C4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | N5 | sing | 1.31Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.37Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | CM | sing | 1.51Å | 1.54Å | |
| C4 | C10 | doub | 1.41Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | C9 | doub | 1.34Å | 1.33Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| CM | N1' | sing | 1.47Å | 1.52Å | |
| CM | HM | sing | 1.09Å | 1.10Å | |
| CM | HMA | sing | 1.09Å | 1.10Å | |
| C1' | N1' | sing | 1.47Å | 1.52Å | |
| C1' | C2' | sing | 1.53Å | 1.55Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| N1' | C8' | sing | 1.47Å | 1.51Å | |
| C2' | N2' | sing | 1.47Å | 1.48Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| N2' | C3' | sing | 1.47Å | 1.48Å | |
| N2' | HN2' | sing | 1.01Å | 1.00Å | |
| C3' | C4' | sing | 1.53Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| N3' | C4' | sing | 1.47Å | 1.50Å | |
| N3' | C5' | sing | 1.47Å | 1.49Å | |
| N3' | HN3' | sing | 1.01Å | 1.00Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| N4' | C6' | sing | 1.47Å | 1.48Å | |
| N4' | C7' | sing | 1.47Å | 1.48Å | |
| N4' | HN4' | sing | 1.01Å | 1.00Å | |
| C5' | C6' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| C7' | C8' | sing | 1.53Å | 1.54Å | |
| C7' | H7' | sing | 1.09Å | 1.10Å | |
| C7' | H7'A | sing | 1.09Å | 1.10Å | |
| C8' | H8' | sing | 1.09Å | 1.10Å | |
| C8' | H8'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | N5 | 120.0° | 121.7° |
| C3 | C2 | H2 | 120.0° | 119.1° |
| C2 | C3 | C4 | 118.4° | 119.9° |
| C2 | C3 | H3 | 120.8° | 120.1° |
| N5 | C2 | H2 | 120.0° | 119.1° |
| C2 | N5 | C9 | 126.8° | 121.3° |
| C4 | C3 | H3 | 120.8° | 120.0° |
| C3 | C4 | CM | 118.0° | 120.9° |
| C3 | C4 | C10 | 118.8° | 118.2° |
| CM | C4 | C10 | 122.7° | 120.9° |
| C4 | CM | N1' | 122.2° | 109.5° |
| C4 | CM | HM | 106.2° | 109.5° |
| C4 | CM | HMA | 106.2° | 109.5° |
| C4 | C10 | C5 | 123.8° | 121.4° |
| C4 | C10 | C9 | 119.8° | 119.0° |
| C6 | C5 | C10 | 121.2° | 119.6° |
| C6 | C5 | H5 | 119.4° | 120.2° |
| C5 | C6 | C7 | 121.0° | 120.9° |
| C5 | C6 | H6 | 119.5° | 119.5° |
| C10 | C5 | H5 | 119.4° | 120.2° |
| C5 | C10 | C9 | 116.5° | 119.6° |
| N5 | C9 | C8 | 120.9° | 121.1° |
| N5 | C9 | C10 | 116.0° | 119.8° |
| C7 | C6 | H6 | 119.5° | 119.6° |
| C6 | C7 | C8 | 120.4° | 121.0° |
| C6 | C7 | H7 | 119.8° | 119.4° |
| C8 | C7 | H7 | 119.8° | 119.5° |
| C7 | C8 | C9 | 117.9° | 119.8° |
| C7 | C8 | H8 | 121.1° | 120.1° |
| C9 | C8 | H8 | 121.0° | 120.2° |
| C8 | C9 | C10 | 123.1° | 119.1° |
| N1' | CM | HM | 106.2° | 109.5° |
| N1' | CM | HMA | 106.2° | 109.5° |
| CM | N1' | C1' | 105.0° | 111.0° |
| CM | N1' | C8' | 108.6° | 111.0° |
| HM | CM | HMA | 109.5° | 109.5° |
| N1' | C1' | C2' | 118.9° | 109.5° |
| N1' | C1' | H1' | 107.1° | 109.5° |
| N1' | C1' | H1'A | 107.1° | 109.5° |
| C1' | N1' | C8' | 105.5° | 111.0° |
| C2' | C1' | H1' | 107.0° | 109.5° |
| C2' | C1' | H1'A | 107.0° | 109.5° |
| C1' | C2' | N2' | 114.1° | 109.4° |
| C1' | C2' | H2' | 108.3° | 109.5° |
| C1' | C2' | H2'A | 108.3° | 109.5° |
| H1' | C1' | H1'A | 109.5° | 109.4° |
| N1' | C8' | C7' | 115.6° | 109.5° |
| N1' | C8' | H8' | 107.9° | 109.5° |
| N1' | C8' | H8'A | 107.9° | 109.5° |
| N2' | C2' | H2' | 108.3° | 109.5° |
| N2' | C2' | H2'A | 108.3° | 109.4° |
| C2' | N2' | C3' | 116.5° | 111.0° |
| C2' | N2' | HN2' | 107.7° | 111.0° |
| H2' | C2' | H2'A | 109.4° | 109.5° |
| C3' | N2' | HN2' | 107.7° | 111.0° |
| N2' | C3' | C4' | 111.9° | 109.5° |
| N2' | C3' | H3' | 108.9° | 109.5° |
| N2' | C3' | H3'A | 108.9° | 109.4° |
| C4' | C3' | H3' | 108.9° | 109.5° |
| C4' | C3' | H3'A | 108.9° | 109.4° |
| C3' | C4' | N3' | 116.9° | 109.4° |
| C3' | C4' | H4' | 107.6° | 109.5° |
| C3' | C4' | H4'A | 107.6° | 109.5° |
| H3' | C3' | H3'A | 109.5° | 109.5° |
| C4' | N3' | C5' | 111.3° | 111.0° |
| C4' | N3' | HN3' | 109.0° | 111.0° |
| N3' | C4' | H4' | 107.6° | 109.4° |
| N3' | C4' | H4'A | 107.6° | 109.5° |
| C5' | N3' | HN3' | 109.0° | 111.0° |
| N3' | C5' | C6' | 112.4° | 109.5° |
| N3' | C5' | H5' | 108.8° | 109.5° |
| N3' | C5' | H5'A | 108.7° | 109.5° |
| H4' | C4' | H4'A | 109.5° | 109.5° |
| C6' | N4' | C7' | 113.4° | 110.9° |
| C6' | N4' | HN4' | 108.5° | 111.0° |
| N4' | C6' | C5' | 109.3° | 109.4° |
| N4' | C6' | H6' | 109.5° | 109.5° |
| N4' | C6' | H6'A | 109.6° | 109.5° |
| C7' | N4' | HN4' | 108.5° | 111.0° |
| N4' | C7' | C8' | 110.6° | 109.4° |
| N4' | C7' | H7' | 109.2° | 109.5° |
| N4' | C7' | H7'A | 109.2° | 109.5° |
| C6' | C5' | H5' | 108.7° | 109.5° |
| C6' | C5' | H5'A | 108.7° | 109.5° |
| C5' | C6' | H6' | 109.5° | 109.5° |
| C5' | C6' | H6'A | 109.5° | 109.5° |
| H5' | C5' | H5'A | 109.5° | 109.4° |
| H6' | C6' | H6'A | 109.5° | 109.5° |
| C8' | C7' | H7' | 109.2° | 109.4° |
| C8' | C7' | H7'A | 109.2° | 109.5° |
| C7' | C8' | H8' | 107.9° | 109.5° |
| C7' | C8' | H8'A | 107.9° | 109.4° |
| H7' | C7' | H7'A | 109.5° | 109.5° |
| H8' | C8' | H8'A | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | N5 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | CM | 171.8° | 180.0° |
| C2 | C3 | C4 | C10 | 0.7° | 0.0° |
| C3 | C2 | N5 | C9 | 4.9° | 0.0° |
| N5 | C2 | C3 | C4 | 3.0° | 0.0° |
| N5 | C2 | C3 | H3 | 177.0° | 180.0° |
| C2 | N5 | C9 | C8 | 176.1° | 180.0° |
| C2 | N5 | C9 | C10 | 4.0° | 0.0° |
| H2 | C2 | C3 | C4 | 177.0° | 179.7° |
| H2 | C2 | C3 | H3 | 3.0° | 0.2° |
| H2 | C2 | N5 | C9 | 175.1° | 179.7° |
| C3 | C4 | CM | C10 | 172.2° | 180.0° |
| C3 | C4 | C10 | C5 | 179.6° | 180.0° |
| C3 | C4 | C10 | C9 | 0.1° | 0.0° |
| C3 | C4 | CM | N1' | 58.4° | 105.0° |
| C3 | C4 | CM | HM | 179.8° | 135.0° |
| C3 | C4 | CM | HMA | 63.3° | 15.0° |
| H3 | C3 | C4 | CM | 8.2° | 0.0° |
| H3 | C3 | C4 | C10 | 179.3° | 180.0° |
| CM | C4 | C10 | C5 | 7.4° | 0.0° |
| CM | C4 | C10 | C9 | 172.2° | 180.0° |
| C4 | CM | N1' | HM | 121.7° | 120.0° |
| C4 | CM | N1' | HMA | 121.7° | 120.0° |
| C4 | CM | HM | HMA | 114.3° | 120.0° |
| C4 | CM | N1' | C1' | 164.9° | 164.3° |
| C4 | CM | N1' | C8' | 82.7° | 71.7° |
| C4 | C10 | C5 | C6 | 179.1° | 180.0° |
| C4 | C10 | C5 | C9 | 179.6° | 180.0° |
| C4 | C10 | C5 | H5 | 0.9° | 0.0° |
| C4 | C10 | C9 | N5 | 1.4° | 0.0° |
| C4 | C10 | C9 | C8 | 178.7° | 179.9° |
| C10 | C4 | CM | N1' | 129.4° | 75.0° |
| C10 | C4 | CM | HM | 7.6° | 45.0° |
| C10 | C4 | CM | HMA | 108.9° | 165.0° |
| C6 | C5 | C10 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C6 | C5 | C10 | C9 | 0.6° | 0.0° |
| C5 | C10 | C9 | N5 | 179.0° | 180.0° |
| C10 | C5 | C6 | C7 | 0.2° | 0.0° |
| C10 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C10 | C9 | C8 | 0.9° | 0.1° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H5 | C5 | C10 | C9 | 179.4° | 179.9° |
| N5 | C9 | C8 | C7 | 179.4° | 179.9° |
| N5 | C9 | C8 | C10 | 179.9° | 179.9° |
| N5 | C9 | C8 | H8 | 0.6° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.1° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| H6 | C6 | C7 | C8 | 179.3° | 179.9° |
| H6 | C6 | C7 | H7 | 0.7° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| H7 | C7 | C8 | C9 | 179.7° | 179.9° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| H8 | C8 | C9 | C10 | 179.5° | 180.0° |
| N1' | CM | HM | HMA | 114.3° | 120.0° |
| CM | N1' | C1' | C8' | 114.6° | 124.0° |
| CM | N1' | C1' | C2' | 66.4° | 109.5° |
| CM | N1' | C1' | H1' | 54.9° | 10.4° |
| CM | N1' | C1' | H1'A | 172.2° | 130.4° |
| CM | N1' | C8' | C7' | 171.9° | 107.1° |
| CM | N1' | C8' | H8' | 51.0° | 132.9° |
| CM | N1' | C8' | H8'A | 67.2° | 12.9° |
| HM | CM | N1' | C1' | 43.2° | 44.3° |
| HM | CM | N1' | C8' | 155.6° | 168.3° |
| HMA | CM | N1' | C1' | 73.4° | 75.7° |
| HMA | CM | N1' | C8' | 39.1° | 48.3° |
| N1' | C1' | C2' | H1' | 121.4° | 120.0° |
| N1' | C1' | C2' | H1'A | 121.3° | 120.1° |
| N1' | C1' | H1' | H1'A | 115.7° | 120.0° |
| N1' | C1' | C2' | N2' | 56.4° | 122.7° |
| N1' | C1' | C2' | H2' | 64.3° | 2.7° |
| N1' | C1' | C2' | H2'A | 177.1° | 117.3° |
| C1' | N1' | C8' | C7' | 59.8° | 128.9° |
| C1' | N1' | C8' | H8' | 61.1° | 8.9° |
| C1' | N1' | C8' | H8'A | 179.3° | 111.1° |
| C2' | C1' | H1' | H1'A | 115.7° | 120.0° |
| C2' | C1' | N1' | C8' | 179.0° | 126.5° |
| C1' | C2' | N2' | H2' | 120.7° | 120.0° |
| C1' | C2' | N2' | H2'A | 120.7° | 120.0° |
| C1' | C2' | H2' | H2'A | 117.9° | 120.0° |
| C1' | C2' | N2' | C3' | 65.3° | 129.0° |
| C1' | C2' | N2' | HN2' | 55.8° | 107.1° |
| H1' | C1' | N1' | C8' | 59.6° | 113.5° |
| H1' | C1' | C2' | N2' | 177.8° | 117.3° |
| H1' | C1' | C2' | H2' | 57.1° | 122.7° |
| H1' | C1' | C2' | H2'A | 61.5° | 2.6° |
| H1'A | C1' | N1' | C8' | 57.7° | 6.4° |
| H1'A | C1' | C2' | N2' | 65.0° | 2.6° |
| H1'A | C1' | C2' | H2' | 174.3° | 117.4° |
| H1'A | C1' | C2' | H2'A | 55.7° | 122.6° |
| N1' | C8' | C7' | N4' | 51.6° | 124.8° |
| N1' | C8' | C7' | H8' | 120.9° | 120.0° |
| N1' | C8' | C7' | H8'A | 120.9° | 120.0° |
| N1' | C8' | C7' | H7' | 171.8° | 4.8° |
| N1' | C8' | C7' | H7'A | 68.5° | 115.2° |
| N1' | C8' | H8' | H8'A | 117.2° | 120.0° |
| N2' | C2' | H2' | H2'A | 117.9° | 120.0° |
| C2' | N2' | C3' | HN2' | 121.0° | 124.0° |
| C2' | N2' | C3' | C4' | 138.7° | 128.3° |
| C2' | N2' | C3' | H3' | 101.0° | 8.3° |
| C2' | N2' | C3' | H3'A | 18.3° | 111.8° |
| H2' | C2' | N2' | C3' | 174.1° | 8.9° |
| H2' | C2' | N2' | HN2' | 64.9° | 132.9° |
| H2'A | C2' | N2' | C3' | 55.5° | 111.1° |
| H2'A | C2' | N2' | HN2' | 176.5° | 12.9° |
| N2' | C3' | C4' | H3' | 120.4° | 120.0° |
| N2' | C3' | C4' | H3'A | 120.4° | 119.9° |
| N2' | C3' | H3' | H3'A | 118.9° | 120.0° |
| N2' | C3' | C4' | N3' | 87.6° | 122.6° |
| N2' | C3' | C4' | H4' | 33.4° | 117.4° |
| N2' | C3' | C4' | H4'A | 151.3° | 2.7° |
| HN2' | N2' | C3' | C4' | 17.6° | 107.7° |
| HN2' | N2' | C3' | H3' | 138.0° | 132.3° |
| HN2' | N2' | C3' | H3'A | 102.7° | 12.2° |
| C4' | C3' | H3' | H3'A | 118.9° | 120.0° |
| C3' | C4' | N3' | H4' | 121.1° | 120.0° |
| C3' | C4' | N3' | H4'A | 121.1° | 120.0° |
| C3' | C4' | N3' | C5' | 73.0° | 127.4° |
| C3' | C4' | N3' | HN3' | 47.3° | 3.5° |
| C3' | C4' | H4' | H4'A | 116.6° | 120.1° |
| H3' | C3' | C4' | N3' | 152.0° | 2.6° |
| H3' | C3' | C4' | H4' | 86.9° | 122.6° |
| H3' | C3' | C4' | H4'A | 30.9° | 117.3° |
| H3'A | C3' | C4' | N3' | 32.7° | 117.4° |
| H3'A | C3' | C4' | H4' | 153.8° | 2.6° |
| H3'A | C3' | C4' | H4'A | 88.4° | 122.6° |
| C4' | N3' | C5' | HN3' | 120.3° | 124.0° |
| N3' | C4' | H4' | H4'A | 116.6° | 120.0° |
| C4' | N3' | C5' | C6' | 102.8° | 128.6° |
| C4' | N3' | C5' | H5' | 136.8° | 111.5° |
| C4' | N3' | C5' | H5'A | 17.6° | 8.5° |
| C5' | N3' | C4' | H4' | 165.9° | 112.6° |
| C5' | N3' | C4' | H4'A | 48.1° | 7.4° |
| N3' | C5' | C6' | N4' | 49.2° | 124.3° |
| N3' | C5' | C6' | H5' | 120.4° | 120.0° |
| N3' | C5' | C6' | H5'A | 120.4° | 120.1° |
| N3' | C5' | H5' | H5'A | 118.7° | 120.0° |
| N3' | C5' | C6' | H6' | 70.7° | 115.8° |
| N3' | C5' | C6' | H6'A | 169.2° | 4.3° |
| HN3' | N3' | C4' | H4' | 73.8° | 123.5° |
| HN3' | N3' | C4' | H4'A | 168.4° | 116.5° |
| HN3' | N3' | C5' | C6' | 17.5° | 4.6° |
| HN3' | N3' | C5' | H5' | 103.0° | 124.6° |
| HN3' | N3' | C5' | H5'A | 137.9° | 115.5° |
| C6' | N4' | C7' | HN4' | 120.6° | 123.9° |
| N4' | C6' | C5' | H6' | 120.0° | 120.0° |
| N4' | C6' | C5' | H6'A | 120.0° | 120.0° |
| N4' | C6' | C5' | H5' | 71.2° | 115.8° |
| N4' | C6' | C5' | H5'A | 169.6° | 4.2° |
| N4' | C6' | H6' | H6'A | 120.1° | 120.1° |
| C6' | N4' | C7' | C8' | 126.8° | 126.8° |
| C6' | N4' | C7' | H7' | 113.1° | 6.8° |
| C6' | N4' | C7' | H7'A | 6.6° | 113.3° |
| C7' | N4' | C6' | C5' | 157.5° | 126.9° |
| C7' | N4' | C6' | H6' | 37.5° | 113.1° |
| C7' | N4' | C6' | H6'A | 82.6° | 6.9° |
| N4' | C7' | C8' | H7' | 120.2° | 120.0° |
| N4' | C7' | C8' | H7'A | 120.1° | 120.0° |
| N4' | C7' | H7' | H7'A | 119.5° | 120.1° |
| N4' | C7' | C8' | H8' | 172.5° | 4.8° |
| N4' | C7' | C8' | H8'A | 69.3° | 115.2° |
| HN4' | N4' | C6' | C5' | 36.9° | 109.2° |
| HN4' | N4' | C6' | H6' | 83.1° | 10.7° |
| HN4' | N4' | C6' | H6'A | 156.9° | 130.8° |
| HN4' | N4' | C7' | C8' | 6.2° | 109.3° |
| HN4' | N4' | C7' | H7' | 126.4° | 130.7° |
| HN4' | N4' | C7' | H7'A | 113.9° | 10.6° |
| C6' | C5' | H5' | H5'A | 118.7° | 120.0° |
| C5' | C6' | H6' | H6'A | 120.1° | 120.0° |
| H5' | C5' | C6' | H6' | 168.8° | 4.2° |
| H5' | C5' | C6' | H6'A | 48.8° | 124.2° |
| H5'A | C5' | C6' | H6' | 49.7° | 124.2° |
| H5'A | C5' | C6' | H6'A | 70.4° | 115.8° |
| C8' | C7' | H7' | H7'A | 119.5° | 120.0° |
| C7' | C8' | H8' | H8'A | 117.2° | 120.0° |
| H7' | C7' | C8' | H8' | 67.3° | 115.2° |
| H7' | C7' | C8' | H8'A | 50.9° | 124.8° |
| H7'A | C7' | C8' | H8' | 52.4° | 124.8° |
| H7'A | C7' | C8' | H8'A | 170.6° | 4.8° |
