Q7A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL14 | C03 | sing | 1.74Å | 1.79Å | |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| N07 | C04 | sing | 1.39Å | 1.53Å | |
| N07 | C08 | sing | 1.32Å | 1.52Å | |
| O11 | C08 | doub | 1.22Å | 1.14Å | |
| C02 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.37Å | Aromatic |
| C08 | N09 | sing | 1.35Å | 1.45Å | |
| C01 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.37Å | 1.36Å | Aromatic |
| C05 | S10 | sing | 1.77Å | 1.63Å | |
| N09 | S10 | sing | 1.68Å | 1.58Å | |
| S10 | O13 | doub | 1.42Å | 1.45Å | |
| S10 | O12 | doub | 1.42Å | 1.48Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N09 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL14 | C03 | C02 | 122.5° | 120.1° |
| CL14 | C03 | C04 | 120.4° | 120.0° |
| C02 | C03 | C04 | 116.9° | 119.9° |
| C03 | C02 | C01 | 119.3° | 120.9° |
| C03 | C02 | H021 | 120.4° | 119.5° |
| C03 | C04 | N07 | 115.7° | 121.4° |
| C03 | C04 | C05 | 124.3° | 118.2° |
| C04 | N07 | C08 | 118.1° | 130.5° |
| N07 | C04 | C05 | 120.0° | 120.4° |
| C04 | N07 | H071 | 121.0° | 114.7° |
| N07 | C08 | O11 | 114.4° | 116.7° |
| N07 | C08 | N09 | 124.4° | 126.5° |
| C08 | N07 | H071 | 120.9° | 114.8° |
| O11 | C08 | N09 | 121.2° | 116.8° |
| C02 | C01 | C06 | 120.0° | 119.8° |
| C02 | C01 | H011 | 120.0° | 120.1° |
| C01 | C02 | H021 | 120.3° | 119.6° |
| C04 | C05 | C06 | 117.6° | 122.1° |
| C04 | C05 | S10 | 123.9° | 115.1° |
| C08 | N09 | S10 | 117.3° | 114.8° |
| C08 | N09 | H1 | 121.3° | 122.6° |
| C01 | C06 | C05 | 120.2° | 119.2° |
| C06 | C01 | H011 | 120.0° | 120.2° |
| C01 | C06 | H061 | 119.9° | 120.5° |
| C06 | C05 | S10 | 118.3° | 122.8° |
| C05 | C06 | H061 | 119.9° | 120.4° |
| C05 | S10 | N09 | 113.6° | 112.7° |
| C05 | S10 | O13 | 111.5° | 105.6° |
| C05 | S10 | O12 | 104.7° | 105.5° |
| N09 | S10 | O13 | 115.7° | 105.6° |
| N09 | S10 | O12 | 97.5° | 105.5° |
| S10 | N09 | H1 | 121.4° | 122.6° |
| O13 | S10 | O12 | 112.4° | 122.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL14 | C03 | C02 | C04 | 175.8° | 180.0° |
| CL14 | C03 | C04 | N07 | 2.4° | 0.0° |
| CL14 | C03 | C02 | C01 | 170.8° | 180.0° |
| CL14 | C03 | C04 | C05 | 177.4° | 180.0° |
| CL14 | C03 | C02 | H021 | 9.2° | 0.1° |
| C02 | C03 | C04 | N07 | 173.4° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 6.8° | 0.0° |
| C03 | C02 | C01 | C06 | 15.6° | 0.0° |
| C03 | C02 | C01 | H011 | 164.4° | 179.7° |
| C03 | C04 | N07 | C05 | 179.8° | 180.0° |
| C03 | C04 | N07 | C08 | 176.3° | 180.0° |
| C04 | C03 | C02 | C01 | 13.4° | 0.0° |
| C03 | C04 | C05 | C06 | 1.7° | 0.0° |
| C03 | C04 | C05 | S10 | 173.4° | 180.0° |
| C04 | C03 | C02 | H021 | 166.6° | 179.9° |
| C03 | C04 | N07 | H071 | 3.7° | 0.0° |
| C04 | N07 | C08 | H071 | 180.0° | 180.0° |
| C04 | N07 | C08 | O11 | 175.8° | 180.0° |
| C04 | N07 | C08 | N09 | 2.0° | 0.1° |
| N07 | C04 | C05 | C06 | 178.6° | 180.0° |
| N07 | C04 | C05 | S10 | 6.4° | 0.0° |
| N07 | C08 | O11 | N09 | 177.9° | 180.0° |
| C08 | N07 | C04 | C05 | 3.9° | 0.0° |
| N07 | C08 | N09 | S10 | 9.7° | 0.1° |
| N07 | C08 | N09 | H1 | 170.3° | 180.0° |
| O11 | C08 | N09 | S10 | 172.6° | 180.0° |
| O11 | C08 | N07 | H071 | 4.2° | 0.0° |
| O11 | C08 | N09 | H1 | 7.4° | 0.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.6° |
| C02 | C01 | C06 | C05 | 10.4° | 0.0° |
| C02 | C01 | C06 | H061 | 169.6° | 179.6° |
| C04 | C05 | C06 | C01 | 3.4° | 0.0° |
| C04 | C05 | C06 | S10 | 175.3° | 179.9° |
| C04 | C05 | S10 | N09 | 17.4° | 0.0° |
| C04 | C05 | S10 | O13 | 150.3° | 114.7° |
| C04 | C05 | S10 | O12 | 87.8° | 114.7° |
| C04 | C05 | C06 | H061 | 176.6° | 179.7° |
| C05 | C04 | N07 | H071 | 176.1° | 180.0° |
| C08 | N09 | S10 | C05 | 18.0° | 0.1° |
| C08 | N09 | S10 | H1 | 180.0° | 179.9° |
| C08 | N09 | S10 | O13 | 148.9° | 114.6° |
| C08 | N09 | S10 | O12 | 91.7° | 114.8° |
| N09 | C08 | N07 | H071 | 178.0° | 179.9° |
| C01 | C06 | C05 | H061 | 180.0° | 179.6° |
| C01 | C06 | C05 | S10 | 172.0° | 180.0° |
| C06 | C01 | C02 | H021 | 164.4° | 179.9° |
| C06 | C05 | S10 | N09 | 167.6° | 180.0° |
| C06 | C05 | S10 | O13 | 34.6° | 65.3° |
| C06 | C05 | S10 | O12 | 87.2° | 65.3° |
| C05 | C06 | C01 | H011 | 169.6° | 179.6° |
| C05 | S10 | N09 | O13 | 130.9° | 114.7° |
| C05 | S10 | N09 | O12 | 109.7° | 114.7° |
| C05 | S10 | O13 | O12 | 117.3° | 120.2° |
| S10 | C05 | C06 | H061 | 8.0° | 0.4° |
| C05 | S10 | N09 | H1 | 162.0° | 180.0° |
| N09 | S10 | O13 | O12 | 110.8° | 120.2° |
| O13 | S10 | N09 | H1 | 31.1° | 65.3° |
| O12 | S10 | N09 | H1 | 88.3° | 65.3° |
| H011 | C01 | C02 | H021 | 15.6° | 0.4° |
| H011 | C01 | C06 | H061 | 10.4° | 0.0° |
