Q0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C10 | sing | 1.38Å | 1.43Å | |
| N11 | C10 | doub | 1.33Å | 1.32Å | Aromatic |
| N11 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | C07 | sing | 1.41Å | 1.39Å | Aromatic |
| C12 | N13 | doub | 1.32Å | 1.29Å | Aromatic |
| C07 | C08 | sing | 1.43Å | 1.49Å | |
| C07 | C06 | doub | 1.41Å | 1.41Å | Aromatic |
| N13 | C06 | sing | 1.33Å | 1.33Å | Aromatic |
| C08 | N09 | trip | 1.14Å | 1.14Å | |
| C06 | C05 | sing | 1.48Å | 1.53Å | |
| C05 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C04 | N03 | sing | 1.35Å | 1.35Å | Aromatic |
| C15 | N16 | doub | 1.31Å | 1.35Å | Aromatic |
| N03 | N16 | sing | 1.40Å | 1.36Å | Aromatic |
| N03 | C02 | sing | 1.47Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.60Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C10 | N11 | 119.2° | 120.6° |
| N14 | C10 | C07 | 120.4° | 120.6° |
| C10 | N14 | H9 | 109.5° | 120.0° |
| C10 | N14 | H10 | 109.5° | 120.0° |
| C10 | N11 | C12 | 120.0° | 121.1° |
| N11 | C10 | C07 | 120.3° | 118.8° |
| N11 | C12 | N13 | 121.6° | 122.4° |
| N11 | C12 | H8 | 119.2° | 118.9° |
| C10 | C07 | C08 | 119.6° | 121.1° |
| C10 | C07 | C06 | 117.5° | 117.9° |
| C12 | N13 | C06 | 122.9° | 121.0° |
| N13 | C12 | H8 | 119.2° | 118.7° |
| C08 | C07 | C06 | 122.9° | 121.1° |
| C07 | C08 | N09 | 179.8° | 180.0° |
| C07 | C06 | N13 | 117.6° | 118.8° |
| C07 | C06 | C05 | 122.8° | 120.6° |
| N13 | C06 | C05 | 119.5° | 120.6° |
| C06 | C05 | C04 | 128.0° | 126.4° |
| C06 | C05 | C15 | 125.3° | 126.4° |
| C04 | C05 | C15 | 106.7° | 107.2° |
| C05 | C04 | N03 | 107.8° | 107.4° |
| C05 | C04 | H7 | 126.1° | 126.3° |
| C05 | C15 | N16 | 107.7° | 108.1° |
| C05 | C15 | H1 | 126.2° | 125.9° |
| C04 | N03 | N16 | 110.0° | 108.5° |
| C04 | N03 | C02 | 124.8° | 125.8° |
| N03 | C04 | H7 | 126.1° | 126.3° |
| C15 | N16 | N03 | 107.8° | 108.8° |
| N16 | C15 | H1 | 126.2° | 125.9° |
| N16 | N03 | C02 | 125.2° | 125.8° |
| N03 | C02 | C01 | 110.8° | 109.4° |
| N03 | C02 | H5 | 109.1° | 109.4° |
| N03 | C02 | H6 | 109.2° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C01 | C02 | H5 | 109.1° | 109.5° |
| C01 | C02 | H6 | 109.1° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C02 | H6 | 109.4° | 109.5° |
| H9 | N14 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C10 | N11 | C07 | 179.1° | 179.7° |
| N14 | C10 | N11 | C12 | 178.8° | 179.7° |
| N14 | C10 | C07 | C08 | 0.8° | 0.3° |
| N14 | C10 | C07 | C06 | 179.5° | 179.8° |
| C10 | N14 | H9 | H10 | 120.0° | 180.0° |
| C10 | N11 | C12 | N13 | 0.7° | 0.0° |
| N11 | C10 | C07 | C08 | 179.9° | 180.0° |
| N11 | C10 | C07 | C06 | 0.4° | 0.0° |
| C10 | N11 | C12 | H8 | 179.3° | 180.0° |
| N11 | C10 | N14 | H9 | 0.0° | 179.7° |
| N11 | C10 | N14 | H10 | 120.0° | 0.3° |
| C12 | N11 | C10 | C07 | 0.4° | 0.0° |
| N11 | C12 | N13 | H8 | 180.0° | 180.0° |
| N11 | C12 | N13 | C06 | 0.3° | 0.0° |
| C10 | C07 | C08 | C06 | 179.7° | 179.9° |
| C10 | C07 | C06 | N13 | 0.8° | 0.1° |
| C10 | C07 | C08 | N09 | 138.5° | 34.1° |
| C10 | C07 | C06 | C05 | 179.4° | 180.0° |
| C07 | C10 | N14 | H9 | 179.1° | 0.0° |
| C07 | C10 | N14 | H10 | 59.1° | 180.0° |
| C12 | N13 | C06 | C07 | 0.4° | 0.1° |
| C12 | N13 | C06 | C05 | 179.2° | 180.0° |
| C08 | C07 | C06 | N13 | 179.5° | 180.0° |
| C08 | C07 | C06 | C05 | 0.9° | 0.1° |
| C07 | C06 | N13 | C05 | 178.7° | 179.9° |
| C06 | C07 | C08 | N09 | 41.8° | 146.0° |
| C07 | C06 | C05 | C04 | 3.8° | 145.0° |
| C07 | C06 | C05 | C15 | 178.8° | 35.1° |
| N13 | C06 | C05 | C04 | 174.9° | 34.9° |
| N13 | C06 | C05 | C15 | 2.6° | 145.0° |
| C06 | N13 | C12 | H8 | 179.7° | 180.0° |
| C06 | C05 | C04 | C15 | 177.9° | 179.9° |
| C06 | C05 | C04 | N03 | 179.0° | 179.8° |
| C06 | C05 | C15 | N16 | 179.2° | 180.0° |
| C06 | C05 | C15 | H1 | 0.8° | 0.2° |
| C06 | C05 | C04 | H7 | 1.0° | 0.2° |
| C05 | C04 | N03 | H7 | 180.0° | 179.6° |
| C04 | C05 | C15 | N16 | 1.3° | 0.1° |
| C05 | C04 | N03 | N16 | 0.6° | 0.4° |
| C05 | C04 | N03 | C02 | 179.2° | 179.9° |
| C04 | C05 | C15 | H1 | 178.7° | 179.7° |
| C15 | C05 | C04 | N03 | 1.1° | 0.3° |
| C05 | C15 | N16 | H1 | 180.0° | 179.8° |
| C05 | C15 | N16 | N03 | 0.9° | 0.2° |
| C15 | C05 | C04 | H7 | 178.8° | 179.9° |
| C04 | N03 | N16 | C15 | 0.2° | 0.4° |
| C04 | N03 | N16 | C02 | 179.8° | 179.7° |
| C04 | N03 | C02 | C01 | 90.8° | 124.5° |
| C04 | N03 | C02 | H5 | 149.0° | 4.5° |
| C04 | N03 | C02 | H6 | 29.4° | 115.4° |
| C15 | N16 | N03 | C02 | 180.0° | 180.0° |
| N16 | N03 | C02 | C01 | 89.4° | 55.0° |
| N03 | N16 | C15 | H1 | 179.1° | 180.0° |
| N16 | N03 | C02 | H5 | 30.8° | 175.0° |
| N16 | N03 | C02 | H6 | 150.4° | 65.0° |
| N16 | N03 | C04 | H7 | 179.4° | 180.0° |
| N03 | C02 | C01 | H5 | 120.2° | 119.9° |
| N03 | C02 | C01 | H6 | 120.2° | 120.0° |
| N03 | C02 | C01 | H2 | 180.0° | 180.0° |
| N03 | C02 | C01 | H3 | 60.0° | 60.0° |
| N03 | C02 | C01 | H4 | 60.0° | 60.0° |
| N03 | C02 | H5 | H6 | 119.4° | 120.0° |
| C02 | N03 | C04 | H7 | 0.8° | 0.4° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 119.9° | 120.1° |
| C01 | C02 | H5 | H6 | 119.4° | 120.1° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 59.8° | 60.0° |
| H2 | C01 | C02 | H6 | 59.8° | 60.0° |
| H3 | C01 | C02 | H5 | 179.8° | 59.9° |
| H3 | C01 | C02 | H6 | 60.2° | 180.0° |
| H4 | C01 | C02 | H5 | 60.2° | 179.9° |
| H4 | C01 | C02 | H6 | 179.8° | 60.0° |
