A1EA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O03 | sing | 1.45Å | 1.41Å | |
| O03 | C04 | sing | 1.34Å | 1.41Å | |
| O05 | C04 | doub | 1.21Å | 1.19Å | |
| C04 | C06 | sing | 1.51Å | 1.54Å | |
| N10 | C11 | sing | 1.40Å | 1.46Å | |
| N10 | C08 | sing | 1.35Å | 1.46Å | |
| C11 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | CL15 | sing | 1.74Å | 1.79Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | O09 | doub | 1.21Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| N10 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 108.7° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.7° | 109.5° |
| C01 | C02 | H5 | 109.6° | 109.5° |
| C02 | O03 | C04 | 113.8° | 117.0° |
| O03 | C02 | H4 | 109.6° | 109.5° |
| O03 | C02 | H5 | 109.7° | 109.5° |
| O03 | C04 | O05 | 119.7° | 120.0° |
| O03 | C04 | C06 | 120.3° | 120.0° |
| O05 | C04 | C06 | 120.1° | 120.0° |
| C04 | C06 | C07 | 108.6° | 109.5° |
| C04 | C06 | H6 | 109.7° | 109.5° |
| C04 | C06 | H7 | 109.7° | 109.5° |
| C11 | N10 | C08 | 119.7° | 120.0° |
| N10 | C11 | C17 | 119.5° | 120.0° |
| N10 | C11 | C12 | 120.6° | 120.0° |
| C11 | N10 | H14 | 120.1° | 120.0° |
| N10 | C08 | C07 | 121.6° | 120.0° |
| N10 | C08 | O09 | 119.4° | 120.0° |
| C08 | N10 | H14 | 120.1° | 120.0° |
| C17 | C11 | C12 | 119.8° | 120.0° |
| C11 | C17 | C16 | 119.7° | 119.9° |
| C11 | C17 | H13 | 120.1° | 120.1° |
| C11 | C12 | C13 | 120.4° | 119.9° |
| C11 | C12 | H10 | 119.8° | 120.1° |
| C17 | C16 | C14 | 120.5° | 120.0° |
| C17 | C16 | H12 | 119.8° | 119.9° |
| C16 | C17 | H13 | 120.1° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.1° |
| C13 | C12 | H10 | 119.8° | 120.0° |
| C12 | C13 | H11 | 120.2° | 120.0° |
| C16 | C14 | C13 | 120.0° | 120.2° |
| C16 | C14 | CL15 | 119.7° | 119.9° |
| C14 | C16 | H12 | 119.8° | 120.0° |
| C13 | C14 | CL15 | 120.3° | 120.0° |
| C14 | C13 | H11 | 120.2° | 119.9° |
| C06 | C07 | C08 | 110.5° | 109.5° |
| C07 | C06 | H6 | 109.7° | 109.4° |
| C07 | C06 | H7 | 109.7° | 109.5° |
| C06 | C07 | H8 | 109.2° | 109.5° |
| C06 | C07 | H9 | 109.2° | 109.5° |
| C07 | C08 | O09 | 119.0° | 120.1° |
| C08 | C07 | H8 | 109.2° | 109.5° |
| C08 | C07 | H9 | 109.2° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.4° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | H4 | 119.9° | 120.0° |
| C01 | C02 | O03 | H5 | 119.9° | 120.0° |
| C01 | C02 | O03 | C04 | 98.5° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 120.3° | 120.0° |
| C02 | O03 | C04 | O05 | 9.9° | 0.1° |
| C02 | O03 | C04 | C06 | 171.0° | 180.0° |
| O03 | C02 | C01 | H1 | 180.0° | 180.0° |
| O03 | C02 | C01 | H2 | 60.0° | 60.0° |
| O03 | C02 | C01 | H3 | 60.0° | 60.0° |
| O03 | C02 | H4 | H5 | 120.3° | 120.0° |
| O03 | C04 | O05 | C06 | 179.1° | 179.9° |
| O03 | C04 | C06 | C07 | 29.0° | 179.9° |
| C04 | O03 | C02 | H4 | 21.5° | 60.0° |
| C04 | O03 | C02 | H5 | 141.7° | 60.0° |
| O03 | C04 | C06 | H6 | 148.8° | 60.0° |
| O03 | C04 | C06 | H7 | 90.9° | 60.0° |
| O05 | C04 | C06 | C07 | 150.1° | 0.0° |
| O05 | C04 | C06 | H6 | 30.3° | 120.0° |
| O05 | C04 | C06 | H7 | 90.0° | 120.1° |
| C04 | C06 | C07 | H6 | 119.9° | 120.0° |
| C04 | C06 | C07 | H7 | 119.9° | 120.0° |
| C04 | C06 | C07 | C08 | 95.2° | 180.0° |
| C04 | C06 | H6 | H7 | 120.4° | 120.0° |
| C04 | C06 | C07 | H8 | 144.6° | 60.0° |
| C04 | C06 | C07 | H9 | 24.9° | 60.0° |
| C11 | N10 | C08 | H14 | 180.0° | 180.0° |
| N10 | C11 | C17 | C12 | 179.9° | 179.7° |
| N10 | C11 | C17 | C16 | 179.8° | 179.7° |
| N10 | C11 | C12 | C13 | 179.8° | 179.7° |
| C11 | N10 | C08 | C07 | 179.9° | 175.4° |
| C11 | N10 | C08 | O09 | 0.8° | 4.7° |
| N10 | C11 | C12 | H10 | 0.2° | 0.3° |
| N10 | C11 | C17 | H13 | 0.2° | 0.3° |
| C08 | N10 | C11 | C17 | 113.0° | 144.9° |
| C08 | N10 | C11 | C12 | 66.9° | 35.4° |
| N10 | C08 | C07 | C06 | 102.4° | 180.0° |
| N10 | C08 | C07 | O09 | 179.3° | 180.0° |
| N10 | C08 | C07 | H8 | 137.5° | 60.0° |
| N10 | C08 | C07 | H9 | 17.8° | 60.0° |
| C11 | C17 | C16 | H13 | 180.0° | 180.0° |
| C17 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C17 | C16 | C14 | 0.0° | 0.1° |
| C17 | C11 | C12 | H10 | 179.9° | 180.0° |
| C11 | C17 | C16 | H12 | 180.0° | 179.9° |
| C17 | C11 | N10 | H14 | 67.0° | 35.1° |
| C12 | C11 | C17 | C16 | 0.1° | 0.0° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C12 | C11 | C17 | H13 | 179.9° | 180.0° |
| C12 | C11 | N10 | H14 | 113.1° | 144.6° |
| C17 | C16 | C14 | H12 | 180.0° | 179.8° |
| C17 | C16 | C14 | C13 | 0.1° | 0.1° |
| C17 | C16 | C14 | CL15 | 180.0° | 179.9° |
| C12 | C13 | C14 | C16 | 0.1° | 0.1° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | CL15 | 180.0° | 180.0° |
| C16 | C14 | C13 | CL15 | 179.9° | 179.9° |
| C16 | C14 | C13 | H11 | 179.9° | 180.0° |
| C14 | C16 | C17 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C13 | C14 | C16 | H12 | 179.9° | 180.0° |
| CL15 | C14 | C13 | H11 | 0.0° | 0.1° |
| CL15 | C14 | C16 | H12 | 0.0° | 0.1° |
| C06 | C07 | C08 | H8 | 120.1° | 120.0° |
| C06 | C07 | C08 | H9 | 120.2° | 120.0° |
| C06 | C07 | C08 | O09 | 76.9° | 0.0° |
| C07 | C06 | H6 | H7 | 120.4° | 120.0° |
| C06 | C07 | H8 | H9 | 119.5° | 120.0° |
| C08 | C07 | C06 | H6 | 24.7° | 60.0° |
| C08 | C07 | C06 | H7 | 144.9° | 60.0° |
| C08 | C07 | H8 | H9 | 119.5° | 120.0° |
| C07 | C08 | N10 | H14 | 0.0° | 4.7° |
| O09 | C08 | C07 | H8 | 43.2° | 120.0° |
| O09 | C08 | C07 | H9 | 162.9° | 120.0° |
| O09 | C08 | N10 | H14 | 179.2° | 175.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 60.1° | 60.0° |
| H1 | C01 | C02 | H5 | 60.1° | 60.0° |
| H2 | C01 | C02 | H4 | 59.9° | 60.0° |
| H2 | C01 | C02 | H5 | 179.9° | 180.0° |
| H3 | C01 | C02 | H4 | 179.9° | 180.0° |
| H3 | C01 | C02 | H5 | 59.9° | 60.0° |
| H6 | C06 | C07 | H8 | 95.5° | 180.0° |
| H6 | C06 | C07 | H9 | 144.8° | 60.0° |
| H7 | C06 | C07 | H8 | 24.8° | 60.0° |
| H7 | C06 | C07 | H9 | 95.0° | 180.0° |
| H10 | C12 | C13 | H11 | 0.0° | 0.0° |
| H12 | C16 | C17 | H13 | 0.0° | 0.1° |
