ZQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C12 | doub | 1.22Å | 1.18Å | |
| N13 | C12 | sing | 1.35Å | 1.45Å | |
| C12 | N11 | sing | 1.35Å | 1.46Å | |
| N11 | C10 | sing | 1.40Å | 1.46Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | S04 | sing | 1.76Å | 1.82Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | S04 | sing | 1.81Å | 1.82Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| 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 | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C12 | N13 | 118.8° | 120.1° |
| O14 | C12 | N11 | 122.2° | 120.0° |
| N13 | C12 | N11 | 119.0° | 120.0° |
| C12 | N13 | H13 | 120.0° | 120.0° |
| C12 | N13 | H14 | 120.0° | 120.0° |
| C12 | N11 | C10 | 124.8° | 120.0° |
| C12 | N11 | H12 | 117.6° | 120.0° |
| N11 | C10 | C09 | 119.9° | 120.1° |
| N11 | C10 | C05 | 120.4° | 120.1° |
| C10 | N11 | H12 | 117.6° | 120.0° |
| C03 | C02 | S04 | 109.0° | 109.4° |
| C03 | C02 | C01 | 112.4° | 109.5° |
| C03 | C02 | H4 | 109.7° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C10 | C09 | C08 | 120.4° | 120.0° |
| C09 | C10 | C05 | 119.6° | 119.8° |
| C10 | C09 | H11 | 119.8° | 120.0° |
| C09 | C08 | C07 | 119.8° | 120.2° |
| C09 | C08 | H10 | 120.1° | 119.9° |
| C08 | C09 | H11 | 119.8° | 120.0° |
| C10 | C05 | S04 | 121.6° | 120.1° |
| C10 | C05 | C06 | 119.7° | 119.8° |
| C08 | C07 | C06 | 120.3° | 120.2° |
| C08 | C07 | H9 | 119.8° | 120.0° |
| C07 | C08 | H10 | 120.1° | 119.8° |
| S04 | C05 | C06 | 118.7° | 120.1° |
| C05 | S04 | C02 | 111.3° | 103.0° |
| C05 | C06 | C07 | 120.1° | 119.9° |
| C05 | C06 | H8 | 119.9° | 120.0° |
| S04 | C02 | C01 | 109.4° | 109.4° |
| S04 | C02 | H4 | 106.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 109.7° | 109.5° |
| C07 | C06 | H8 | 120.0° | 120.1° |
| C06 | C07 | H9 | 119.8° | 119.8° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H5 | C03 | H7 | 109.5° | 109.6° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H13 | N13 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C12 | N13 | N11 | 179.9° | 179.9° |
| O14 | C12 | N11 | C10 | 0.7° | 5.4° |
| O14 | C12 | N11 | H12 | 179.3° | 174.6° |
| O14 | C12 | N13 | H13 | 0.0° | 180.0° |
| O14 | C12 | N13 | H14 | 180.0° | 0.0° |
| N13 | C12 | N11 | C10 | 179.4° | 174.6° |
| N13 | C12 | N11 | H12 | 0.6° | 5.5° |
| C12 | N13 | H13 | H14 | 180.0° | 180.0° |
| C12 | N11 | C10 | H12 | 180.0° | 179.9° |
| C12 | N11 | C10 | C09 | 37.4° | 19.1° |
| C12 | N11 | C10 | C05 | 147.4° | 160.6° |
| N11 | C12 | N13 | H13 | 179.9° | 0.0° |
| N11 | C12 | N13 | H14 | 0.2° | 180.0° |
| N11 | C10 | C09 | C05 | 175.3° | 179.7° |
| N11 | C10 | C09 | C08 | 177.7° | 179.7° |
| N11 | C10 | C05 | S04 | 2.2° | 0.3° |
| N11 | C10 | C05 | C06 | 177.8° | 179.8° |
| N11 | C10 | C09 | H11 | 2.3° | 0.3° |
| C03 | C02 | S04 | C05 | 86.0° | 171.1° |
| C03 | C02 | S04 | C01 | 123.3° | 120.0° |
| C03 | C02 | S04 | H4 | 118.2° | 120.0° |
| C03 | C02 | C01 | H4 | 122.3° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 54.3° |
| C03 | C02 | C01 | H2 | 60.0° | 65.6° |
| C03 | C02 | C01 | H3 | 60.0° | 174.4° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H7 | 120.0° | 120.1° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C10 | C09 | C08 | H11 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 1.8° | 0.0° |
| C09 | C10 | C05 | S04 | 177.6° | 180.0° |
| C09 | C10 | C05 | C06 | 2.5° | 0.1° |
| C10 | C09 | C08 | H10 | 178.2° | 179.9° |
| C09 | C10 | N11 | H12 | 142.6° | 161.0° |
| C08 | C09 | C10 | C05 | 2.4° | 0.1° |
| C09 | C08 | C07 | H10 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 1.4° | 0.0° |
| C09 | C08 | C07 | H9 | 178.6° | 180.0° |
| C10 | C05 | S04 | C06 | 179.9° | 179.9° |
| C10 | C05 | S04 | C02 | 126.5° | 174.1° |
| C10 | C05 | C06 | C07 | 2.1° | 0.1° |
| C10 | C05 | C06 | H8 | 177.9° | 180.0° |
| C05 | C10 | C09 | H11 | 177.7° | 180.0° |
| C05 | C10 | N11 | H12 | 32.6° | 19.3° |
| C08 | C07 | C06 | C05 | 1.5° | 0.0° |
| C08 | C07 | C06 | H9 | 180.0° | 180.0° |
| C08 | C07 | C06 | H8 | 178.5° | 180.0° |
| C07 | C08 | C09 | H11 | 178.3° | 180.0° |
| C05 | S04 | C02 | C01 | 150.7° | 68.9° |
| S04 | C05 | C06 | C07 | 178.0° | 180.0° |
| C05 | S04 | C02 | H4 | 32.3° | 51.1° |
| S04 | C05 | C06 | H8 | 2.0° | 0.0° |
| C06 | C05 | S04 | C02 | 53.5° | 5.8° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C05 | C06 | C07 | H9 | 178.5° | 180.0° |
| S04 | C02 | C01 | H4 | 116.4° | 120.0° |
| S04 | C02 | C01 | H1 | 58.8° | 65.6° |
| S04 | C02 | C01 | H2 | 178.8° | 174.4° |
| S04 | C02 | C01 | H3 | 61.3° | 54.4° |
| S04 | C02 | C03 | H5 | 180.0° | 60.1° |
| S04 | C02 | C03 | H6 | 60.0° | 180.0° |
| S04 | C02 | C03 | H7 | 60.0° | 60.0° |
| 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 | C03 | H5 | 58.5° | 180.0° |
| C01 | C02 | C03 | H6 | 178.5° | 60.0° |
| C01 | C02 | C03 | H7 | 61.5° | 59.9° |
| C06 | C07 | C08 | H10 | 178.6° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 57.7° | 174.4° |
| H2 | C01 | C02 | H4 | 62.3° | 54.4° |
| H3 | C01 | C02 | H4 | 177.7° | 65.6° |
| H4 | C02 | C03 | H5 | 63.8° | 59.9° |
| H4 | C02 | C03 | H6 | 56.2° | 60.0° |
| H4 | C02 | C03 | H7 | 176.2° | 180.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.1° |
| H8 | C06 | C07 | H9 | 1.5° | 0.0° |
| H9 | C07 | C08 | H10 | 1.4° | 0.1° |
| H10 | C08 | C09 | H11 | 1.8° | 0.0° |
