7KE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | sing | 1.43Å | 1.40Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | O10 | sing | 1.34Å | 1.32Å | Aromatic |
| C11 | N12 | doub | 1.31Å | 1.33Å | Aromatic |
| O10 | N09 | sing | 1.21Å | 1.33Å | Aromatic |
| N12 | C08 | sing | 1.35Å | 1.35Å | Aromatic |
| N09 | C08 | doub | 1.31Å | 1.33Å | Aromatic |
| C08 | C03 | sing | 1.48Å | 1.52Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | CL7 | sing | 1.74Å | 1.78Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C14 | 109.0° | 109.4° |
| O16 | C15 | H152 | 109.6° | 109.4° |
| O16 | C15 | H151 | 109.6° | 109.5° |
| C15 | O16 | H161 | 109.5° | 113.9° |
| C15 | C14 | C13 | 108.8° | 109.5° |
| C14 | C15 | H152 | 109.6° | 109.5° |
| C14 | C15 | H151 | 109.6° | 109.5° |
| C15 | C14 | H141 | 109.6° | 109.5° |
| C15 | C14 | H142 | 109.6° | 109.5° |
| C14 | C13 | C11 | 109.7° | 109.5° |
| C13 | C14 | H141 | 109.6° | 109.5° |
| C13 | C14 | H142 | 109.6° | 109.4° |
| C14 | C13 | H131 | 109.4° | 109.5° |
| C14 | C13 | H132 | 109.4° | 109.4° |
| C13 | C11 | O10 | 126.5° | 126.5° |
| C13 | C11 | N12 | 125.6° | 126.4° |
| C11 | C13 | H131 | 109.4° | 109.5° |
| C11 | C13 | H132 | 109.4° | 109.5° |
| O10 | C11 | N12 | 107.9° | 107.1° |
| C11 | O10 | N09 | 109.4° | 110.0° |
| C11 | N12 | C08 | 107.4° | 105.6° |
| O10 | N09 | C08 | 107.3° | 110.1° |
| N12 | C08 | N09 | 108.1° | 107.2° |
| N12 | C08 | C03 | 125.6° | 126.4° |
| N09 | C08 | C03 | 126.3° | 126.5° |
| C08 | C03 | C02 | 119.7° | 120.1° |
| C08 | C03 | C04 | 120.1° | 120.1° |
| C02 | C03 | C04 | 120.2° | 119.8° |
| C03 | C02 | C01 | 119.9° | 119.9° |
| C03 | C02 | H021 | 120.0° | 120.1° |
| C03 | C04 | C05 | 119.9° | 119.9° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C02 | C01 | C06 | 120.0° | 120.1° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C04 | C05 | C06 | 119.9° | 120.1° |
| C04 | C05 | H051 | 120.0° | 119.9° |
| C05 | C04 | H041 | 120.1° | 120.1° |
| C01 | C06 | C05 | 120.1° | 120.2° |
| C01 | C06 | CL7 | 119.8° | 119.9° |
| C06 | C01 | H011 | 120.0° | 119.9° |
| C05 | C06 | CL7 | 120.1° | 119.9° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C14 | H152 | 119.9° | 119.9° |
| O16 | C15 | C14 | H151 | 119.9° | 120.1° |
| O16 | C15 | C14 | C13 | 176.8° | 180.0° |
| O16 | C15 | H152 | H151 | 120.2° | 120.1° |
| O16 | C15 | C14 | H141 | 63.2° | 59.9° |
| O16 | C15 | C14 | H142 | 56.9° | 60.1° |
| C15 | C14 | C13 | H141 | 119.9° | 120.1° |
| C15 | C14 | C13 | H142 | 119.9° | 120.0° |
| C15 | C14 | C13 | C11 | 176.7° | 180.0° |
| C14 | C15 | H152 | H151 | 120.2° | 120.0° |
| C15 | C14 | H141 | H142 | 120.3° | 120.0° |
| C15 | C14 | C13 | H131 | 63.3° | 59.9° |
| C15 | C14 | C13 | H132 | 56.7° | 60.0° |
| C14 | C15 | O16 | H161 | 180.0° | 179.9° |
| C14 | C13 | C11 | H131 | 120.0° | 120.1° |
| C14 | C13 | C11 | H132 | 120.0° | 119.9° |
| C14 | C13 | C11 | O10 | 65.5° | 90.1° |
| C14 | C13 | C11 | N12 | 114.8° | 90.4° |
| C13 | C14 | C15 | H152 | 56.9° | 60.1° |
| C13 | C14 | C15 | H151 | 63.2° | 59.9° |
| C13 | C14 | H141 | H142 | 120.3° | 119.9° |
| C14 | C13 | H131 | H132 | 119.9° | 119.9° |
| C13 | C11 | O10 | N12 | 179.8° | 179.6° |
| C13 | C11 | O10 | N09 | 179.9° | 180.0° |
| C13 | C11 | N12 | C08 | 179.8° | 180.0° |
| C11 | C13 | C14 | H141 | 56.8° | 59.9° |
| C11 | C13 | C14 | H142 | 63.4° | 60.0° |
| C11 | C13 | H131 | H132 | 119.9° | 120.0° |
| O10 | C11 | N12 | C08 | 0.1° | 0.3° |
| C11 | O10 | N09 | C08 | 0.2° | 0.2° |
| O10 | C11 | C13 | H131 | 174.5° | 149.9° |
| O10 | C11 | C13 | H132 | 54.5° | 29.9° |
| N12 | C11 | O10 | N09 | 0.1° | 0.3° |
| C11 | N12 | C08 | N09 | 0.0° | 0.2° |
| C11 | N12 | C08 | C03 | 179.7° | 179.9° |
| N12 | C11 | C13 | H131 | 5.2° | 29.7° |
| N12 | C11 | C13 | H132 | 125.2° | 149.7° |
| O10 | N09 | C08 | N12 | 0.1° | 0.0° |
| O10 | N09 | C08 | C03 | 179.7° | 179.9° |
| N12 | C08 | N09 | C03 | 179.6° | 179.9° |
| N12 | C08 | C03 | C02 | 0.2° | 180.0° |
| N12 | C08 | C03 | C04 | 179.6° | 0.4° |
| N09 | C08 | C03 | C02 | 179.7° | 0.1° |
| N09 | C08 | C03 | C04 | 0.0° | 179.7° |
| C08 | C03 | C02 | C04 | 179.7° | 179.6° |
| C08 | C03 | C02 | C01 | 179.8° | 180.0° |
| C08 | C03 | C04 | C05 | 179.8° | 179.9° |
| C08 | C03 | C02 | H021 | 0.1° | 0.1° |
| C08 | C03 | C04 | H041 | 0.2° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.3° |
| C03 | C02 | C01 | C06 | 0.1° | 0.1° |
| C02 | C03 | C04 | H041 | 179.9° | 179.7° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.4° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H051 | 179.9° | 179.9° |
| C04 | C03 | C02 | H021 | 179.9° | 179.7° |
| C02 | C01 | C06 | H011 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.2° | 0.3° |
| C02 | C01 | C06 | CL7 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.2° | 0.3° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | CL7 | 180.0° | 180.0° |
| C01 | C06 | C05 | CL7 | 179.8° | 179.7° |
| C01 | C06 | C05 | H051 | 179.8° | 179.8° |
| C06 | C01 | C02 | H021 | 179.8° | 180.0° |
| C06 | C05 | C04 | H041 | 179.9° | 179.9° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| CL7 | C06 | C05 | H051 | 0.0° | 0.0° |
| CL7 | C06 | C01 | H011 | 0.0° | 0.1° |
| H152 | C15 | C14 | H141 | 176.8° | 60.0° |
| H152 | C15 | C14 | H142 | 63.0° | 180.0° |
| H152 | C15 | O16 | H161 | 60.1° | 60.0° |
| H151 | C15 | C14 | H141 | 56.7° | 180.0° |
| H151 | C15 | C14 | H142 | 176.9° | 60.0° |
| H151 | C15 | O16 | H161 | 60.1° | 60.0° |
| H141 | C14 | C13 | H131 | 176.8° | 180.0° |
| H141 | C14 | C13 | H132 | 63.3° | 60.0° |
| H142 | C14 | C13 | H131 | 56.6° | 60.0° |
| H142 | C14 | C13 | H132 | 176.6° | 180.0° |
| H051 | C05 | C04 | H041 | 0.1° | 0.0° |
| H021 | C02 | C01 | H011 | 0.1° | 0.1° |
