5LA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C02 | sing | 1.74Å | 1.68Å | |
| C02 | C03 | doub | 1.32Å | 1.38Å | Aromatic |
| C02 | S12 | sing | 1.75Å | 1.71Å | Aromatic |
| C03 | C04 | sing | 1.46Å | 1.43Å | Aromatic |
| S12 | C11 | sing | 1.76Å | 1.67Å | Aromatic |
| C04 | C11 | doub | 1.38Å | 1.45Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.44Å | Aromatic |
| C11 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.36Å | 1.41Å | Aromatic |
| N10 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.46Å | 1.49Å | |
| C07 | O09 | doub | 1.22Å | 1.24Å | |
| C07 | O08 | sing | 1.35Å | 1.36Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| O08 | H3 | sing | 0.97Å | 0.95Å | |
| N10 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C02 | C03 | 127.2° | 124.3° |
| CL1 | C02 | S12 | 119.4° | 124.4° |
| C03 | C02 | S12 | 113.4° | 111.3° |
| C02 | C03 | C04 | 111.6° | 114.6° |
| C02 | C03 | H1 | 124.2° | 122.7° |
| C02 | S12 | C11 | 92.3° | 92.1° |
| C03 | C04 | C11 | 110.1° | 112.2° |
| C03 | C04 | C05 | 143.9° | 140.8° |
| C04 | C03 | H1 | 124.2° | 122.7° |
| S12 | C11 | C04 | 112.6° | 109.8° |
| S12 | C11 | N10 | 138.7° | 142.0° |
| C11 | C04 | C05 | 106.0° | 107.0° |
| C04 | C11 | N10 | 108.7° | 108.2° |
| C04 | C05 | C06 | 107.8° | 107.7° |
| C04 | C05 | H2 | 126.1° | 126.1° |
| C11 | N10 | C06 | 109.0° | 108.6° |
| C11 | N10 | H4 | 125.5° | 125.6° |
| C05 | C06 | N10 | 108.5° | 108.5° |
| C05 | C06 | C07 | 128.9° | 125.8° |
| C06 | C05 | H2 | 126.1° | 126.2° |
| N10 | C06 | C07 | 122.6° | 125.7° |
| C06 | N10 | H4 | 125.5° | 125.7° |
| C06 | C07 | O09 | 128.3° | 120.0° |
| C06 | C07 | O08 | 116.0° | 120.0° |
| O09 | C07 | O08 | 113.7° | 120.0° |
| C07 | O08 | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C02 | C03 | S12 | 179.7° | 179.8° |
| CL1 | C02 | C03 | C04 | 179.6° | 180.0° |
| CL1 | C02 | S12 | C11 | 179.2° | 179.9° |
| CL1 | C02 | C03 | H1 | 0.3° | 0.1° |
| C02 | C03 | C04 | H1 | 180.0° | 179.9° |
| C03 | C02 | S12 | C11 | 0.6° | 0.3° |
| C02 | C03 | C04 | C11 | 0.6° | 0.1° |
| C02 | C03 | C04 | C05 | 179.7° | 180.0° |
| S12 | C02 | C03 | C04 | 0.1° | 0.2° |
| C02 | S12 | C11 | C04 | 0.9° | 0.4° |
| C02 | S12 | C11 | N10 | 179.8° | 179.9° |
| S12 | C02 | C03 | H1 | 179.9° | 179.7° |
| C03 | C04 | C11 | S12 | 1.0° | 0.3° |
| C03 | C04 | C11 | C05 | 179.5° | 180.0° |
| C03 | C04 | C11 | N10 | 179.8° | 180.0° |
| C03 | C04 | C05 | C06 | 179.7° | 179.9° |
| C03 | C04 | C05 | H2 | 0.3° | 0.1° |
| S12 | C11 | C04 | N10 | 179.2° | 179.7° |
| S12 | C11 | C04 | C05 | 179.5° | 179.7° |
| S12 | C11 | N10 | C06 | 178.9° | 179.5° |
| S12 | C11 | N10 | H4 | 1.1° | 0.4° |
| C11 | C04 | C05 | C06 | 0.5° | 0.0° |
| C04 | C11 | N10 | C06 | 0.0° | 0.0° |
| C11 | C04 | C03 | H1 | 179.4° | 180.0° |
| C11 | C04 | C05 | H2 | 179.5° | 180.0° |
| C04 | C11 | N10 | H4 | 180.0° | 179.9° |
| C05 | C04 | C11 | N10 | 0.3° | 0.0° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| C04 | C05 | C06 | N10 | 0.5° | 0.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | C04 | C03 | H1 | 0.2° | 0.1° |
| C11 | N10 | C06 | C05 | 0.4° | 0.0° |
| C11 | N10 | C06 | H4 | 180.0° | 180.0° |
| C11 | N10 | C06 | C07 | 179.3° | 180.0° |
| C05 | C06 | N10 | C07 | 178.9° | 180.0° |
| C05 | C06 | C07 | O09 | 4.5° | 0.0° |
| C05 | C06 | C07 | O08 | 158.3° | 180.0° |
| C05 | C06 | N10 | H4 | 179.6° | 180.0° |
| N10 | C06 | C07 | O09 | 176.8° | 179.9° |
| N10 | C06 | C07 | O08 | 20.4° | 0.0° |
| N10 | C06 | C05 | H2 | 179.5° | 180.0° |
| C06 | C07 | O09 | O08 | 163.1° | 180.0° |
| C07 | C06 | C05 | H2 | 0.7° | 0.0° |
| C06 | C07 | O08 | H3 | 165.3° | 180.0° |
| C07 | C06 | N10 | H4 | 0.7° | 0.0° |
| O09 | C07 | O08 | H3 | 0.0° | 0.0° |
