QSV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S0 | C0' | sing | 1.76Å | 1.78Å | Aromatic |
| S0 | C0 | sing | 1.76Å | 1.78Å | Aromatic |
| C5' | C0' | doub | 1.40Å | 1.39Å | Aromatic |
| C5' | C4' | sing | 1.36Å | 1.39Å | Aromatic |
| C0' | C1' | sing | 1.39Å | 1.38Å | Aromatic |
| C4' | C3' | doub | 1.40Å | 1.42Å | Aromatic |
| C0 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C0 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C1' | C1 | sing | 1.48Å | 1.49Å | Aromatic |
| C1' | C2' | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C3' | C2' | sing | 1.39Å | 1.41Å | Aromatic |
| C3' | C6' | sing | 1.47Å | 1.50Å | |
| C7' | C6' | sing | 1.51Å | 1.52Å | |
| C6' | N1' | doub | 1.30Å | 1.29Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C6 | sing | 1.47Å | 1.50Å | |
| N1' | N2' | sing | 1.40Å | 1.38Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | N1 | doub | 1.30Å | 1.29Å | |
| N2' | C8' | sing | 1.38Å | 1.35Å | |
| N1 | N2 | sing | 1.40Å | 1.38Å | |
| C8' | N4' | sing | 1.38Å | 1.33Å | |
| C8' | N3' | doub | 1.30Å | 1.27Å | |
| N2 | C8 | sing | 1.38Å | 1.35Å | |
| N4' | C9' | sing | 1.46Å | 1.46Å | |
| N3 | C8 | doub | 1.30Å | 1.27Å | |
| C8 | N4 | sing | 1.38Å | 1.33Å | |
| N4 | C9 | sing | 1.47Å | 1.46Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| N2 | H01 | sing | 0.97Å | 1.00Å | |
| N3 | H02 | sing | 0.97Å | 1.00Å | |
| N4 | H03 | sing | 0.97Å | 1.00Å | |
| C7' | H75 | sing | 1.09Å | 1.10Å | |
| C7' | H74 | sing | 1.09Å | 1.10Å | |
| C7' | H76 | sing | 1.09Å | 1.10Å | |
| N2' | H04 | sing | 0.97Å | 1.00Å | |
| N3' | H05 | sing | 0.97Å | 1.00Å | |
| N4' | H06 | sing | 0.97Å | 1.00Å | |
| C9' | H95 | sing | 1.09Å | 1.10Å | |
| C9' | H96 | sing | 1.09Å | 1.10Å | |
| C9' | H94 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C0' | S0 | C0 | 92.6° | 93.1° |
| S0 | C0' | C5' | 127.2° | 129.5° |
| S0 | C0' | C1' | 110.8° | 110.7° |
| S0 | C0 | C5 | 127.5° | 129.5° |
| S0 | C0 | C1 | 110.7° | 110.6° |
| C0' | C5' | C4' | 118.7° | 120.8° |
| C5' | C0' | C1' | 122.0° | 119.8° |
| C0' | C5' | H5' | 120.7° | 119.6° |
| C5' | C4' | C3' | 121.2° | 120.1° |
| C5' | C4' | H4' | 119.4° | 119.9° |
| C4' | C5' | H5' | 120.6° | 119.6° |
| C0' | C1' | C1 | 113.1° | 112.8° |
| C0' | C1' | C2' | 119.4° | 119.3° |
| C4' | C3' | C2' | 118.3° | 119.9° |
| C4' | C3' | C6' | 122.2° | 120.1° |
| C3' | C4' | H4' | 119.4° | 120.0° |
| C5 | C0 | C1 | 121.8° | 119.9° |
| C0 | C5 | C4 | 118.6° | 120.8° |
| C0 | C5 | H5 | 120.7° | 119.6° |
| C0 | C1 | C1' | 112.9° | 112.8° |
| C0 | C1 | C2 | 119.5° | 119.3° |
| C5 | C4 | C3 | 121.1° | 120.1° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | H5 | 120.7° | 119.6° |
| C1 | C1' | C2' | 127.4° | 127.9° |
| C1' | C1 | C2 | 127.7° | 127.9° |
| C1' | C2' | C3' | 120.4° | 120.1° |
| C1' | C2' | H2' | 119.8° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C4 | C3 | C2 | 119.0° | 119.8° |
| C4 | C3 | C6 | 121.4° | 120.1° |
| C3 | C4 | H4 | 119.5° | 119.9° |
| C2' | C3' | C6' | 119.5° | 120.0° |
| C3' | C2' | H2' | 119.8° | 120.0° |
| C3' | C6' | C7' | 120.5° | 120.0° |
| C3' | C6' | N1' | 118.7° | 120.0° |
| C7' | C6' | N1' | 120.8° | 120.0° |
| C6' | C7' | H75 | 109.5° | 109.5° |
| C6' | C7' | H74 | 109.5° | 109.5° |
| C6' | C7' | H76 | 109.4° | 109.5° |
| C6' | N1' | N2' | 123.6° | 120.0° |
| C2 | C3 | C6 | 119.6° | 120.0° |
| C3 | C2 | H2 | 120.0° | 119.9° |
| C3 | C6 | C7 | 118.4° | 120.0° |
| C3 | C6 | N1 | 119.4° | 120.0° |
| N1' | N2' | C8' | 127.0° | 120.0° |
| N1' | N2' | H04 | 116.5° | 120.0° |
| C7 | C6 | N1 | 122.2° | 120.0° |
| C6 | C7 | H72 | 109.5° | 109.5° |
| C6 | C7 | H71 | 109.4° | 109.5° |
| C6 | C7 | H73 | 109.5° | 109.5° |
| C6 | N1 | N2 | 125.4° | 120.0° |
| N2' | C8' | N4' | 113.9° | 120.0° |
| N2' | C8' | N3' | 122.4° | 120.0° |
| C8' | N2' | H04 | 116.5° | 120.0° |
| N1 | N2 | C8 | 124.3° | 120.1° |
| N1 | N2 | H01 | 117.8° | 120.0° |
| N4' | C8' | N3' | 123.7° | 120.0° |
| C8' | N4' | C9' | 129.3° | 120.0° |
| C8' | N4' | H06 | 115.4° | 120.0° |
| C8' | N3' | H05 | 112.0° | 120.0° |
| N2 | C8 | N3 | 122.2° | 120.0° |
| N2 | C8 | N4 | 112.1° | 120.0° |
| C8 | N2 | H01 | 117.9° | 120.0° |
| C9' | N4' | H06 | 115.3° | 120.0° |
| N4' | C9' | H95 | 109.5° | 109.5° |
| N4' | C9' | H96 | 109.5° | 109.4° |
| N4' | C9' | H94 | 109.5° | 109.5° |
| N3 | C8 | N4 | 125.3° | 120.0° |
| C8 | N3 | H02 | 112.0° | 120.0° |
| C8 | N4 | C9 | 126.5° | 120.0° |
| C8 | N4 | H03 | 116.7° | 120.0° |
| N4 | C9 | H92 | 109.5° | 109.4° |
| N4 | C9 | H93 | 109.4° | 109.4° |
| N4 | C9 | H91 | 109.4° | 109.5° |
| C9 | N4 | H03 | 116.8° | 120.0° |
| H72 | C7 | H71 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| H93 | C9 | H91 | 109.5° | 109.5° |
| H75 | C7' | H74 | 109.5° | 109.4° |
| H75 | C7' | H76 | 109.5° | 109.4° |
| H74 | C7' | H76 | 109.5° | 109.5° |
| H95 | C9' | H96 | 109.5° | 109.5° |
| H95 | C9' | H94 | 109.4° | 109.5° |
| H96 | C9' | H94 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S0 | C0' | C5' | C1' | 179.1° | 179.5° |
| S0 | C0' | C5' | C4' | 179.2° | 179.5° |
| C0' | S0 | C0 | C5 | 179.6° | 180.0° |
| C0' | S0 | C0 | C1 | 1.1° | 0.0° |
| S0 | C0' | C1' | C1 | 0.2° | 0.4° |
| S0 | C0' | C1' | C2' | 179.2° | 179.5° |
| S0 | C0' | C5' | H5' | 0.8° | 0.5° |
| C0 | S0 | C0' | C5' | 179.7° | 179.8° |
| C0 | S0 | C0' | C1' | 0.5° | 0.2° |
| S0 | C0 | C5 | C1 | 179.3° | 180.0° |
| S0 | C0 | C5 | C4 | 178.1° | 180.0° |
| S0 | C0 | C1 | C1' | 1.3° | 0.2° |
| S0 | C0 | C1 | C2 | 179.0° | 179.8° |
| S0 | C0 | C5 | H5 | 1.9° | 0.0° |
| C0' | C5' | C4' | H5' | 180.0° | 179.9° |
| C0' | C5' | C4' | C3' | 0.8° | 0.1° |
| C5' | C0' | C1' | C1 | 179.1° | 180.0° |
| C5' | C0' | C1' | C2' | 0.0° | 0.1° |
| C0' | C5' | C4' | H4' | 179.2° | 180.0° |
| C4' | C5' | C0' | C1' | 0.1° | 0.0° |
| C5' | C4' | C3' | H4' | 180.0° | 179.9° |
| C5' | C4' | C3' | C2' | 1.8° | 0.1° |
| C5' | C4' | C3' | C6' | 177.5° | 179.9° |
| C0' | C1' | C1 | C0 | 1.0° | 0.4° |
| C0' | C1' | C1 | C2' | 178.9° | 179.9° |
| C0' | C1' | C1 | C2 | 179.3° | 179.9° |
| C0' | C1' | C2' | C3' | 1.1° | 0.1° |
| C0' | C1' | C2' | H2' | 178.9° | 179.9° |
| C1' | C0' | C5' | H5' | 179.9° | 179.9° |
| C4' | C3' | C2' | C1' | 2.0° | 0.0° |
| C4' | C3' | C2' | C6' | 179.3° | 180.0° |
| C4' | C3' | C6' | C7' | 3.9° | 0.0° |
| C4' | C3' | C6' | N1' | 177.2° | 180.0° |
| C4' | C3' | C2' | H2' | 178.0° | 180.0° |
| C3' | C4' | C5' | H5' | 179.2° | 180.0° |
| C0 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | C0 | C1 | C1' | 179.2° | 179.8° |
| C5 | C0 | C1 | C2 | 0.5° | 0.2° |
| C0 | C5 | C4 | C3 | 1.1° | 0.0° |
| C0 | C5 | C4 | H4 | 178.9° | 179.7° |
| C1 | C0 | C5 | C4 | 1.2° | 0.0° |
| C0 | C1 | C1' | C2 | 179.7° | 179.6° |
| C0 | C1 | C1' | C2' | 179.9° | 179.5° |
| C0 | C1 | C2 | C3 | 0.4° | 0.4° |
| C1 | C0 | C5 | H5 | 178.8° | 180.0° |
| C0 | C1 | C2 | H2 | 179.6° | 179.4° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.3° | 0.2° |
| C5 | C4 | C3 | C6 | 178.3° | 179.7° |
| C1 | C1' | C2' | C3' | 180.0° | 180.0° |
| C1' | C1 | C2 | C3 | 180.0° | 180.0° |
| C1' | C1 | C2 | H2 | 0.0° | 0.1° |
| C1 | C1' | C2' | H2' | 0.0° | 0.0° |
| C2' | C1' | C1 | C2 | 0.4° | 0.0° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C6' | 177.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.4° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C6 | 179.1° | 179.5° |
| C4 | C3 | C2 | C6 | 178.6° | 179.9° |
| C4 | C3 | C6 | C7 | 0.6° | 0.1° |
| C4 | C3 | C6 | N1 | 176.4° | 180.0° |
| C3 | C4 | C5 | H5 | 178.9° | 180.0° |
| C4 | C3 | C2 | H2 | 179.5° | 179.4° |
| C2' | C3' | C6' | C7' | 175.3° | 180.0° |
| C2' | C3' | C6' | N1' | 3.5° | 0.1° |
| C2' | C3' | C4' | H4' | 178.2° | 180.0° |
| C3' | C6' | C7' | N1' | 178.8° | 180.0° |
| C3' | C6' | N1' | N2' | 176.5° | 180.0° |
| C6' | C3' | C4' | H4' | 2.5° | 0.0° |
| C6' | C3' | C2' | H2' | 2.7° | 0.0° |
| C3' | C6' | C7' | H75 | 180.0° | 90.0° |
| C3' | C6' | C7' | H74 | 60.0° | 150.0° |
| C3' | C6' | C7' | H76 | 60.0° | 30.0° |
| C7' | C6' | N1' | N2' | 4.7° | 0.1° |
| C6' | C7' | H75 | H74 | 120.0° | 120.0° |
| C6' | C7' | H75 | H76 | 120.0° | 120.0° |
| C6' | C7' | H74 | H76 | 120.0° | 120.0° |
| C6' | N1' | N2' | C8' | 179.4° | 180.0° |
| N1' | C6' | C7' | H75 | 1.2° | 90.0° |
| N1' | C6' | C7' | H74 | 121.2° | 30.0° |
| N1' | C6' | C7' | H76 | 118.8° | 150.0° |
| C6' | N1' | N2' | H04 | 0.6° | 0.0° |
| C2 | C3 | C6 | C7 | 179.1° | 180.0° |
| C2 | C3 | C6 | N1 | 2.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.7° | 179.9° |
| C3 | C6 | C7 | N1 | 176.9° | 180.0° |
| C3 | C6 | N1 | N2 | 177.1° | 180.0° |
| C6 | C3 | C4 | H4 | 1.7° | 0.0° |
| C3 | C6 | C7 | H72 | 180.0° | 90.0° |
| C3 | C6 | C7 | H71 | 60.0° | 30.0° |
| C3 | C6 | C7 | H73 | 60.0° | 149.9° |
| C6 | C3 | C2 | H2 | 0.9° | 0.7° |
| N1' | N2' | C8' | H04 | 180.0° | 180.0° |
| N1' | N2' | C8' | N4' | 9.5° | 180.0° |
| N1' | N2' | C8' | N3' | 172.5° | 0.0° |
| C7 | C6 | N1 | N2 | 0.3° | 0.0° |
| C6 | C7 | H72 | H71 | 120.0° | 120.0° |
| C6 | C7 | H72 | H73 | 120.0° | 120.0° |
| C6 | C7 | H71 | H73 | 120.0° | 120.0° |
| C6 | N1 | N2 | C8 | 169.5° | 180.0° |
| N1 | C6 | C7 | H72 | 3.1° | 90.0° |
| N1 | C6 | C7 | H71 | 116.9° | 150.0° |
| N1 | C6 | C7 | H73 | 123.1° | 30.0° |
| C6 | N1 | N2 | H01 | 10.5° | 0.1° |
| N2' | C8' | N4' | N3' | 177.9° | 180.0° |
| N2' | C8' | N4' | C9' | 159.7° | 180.0° |
| N2' | C8' | N3' | H05 | 177.8° | 180.0° |
| N2' | C8' | N4' | H06 | 20.2° | 0.0° |
| N1 | N2 | C8 | H01 | 180.0° | 179.9° |
| N1 | N2 | C8 | N3 | 6.0° | 0.0° |
| N1 | N2 | C8 | N4 | 178.9° | 180.0° |
| C8' | N4' | C9' | H06 | 180.0° | 180.0° |
| N4' | C8' | N2' | H04 | 170.5° | 0.0° |
| N4' | C8' | N3' | H05 | 0.0° | 0.0° |
| C8' | N4' | C9' | H95 | 180.0° | 60.1° |
| C8' | N4' | C9' | H96 | 60.0° | 180.0° |
| C8' | N4' | C9' | H94 | 60.0° | 60.0° |
| N3' | C8' | N4' | C9' | 22.3° | 0.0° |
| N3' | C8' | N2' | H04 | 7.5° | 180.0° |
| N3' | C8' | N4' | H06 | 157.7° | 180.0° |
| N2 | C8 | N3 | N4 | 171.9° | 180.0° |
| N2 | C8 | N4 | C9 | 162.6° | 180.0° |
| N2 | C8 | N3 | H02 | 171.9° | 179.9° |
| N2 | C8 | N4 | H03 | 17.4° | 0.0° |
| N4' | C9' | H95 | H96 | 120.0° | 120.0° |
| N4' | C9' | H95 | H94 | 120.0° | 120.0° |
| N4' | C9' | H96 | H94 | 120.0° | 120.0° |
| N3 | C8 | N4 | C9 | 10.1° | 0.0° |
| N3 | C8 | N2 | H01 | 174.0° | 179.9° |
| N3 | C8 | N4 | H03 | 169.9° | 180.0° |
| C8 | N4 | C9 | H03 | 180.0° | 180.0° |
| C8 | N4 | C9 | H92 | 180.0° | 180.0° |
| C8 | N4 | C9 | H93 | 60.0° | 60.0° |
| C8 | N4 | C9 | H91 | 60.0° | 60.0° |
| N4 | C8 | N2 | H01 | 1.1° | 0.1° |
| N4 | C8 | N3 | H02 | 0.0° | 0.1° |
| N4 | C9 | H92 | H93 | 120.0° | 119.9° |
| N4 | C9 | H92 | H91 | 120.0° | 120.0° |
| N4 | C9 | H93 | H91 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 1.1° | 0.3° |
| H72 | C7 | H71 | H73 | 120.0° | 120.0° |
| H92 | C9 | H93 | H91 | 120.0° | 120.1° |
| H92 | C9 | N4 | H03 | 0.0° | 0.0° |
| H93 | C9 | N4 | H03 | 120.0° | 120.0° |
| H91 | C9 | N4 | H03 | 120.0° | 120.0° |
| H4' | C4' | C5' | H5' | 0.8° | 0.1° |
| H75 | C7' | H74 | H76 | 120.0° | 119.9° |
| H06 | N4' | C9' | H95 | 0.0° | 120.0° |
| H06 | N4' | C9' | H96 | 120.0° | 0.0° |
| H06 | N4' | C9' | H94 | 120.0° | 120.0° |
| H95 | C9' | H96 | H94 | 120.0° | 120.0° |
