A6Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C01 | sing | 1.36Å | 1.42Å | |
| C06 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.36Å | Aromatic |
| C02 | O15 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.52Å | |
| C07 | N08 | doub | 1.30Å | 1.21Å | |
| N08 | N09 | sing | 1.40Å | 1.38Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| N09 | C10 | sing | 1.35Å | 1.44Å | |
| N12 | C10 | sing | 1.35Å | 1.45Å | |
| N12 | C13 | sing | 1.46Å | 1.45Å | |
| C10 | S11 | doub | 1.71Å | 1.58Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C01 | C06 | 122.3° | 119.9° |
| O16 | C01 | C02 | 119.4° | 119.9° |
| C01 | O16 | H161 | 109.5° | 114.1° |
| C01 | C06 | C05 | 123.0° | 120.1° |
| C06 | C01 | C02 | 118.1° | 120.2° |
| C01 | C06 | H061 | 118.5° | 120.0° |
| C06 | C05 | C04 | 117.6° | 120.0° |
| C06 | C05 | H051 | 121.2° | 120.0° |
| C05 | C06 | H061 | 118.5° | 119.9° |
| C01 | C02 | O15 | 120.8° | 120.0° |
| C01 | C02 | C03 | 119.5° | 120.0° |
| C05 | C04 | C03 | 120.3° | 119.9° |
| C05 | C04 | C07 | 123.0° | 120.1° |
| C04 | C05 | H051 | 121.2° | 120.0° |
| O15 | C02 | C03 | 119.7° | 120.0° |
| C02 | O15 | H151 | 109.5° | 114.0° |
| C02 | C03 | C04 | 121.5° | 119.8° |
| C02 | C03 | H031 | 119.3° | 120.1° |
| C03 | C04 | C07 | 116.7° | 120.0° |
| C04 | C03 | H031 | 119.3° | 120.1° |
| C04 | C07 | N08 | 113.8° | 120.0° |
| C04 | C07 | H071 | 123.1° | 120.0° |
| C07 | N08 | N09 | 124.3° | 120.0° |
| N08 | C07 | H071 | 123.1° | 120.0° |
| N08 | N09 | C10 | 119.0° | 120.0° |
| N08 | N09 | H091 | 120.5° | 120.0° |
| C14 | C13 | N12 | 113.5° | 109.5° |
| C14 | C13 | H131 | 108.4° | 109.4° |
| C14 | C13 | H132 | 108.5° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| N09 | C10 | N12 | 123.8° | 120.0° |
| N09 | C10 | S11 | 117.2° | 120.0° |
| C10 | N09 | H091 | 120.5° | 120.0° |
| C10 | N12 | C13 | 118.8° | 120.0° |
| N12 | C10 | S11 | 119.0° | 120.0° |
| C10 | N12 | H121 | 120.6° | 120.0° |
| C13 | N12 | H121 | 120.6° | 120.0° |
| N12 | C13 | H131 | 108.5° | 109.5° |
| N12 | C13 | H132 | 108.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C01 | C06 | C02 | 176.5° | 179.8° |
| O16 | C01 | C06 | C05 | 177.3° | 179.8° |
| O16 | C01 | C02 | O15 | 3.0° | 0.2° |
| O16 | C01 | C02 | C03 | 177.6° | 179.8° |
| O16 | C01 | C06 | H061 | 2.7° | 0.2° |
| C01 | C06 | C05 | H061 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.3° | 0.0° |
| C06 | C01 | C02 | O15 | 179.6° | 180.0° |
| C06 | C01 | C02 | C03 | 1.1° | 0.0° |
| C01 | C06 | C05 | H051 | 179.7° | 180.0° |
| C06 | C01 | O16 | H161 | 180.0° | 90.2° |
| C05 | C06 | C01 | C02 | 0.8° | 0.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | C07 | 179.8° | 180.0° |
| C01 | C02 | O15 | C03 | 179.3° | 179.9° |
| C01 | C02 | C03 | C04 | 0.9° | 0.0° |
| C01 | C02 | C03 | H031 | 179.1° | 179.9° |
| C02 | C01 | C06 | H061 | 179.2° | 179.9° |
| C01 | C02 | O15 | H151 | 180.0° | 90.0° |
| C02 | C01 | O16 | H161 | 3.6° | 90.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | C07 | 179.9° | 180.0° |
| C05 | C04 | C07 | N08 | 167.1° | 0.1° |
| C05 | C04 | C03 | H031 | 179.6° | 180.0° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C05 | C04 | C07 | H071 | 12.9° | 180.0° |
| O15 | C02 | C03 | C04 | 179.8° | 180.0° |
| O15 | C02 | C03 | H031 | 0.2° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 179.5° | 180.0° |
| C03 | C02 | O15 | H151 | 0.7° | 90.0° |
| C03 | C04 | C07 | N08 | 13.0° | 180.0° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C03 | C04 | C07 | H071 | 167.0° | 0.0° |
| C04 | C07 | N08 | H071 | 180.0° | 179.9° |
| C04 | C07 | N08 | N09 | 179.5° | 180.0° |
| C07 | C04 | C03 | H031 | 0.5° | 0.0° |
| C07 | C04 | C05 | H051 | 0.2° | 0.0° |
| C07 | N08 | N09 | C10 | 142.1° | 180.0° |
| C07 | N08 | N09 | H091 | 37.9° | 0.0° |
| N08 | N09 | C10 | H091 | 180.0° | 180.0° |
| N08 | N09 | C10 | N12 | 2.7° | 0.3° |
| N08 | N09 | C10 | S11 | 180.0° | 180.0° |
| N09 | N08 | C07 | H071 | 0.5° | 0.1° |
| C14 | C13 | N12 | C10 | 111.9° | 180.0° |
| C14 | C13 | N12 | H131 | 120.6° | 120.0° |
| C14 | C13 | N12 | H132 | 120.6° | 120.0° |
| C14 | C13 | N12 | H121 | 68.0° | 0.0° |
| C14 | C13 | H131 | H132 | 118.1° | 119.9° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 119.9° |
| N09 | C10 | N12 | S11 | 177.3° | 179.8° |
| N09 | C10 | N12 | C13 | 178.3° | 179.7° |
| N09 | C10 | N12 | H121 | 1.7° | 0.3° |
| C10 | N12 | C13 | H121 | 180.0° | 180.0° |
| C10 | N12 | C13 | H131 | 8.6° | 60.0° |
| C10 | N12 | C13 | H132 | 127.4° | 60.0° |
| N12 | C10 | N09 | H091 | 177.3° | 179.7° |
| C13 | N12 | C10 | S11 | 1.0° | 0.0° |
| N12 | C13 | H131 | H132 | 118.2° | 120.1° |
| N12 | C13 | C14 | H142 | 180.0° | 60.0° |
| N12 | C13 | C14 | H141 | 60.0° | 180.0° |
| N12 | C13 | C14 | H143 | 60.0° | 60.0° |
| S11 | C10 | N12 | H121 | 179.0° | 180.0° |
| S11 | C10 | N09 | H091 | 0.0° | 0.0° |
| H121 | N12 | C13 | H131 | 171.4° | 120.0° |
| H121 | N12 | C13 | H132 | 52.6° | 120.0° |
| H131 | C13 | C14 | H142 | 59.4° | 60.0° |
| H131 | C13 | C14 | H141 | 60.6° | 60.0° |
| H131 | C13 | C14 | H143 | 179.4° | 180.0° |
| H132 | C13 | C14 | H142 | 59.4° | 180.0° |
| H132 | C13 | C14 | H141 | 179.4° | 60.0° |
| H132 | C13 | C14 | H143 | 60.6° | 60.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.1° |
| H142 | C14 | H141 | H143 | 120.0° | 120.1° |
