5° | 175.2° |
| C03 | C04 | N10 | C11 | 163.1° | 145.0° |
| C03 | C04 | C05 | H1 | 179.9° | 179.9° |
| C04 | C03 | C08 | H3 | 180.0° | 180.0° |
| C03 | C04 | N10 | H10 | 16.9° | 34.9° |
| C02 | C03 | C04 | N10 | 0.2° | 0.0° |
| C03 | C02 | O22 | O01 | 179.1° | 179.7° |
| C02 | C03 | C08 | H3 | 0.1° | 0.2° |
| C03 | C02 | O01 | H11 | 179.1° | 180.0° |
| C04 | N10 | C11 | O21 | 0.2° | 5.3° |
| C04 | N10 | C11 | H10 | 180.0° | 179.9° |
| C04 | N10 | C11 | C12 | 179.9° | 174.7° |
| N10 | C04 | C05 | H1 | 0.1° | 0.1° |
| O22 | C02 | O01 | H11 | 0.0° | 0.3° |
| O21 | C11 | N10 | C12 | 179.9° | 180.0° |
| O21 | C11 | C12 | O13 | 179.4° | 0.0° |
| O21 | C11 | C12 | H4 | 60.1° | 120.0° |
| O21 | C11 | C12 | H5 | 61.2° | 120.0° |
| O21 | C11 | N10 | H10 | 179.8° | 174.6° |
| N10 | C11 | C12 | O13 | 0.4° | 180.0° |
| N10 | C11 | C12 | H4 | 119.8° | 60.0° |
| N10 | C11 | C12 | H5 | 118.9° | 60.0° |
| C11 | C12 | O13 | H4 | 119.3° | 120.0° |
| C11 | C12 | O13 | H5 | 119.4° | 120.0° |
| C11 | C12 | O13 | C14 | 163.1° | 180.0° |
| C11 | C12 | H4 | H5 | 121.9° | 120.0° |
| C12 | C11 | N10 | H10 | 0.1° | 5.4° |
| C12 | O13 | C14 | C15 | 153.3° | 180.0° |
| C12 | O13 | C14 | C19 | 26.7° | 0.2° |
| O13 | C12 | H4 | H5 | 121.9° | 120.0° |
| O13 | C14 | C15 | CL20 | 0.2° | 0.3° |
| O13 | C14 | C15 | C19 | 179.9° | 179.7° |
| O13 | C14 | C15 | C16 | 179.9° | 179.8° |
| O13 | C14 | C19 | C18 | 179.9° | 179.8° |
| C14 | O13 | C12 | H4 | 77.6° | 60.0° |
| C14 | O13 | C12 | H5 | 43.7° | 60.0° |
| O13 | C14 | C19 | H9 | 0.1° | 0.2° |
| CL20 | C15 | C14 | C16 | 179.7° | 180.0° |
| CL20 | C15 | C14 | C19 | 179.8° | 180.0° |
| CL20 | C15 | C16 | C17 | 179.8° | 179.9° |
| CL20 | C15 | C16 | H6 | 0.2° | 0.0° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H6 | 179.9° | 180.0° |
| C15 | C14 | C19 | H9 | 179.9° | 179.9° |
| C19 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C19 | C18 | H9 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C14 | C19 | C18 | H8 | 179.9° | 180.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H7 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | H8 | 180.0° | 180.0° |
| C19 | C18 | C17 | H7 | 179.9° | 179.9° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | H8 | 179.9° | 180.0° |
| C18 | C17 | C16 | H6 | 179.9° | 180.0° |
| C17 | C18 | C19 | H9 | 179.9° | 180.0° |
| H2 | C07 | C08 | H3 | 0.0° | 0.1° |
| H6 | C16 | C17 | H7 | 0.1° | 0.1° |
| H7 | C17 | C18 | H8 | 0.1° | 0.1° |
| H8 | C18 | C19 | H9 | 0.1° | 0.0° |
