6Q3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.38Å | 1.33Å | |
| C2 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | O3' | sing | 1.36Å | 1.36Å | |
| O1' | C1' | sing | 1.43Å | 1.40Å | |
| C1' | C2' | sing | 1.53Å | 1.48Å | |
| C2' | C3' | sing | 1.53Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O1' | H1' | sing | 0.97Å | 0.95Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N3 | C4 | 115.6° | 120.6° |
| N3 | C2 | N2 | 117.4° | 119.2° |
| N3 | C2 | N1 | 125.4° | 121.7° |
| N3 | C4 | C5 | 123.7° | 119.1° |
| N3 | C4 | O3' | 121.0° | 120.5° |
| N2 | C2 | N1 | 117.2° | 119.2° |
| C2 | N2 | H21N | 109.5° | 120.0° |
| C2 | N2 | H22N | 109.5° | 120.0° |
| C2 | N1 | C6 | 117.1° | 120.9° |
| N1 | C6 | C7 | 116.6° | 120.4° |
| N1 | C6 | C5 | 121.5° | 119.3° |
| C7 | C6 | C5 | 121.9° | 120.4° |
| C6 | C7 | H71C | 109.5° | 109.5° |
| C6 | C7 | H72C | 109.5° | 109.4° |
| C6 | C7 | H73C | 109.5° | 109.5° |
| C6 | C5 | C4 | 116.7° | 118.5° |
| C6 | C5 | H5 | 121.7° | 120.8° |
| C5 | C4 | O3' | 115.3° | 120.4° |
| C4 | C5 | H5 | 121.6° | 120.8° |
| C4 | O3' | C3' | 118.2° | 117.0° |
| O1' | C1' | C2' | 105.4° | 109.5° |
| C1' | O1' | H1' | 109.5° | 114.0° |
| O1' | C1' | H1'1 | 110.5° | 109.5° |
| O1' | C1' | H1'2 | 110.5° | 109.5° |
| C1' | C2' | C3' | 110.5° | 109.5° |
| C2' | C1' | H1'1 | 110.5° | 109.5° |
| C2' | C1' | H1'2 | 110.5° | 109.4° |
| C1' | C2' | H2'1 | 109.2° | 109.5° |
| C1' | C2' | H2'2 | 109.2° | 109.5° |
| C2' | C3' | O3' | 106.9° | 109.5° |
| C3' | C2' | H2'1 | 109.2° | 109.5° |
| C3' | C2' | H2'2 | 109.2° | 109.5° |
| C2' | C3' | H3'1 | 110.1° | 109.5° |
| C2' | C3' | H3'2 | 110.1° | 109.5° |
| O3' | C3' | H3'1 | 110.1° | 109.4° |
| O3' | C3' | H3'2 | 110.1° | 109.4° |
| H21N | N2 | H22N | 109.5° | 120.0° |
| H71C | C7 | H72C | 109.5° | 109.4° |
| H71C | C7 | H73C | 109.4° | 109.5° |
| H72C | C7 | H73C | 109.5° | 109.5° |
| H1'1 | C1' | H1'2 | 109.5° | 109.5° |
| H2'1 | C2' | H2'2 | 109.5° | 109.4° |
| H3'1 | C3' | H3'2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N2 | N1 | 179.5° | 180.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.1° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| C2 | N3 | C4 | O3' | 179.2° | 179.9° |
| N3 | C2 | N2 | H21N | 0.0° | 0.1° |
| N3 | C2 | N2 | H22N | 120.0° | 180.0° |
| C4 | N3 | C2 | N2 | 179.4° | 180.0° |
| C4 | N3 | C2 | N1 | 1.1° | 0.1° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | O3' | 179.7° | 179.9° |
| N3 | C4 | O3' | C3' | 0.2° | 0.0° |
| N3 | C4 | C5 | H5 | 179.6° | 179.9° |
| N2 | C2 | N1 | C6 | 180.0° | 180.0° |
| C2 | N2 | H21N | H22N | 120.0° | 179.9° |
| C2 | N1 | C6 | C7 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | C2 | N2 | H21N | 179.5° | 179.9° |
| N1 | C2 | N2 | H22N | 59.5° | 0.1° |
| N1 | C6 | C7 | C5 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C7 | H71C | 0.0° | 90.0° |
| N1 | C6 | C7 | H72C | 120.0° | 150.0° |
| N1 | C6 | C7 | H73C | 120.0° | 30.0° |
| N1 | C6 | C5 | H5 | 179.8° | 179.9° |
| C7 | C6 | C5 | C4 | 179.9° | 180.0° |
| C6 | C7 | H71C | H72C | 120.1° | 119.9° |
| C6 | C7 | H71C | H73C | 120.0° | 120.0° |
| C6 | C7 | H72C | H73C | 120.0° | 120.0° |
| C7 | C6 | C5 | H5 | 0.1° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | O3' | 179.8° | 179.9° |
| C5 | C6 | C7 | H71C | 179.8° | 89.9° |
| C5 | C6 | C7 | H72C | 60.1° | 30.0° |
| C5 | C6 | C7 | H73C | 59.9° | 150.0° |
| C5 | C4 | O3' | C3' | 180.0° | 179.9° |
| C4 | O3' | C3' | C2' | 172.7° | 180.0° |
| O3' | C4 | C5 | H5 | 0.2° | 0.2° |
| C4 | O3' | C3' | H3'1 | 53.1° | 59.9° |
| C4 | O3' | C3' | H3'2 | 67.7° | 60.0° |
| O1' | C1' | C2' | H1'1 | 119.4° | 120.0° |
| O1' | C1' | C2' | H1'2 | 119.3° | 120.0° |
| O1' | C1' | C2' | C3' | 90.3° | 180.0° |
| O1' | C1' | H1'1 | H1'2 | 121.9° | 120.0° |
| O1' | C1' | C2' | H2'1 | 29.8° | 59.9° |
| O1' | C1' | C2' | H2'2 | 149.5° | 59.9° |
| C1' | C2' | C3' | H2'1 | 120.2° | 120.0° |
| C1' | C2' | C3' | H2'2 | 120.2° | 120.0° |
| C1' | C2' | C3' | O3' | 159.8° | 180.0° |
| C2' | C1' | O1' | H1' | 180.0° | 179.9° |
| C2' | C1' | H1'1 | H1'2 | 121.9° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 119.5° | 119.9° |
| C1' | C2' | C3' | H3'1 | 80.5° | 60.0° |
| C1' | C2' | C3' | H3'2 | 40.2° | 60.0° |
| C2' | C3' | O3' | H3'1 | 119.6° | 120.0° |
| C2' | C3' | O3' | H3'2 | 119.6° | 120.0° |
| C3' | C2' | C1' | H1'1 | 150.3° | 60.0° |
| C3' | C2' | C1' | H1'2 | 29.0° | 60.0° |
| C3' | C2' | H2'1 | H2'2 | 119.5° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 121.2° | 120.1° |
| O3' | C3' | C2' | H2'1 | 39.7° | 60.0° |
| O3' | C3' | C2' | H2'2 | 80.0° | 60.0° |
| O3' | C3' | H3'1 | H3'2 | 121.2° | 120.0° |
| H71C | C7 | H72C | H73C | 119.9° | 120.1° |
| H1' | O1' | C1' | H1'1 | 60.6° | 60.1° |
| H1' | O1' | C1' | H1'2 | 60.7° | 60.0° |
| H1'1 | C1' | C2' | H2'1 | 89.6° | 179.9° |
| H1'1 | C1' | C2' | H2'2 | 30.1° | 60.0° |
| H1'2 | C1' | C2' | H2'1 | 149.2° | 60.1° |
| H1'2 | C1' | C2' | H2'2 | 91.2° | 180.0° |
| H2'1 | C2' | C3' | H3'1 | 159.3° | 180.0° |
| H2'1 | C2' | C3' | H3'2 | 79.9° | 60.0° |
| H2'2 | C2' | C3' | H3'1 | 39.6° | 60.0° |
| H2'2 | C2' | C3' | H3'2 | 160.4° | 180.0° |
