OS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | trip | 1.17Å | 1.26Å | |
| C21 | C20 | sing | 1.47Å | 1.45Å | |
| C20 | S5' | sing | 1.81Å | 1.80Å | |
| C1' | C4' | sing | 1.55Å | 1.52Å | |
| C1' | N1' | sing | 1.49Å | 1.48Å | |
| S5' | C5' | sing | 1.81Å | 1.73Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C8 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| N7 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| N1' | C10 | sing | 1.47Å | 1.45Å | |
| N1' | C2' | sing | 1.48Å | 1.48Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C4 | sing | 1.46Å | 1.46Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C5 | C4 | doub | 1.41Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.45Å | Aromatic |
| N6 | C6 | sing | 1.39Å | 1.34Å | |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.05Å | 1.06Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 176.6° | 179.9° |
| C21 | C22 | H13 | 180.0° | 180.0° |
| C21 | C20 | S5' | 106.5° | 109.4° |
| C21 | C20 | H11 | 110.2° | 109.4° |
| C21 | C20 | H12 | 110.2° | 109.5° |
| C20 | S5' | C5' | 103.2° | 103.0° |
| S5' | C20 | H11 | 110.2° | 109.5° |
| S5' | C20 | H12 | 110.2° | 109.5° |
| C4' | C1' | N1' | 105.2° | 103.2° |
| C1' | C4' | C5' | 106.8° | 110.7° |
| C1' | C4' | C3' | 104.7° | 102.9° |
| C4' | C1' | H6 | 110.5° | 110.7° |
| C4' | C1' | H7 | 110.5° | 110.6° |
| C1' | C4' | H8 | 109.9° | 110.7° |
| C1' | N1' | C10 | 114.6° | 111.0° |
| C1' | N1' | C2' | 108.2° | 105.8° |
| N1' | C1' | H6 | 110.5° | 110.7° |
| N1' | C1' | H7 | 110.5° | 110.7° |
| S5' | C5' | C4' | 111.1° | 109.4° |
| S5' | C5' | H9 | 109.0° | 109.4° |
| S5' | C5' | H10 | 109.0° | 109.5° |
| C5' | C4' | C3' | 115.3° | 110.7° |
| C5' | C4' | H8 | 110.0° | 110.8° |
| C4' | C5' | H9 | 109.1° | 109.5° |
| C4' | C5' | H10 | 109.1° | 109.5° |
| C4' | C3' | O3' | 112.0° | 110.3° |
| C4' | C3' | C2' | 101.6° | 105.1° |
| C4' | C3' | H2 | 111.1° | 110.4° |
| C3' | C4' | H8 | 109.8° | 110.7° |
| N7 | C8 | C9 | 112.6° | 109.9° |
| C8 | N7 | C5 | 109.1° | 109.8° |
| N7 | C8 | H16 | 123.7° | 125.0° |
| C8 | N7 | H17 | 125.4° | 125.2° |
| C8 | C9 | C10 | 126.0° | 126.5° |
| C8 | C9 | C4 | 104.2° | 107.0° |
| C9 | C8 | H16 | 123.7° | 125.1° |
| N7 | C5 | C4 | 108.0° | 107.3° |
| N7 | C5 | C6 | 136.2° | 134.6° |
| C5 | N7 | H17 | 125.4° | 125.0° |
| C10 | N1' | C2' | 115.7° | 111.0° |
| N1' | C10 | C9 | 120.9° | 109.5° |
| N1' | C10 | H14 | 106.5° | 109.4° |
| N1' | C10 | H15 | 106.6° | 109.5° |
| N1' | C2' | C3' | 101.2° | 107.1° |
| N1' | C2' | H3 | 111.5° | 109.9° |
| N1' | C2' | H4 | 111.5° | 110.1° |
| C10 | C9 | C4 | 129.5° | 126.5° |
| C9 | C10 | H14 | 106.5° | 109.5° |
| C9 | C10 | H15 | 106.5° | 109.5° |
| C9 | C4 | C5 | 106.1° | 106.0° |
| C9 | C4 | N3 | 131.5° | 134.9° |
| O3' | C3' | C2' | 108.0° | 110.3° |
| C3' | O3' | H1 | 109.5° | 114.1° |
| O3' | C3' | H2 | 112.5° | 110.3° |
| C2' | C3' | H2 | 111.1° | 110.3° |
| C3' | C2' | H3 | 111.5° | 109.9° |
| C3' | C2' | H4 | 111.5° | 109.9° |
| C4 | C5 | C6 | 115.7° | 118.1° |
| C5 | C4 | N3 | 122.4° | 119.1° |
| C5 | C6 | N6 | 118.4° | 120.7° |
| C5 | C6 | N1 | 119.1° | 118.6° |
| N6 | C6 | N1 | 122.5° | 120.7° |
| C6 | N6 | H18 | 109.5° | 120.0° |
| C6 | N6 | H19 | 109.5° | 120.0° |
| C4 | N3 | C2 | 118.1° | 120.4° |
| C6 | N1 | C2 | 120.5° | 121.3° |
| N3 | C2 | N1 | 124.2° | 122.4° |
| N3 | C2 | H20 | 117.9° | 118.8° |
| N1 | C2 | H20 | 117.9° | 118.8° |
| H3 | C2' | H4 | 109.5° | 109.9° |
| H6 | C1' | H7 | 109.5° | 110.7° |
| H9 | C5' | H10 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H18 | N6 | H19 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | S5' | 19.9° | 153.4° |
| C22 | C21 | C20 | H11 | 139.5° | 86.6° |
| C22 | C21 | C20 | H12 | 99.6° | 33.4° |
| C21 | C20 | S5' | H11 | 119.5° | 119.9° |
| C21 | C20 | S5' | H12 | 119.6° | 120.0° |
| C21 | C20 | S5' | C5' | 178.7° | 180.0° |
| C21 | C20 | H11 | H12 | 121.4° | 120.0° |
| C20 | C21 | C22 | H13 | 163.1° | 136.5° |
| C20 | S5' | C5' | C4' | 79.6° | 180.0° |
| C20 | S5' | C5' | H9 | 40.6° | 60.1° |
| C20 | S5' | C5' | H10 | 160.1° | 60.0° |
| S5' | C20 | H11 | H12 | 121.3° | 120.0° |
| C4' | C1' | N1' | H6 | 119.3° | 118.5° |
| C4' | C1' | N1' | H7 | 119.3° | 118.4° |
| C1' | C4' | C5' | S5' | 164.6° | 66.5° |
| C1' | C4' | C5' | C3' | 115.8° | 113.5° |
| C1' | C4' | C5' | H8 | 119.3° | 123.3° |
| C1' | C4' | C3' | H8 | 118.0° | 118.4° |
| C4' | C1' | N1' | C10 | 144.2° | 159.7° |
| C4' | C1' | N1' | C2' | 13.4° | 39.2° |
| C1' | C4' | C3' | O3' | 79.0° | 140.9° |
| C1' | C4' | C3' | C2' | 36.0° | 21.9° |
| C1' | C4' | C3' | H2 | 154.2° | 97.0° |
| C4' | C1' | H6 | H7 | 122.0° | 123.0° |
| C1' | C4' | C5' | H9 | 44.4° | 173.6° |
| C1' | C4' | C5' | H10 | 75.2° | 53.5° |
| N1' | C1' | C4' | C5' | 108.2° | 155.7° |
| N1' | C1' | C4' | C3' | 14.6° | 37.4° |
| C1' | N1' | C10 | C2' | 127.0° | 117.4° |
| C1' | N1' | C10 | C9 | 53.1° | 172.7° |
| C1' | N1' | C2' | C3' | 35.7° | 25.4° |
| C1' | N1' | C2' | H3 | 154.4° | 94.0° |
| C1' | N1' | C2' | H4 | 82.9° | 144.8° |
| N1' | C1' | H6 | H7 | 122.0° | 123.1° |
| N1' | C1' | C4' | H8 | 132.5° | 80.9° |
| C1' | N1' | C10 | H14 | 174.7° | 52.7° |
| C1' | N1' | C10 | H15 | 68.5° | 67.3° |
| S5' | C5' | C4' | H9 | 120.2° | 119.9° |
| S5' | C5' | C4' | H10 | 120.2° | 120.0° |
| S5' | C5' | C4' | C3' | 79.6° | 180.0° |
| S5' | C5' | C4' | H8 | 45.3° | 56.8° |
| S5' | C5' | H9 | H10 | 119.2° | 120.0° |
| C5' | S5' | C20 | H11 | 61.7° | 60.1° |
| C5' | S5' | C20 | H12 | 59.2° | 60.0° |
| C5' | C4' | C3' | H8 | 125.0° | 123.3° |
| C5' | C4' | C3' | O3' | 163.9° | 100.8° |
| C5' | C4' | C3' | C2' | 81.1° | 140.3° |
| C5' | C4' | C3' | H2 | 37.1° | 21.4° |
| C5' | C4' | C1' | H6 | 132.5° | 37.3° |
| C5' | C4' | C1' | H7 | 11.2° | 85.8° |
| C4' | C5' | H9 | H10 | 119.3° | 120.1° |
| C4' | C3' | C2' | N1' | 43.3° | 1.2° |
| C4' | C3' | O3' | C2' | 111.0° | 115.7° |
| C4' | C3' | O3' | H2 | 126.0° | 122.2° |
| C4' | C3' | C2' | H2 | 118.3° | 119.0° |
| C4' | C3' | O3' | H1 | 180.0° | 177.2° |
| C4' | C3' | C2' | H3 | 162.0° | 118.1° |
| C4' | C3' | C2' | H4 | 75.3° | 120.8° |
| C3' | C4' | C1' | H6 | 104.7° | 81.1° |
| C3' | C4' | C1' | H7 | 133.9° | 155.8° |
| C3' | C4' | C5' | H9 | 160.2° | 60.1° |
| C3' | C4' | C5' | H10 | 40.7° | 60.0° |
| N7 | C8 | C9 | H16 | 180.0° | 179.9° |
| C8 | N7 | C5 | H17 | 180.0° | 179.8° |
| N7 | C8 | C9 | C10 | 175.9° | 180.0° |
| N7 | C8 | C9 | C4 | 0.8° | 0.2° |
| C8 | N7 | C5 | C4 | 0.3° | 0.0° |
| C8 | N7 | C5 | C6 | 177.7° | 179.9° |
| C9 | C8 | N7 | C5 | 0.3° | 0.2° |
| C8 | C9 | C10 | N1' | 111.3° | 100.3° |
| C8 | C9 | C10 | C4 | 173.8° | 179.7° |
| C8 | C9 | C4 | C5 | 0.9° | 0.2° |
| C8 | C9 | C4 | N3 | 179.4° | 179.7° |
| C8 | C9 | C10 | H14 | 127.1° | 139.7° |
| C8 | C9 | C10 | H15 | 10.3° | 19.7° |
| C9 | C8 | N7 | H17 | 179.7° | 180.0° |
| N7 | C5 | C4 | C9 | 0.8° | 0.1° |
| N7 | C5 | C4 | C6 | 178.5° | 179.9° |
| N7 | C5 | C6 | N6 | 2.3° | 0.0° |
| N7 | C5 | C4 | N3 | 179.4° | 179.8° |
| N7 | C5 | C6 | N1 | 179.4° | 180.0° |
| C5 | N7 | C8 | H16 | 179.7° | 180.0° |
| N1' | C10 | C9 | H14 | 121.6° | 120.0° |
| N1' | C10 | C9 | H15 | 121.6° | 120.0° |
| N1' | C10 | C9 | C4 | 74.8° | 80.0° |
| C10 | N1' | C2' | C3' | 165.9° | 145.9° |
| C10 | N1' | C2' | H3 | 75.5° | 26.5° |
| C10 | N1' | C2' | H4 | 47.3° | 94.7° |
| C10 | N1' | C1' | H6 | 96.5° | 41.3° |
| C10 | N1' | C1' | H7 | 24.8° | 81.9° |
| N1' | C10 | H14 | H15 | 114.9° | 120.0° |
| C2' | N1' | C10 | C9 | 73.9° | 69.9° |
| N1' | C2' | C3' | O3' | 74.6° | 117.7° |
| N1' | C2' | C3' | H3 | 118.6° | 119.4° |
| N1' | C2' | C3' | H4 | 118.6° | 119.5° |
| N1' | C2' | C3' | H2 | 161.6° | 120.3° |
| N1' | C2' | H3 | H4 | 123.9° | 121.3° |
| C2' | N1' | C1' | H6 | 132.7° | 79.2° |
| C2' | N1' | C1' | H7 | 106.0° | 157.6° |
| C2' | N1' | C10 | H14 | 47.7° | 170.1° |
| C2' | N1' | C10 | H15 | 164.6° | 50.1° |
| C10 | C9 | C4 | C5 | 175.8° | 180.0° |
| C10 | C9 | C4 | N3 | 5.8° | 0.0° |
| C9 | C10 | H14 | H15 | 114.8° | 120.0° |
| C10 | C9 | C8 | H16 | 4.1° | 0.1° |
| C9 | C4 | C5 | N3 | 178.6° | 180.0° |
| C9 | C4 | C5 | C6 | 177.7° | 179.8° |
| C9 | C4 | N3 | C2 | 177.5° | 180.0° |
| C4 | C9 | C10 | H14 | 46.8° | 40.0° |
| C4 | C9 | C10 | H15 | 163.6° | 160.0° |
| C4 | C9 | C8 | H16 | 179.2° | 179.9° |
| O3' | C3' | C2' | H2 | 123.8° | 122.0° |
| O3' | C3' | C2' | H3 | 44.1° | 122.9° |
| O3' | C3' | C2' | H4 | 166.8° | 1.8° |
| O3' | C3' | C4' | H8 | 39.0° | 22.5° |
| C2' | C3' | O3' | H1 | 69.0° | 61.5° |
| C3' | C2' | H3 | H4 | 123.9° | 121.1° |
| C2' | C3' | C4' | H8 | 153.9° | 96.4° |
| C4 | C5 | C6 | N6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 1.5° | 0.0° |
| C5 | C4 | N3 | C2 | 0.8° | 0.0° |
| C4 | C5 | N7 | H17 | 179.7° | 179.9° |
| C5 | C6 | N6 | N1 | 178.2° | 180.0° |
| C6 | C5 | C4 | N3 | 0.9° | 0.2° |
| C5 | C6 | N1 | C2 | 1.9° | 0.3° |
| C6 | C5 | N7 | H17 | 2.3° | 0.2° |
| C5 | C6 | N6 | H18 | 178.2° | 0.0° |
| C5 | C6 | N6 | H19 | 58.2° | 180.0° |
| N6 | C6 | N1 | C2 | 179.9° | 179.7° |
| C6 | N6 | H18 | H19 | 120.0° | 180.0° |
| C4 | N3 | C2 | N1 | 1.2° | 0.3° |
| C4 | N3 | C2 | H20 | 178.8° | 180.0° |
| C6 | N1 | C2 | N3 | 1.8° | 0.5° |
| N1 | C6 | N6 | H18 | 0.0° | 180.0° |
| N1 | C6 | N6 | H19 | 120.0° | 0.0° |
| C6 | N1 | C2 | H20 | 178.2° | 179.8° |
| N3 | C2 | N1 | H20 | 180.0° | 179.7° |
| H1 | O3' | C3' | H2 | 54.0° | 60.6° |
| H2 | C3' | C2' | H3 | 79.8° | 0.9° |
| H2 | C3' | C2' | H4 | 43.0° | 120.2° |
| H2 | C3' | C4' | H8 | 87.8° | 144.7° |
| H6 | C1' | C4' | H8 | 13.2° | 160.6° |
| H7 | C1' | C4' | H8 | 108.2° | 37.5° |
| H8 | C4' | C5' | H9 | 74.9° | 63.1° |
| H8 | C4' | C5' | H10 | 165.5° | 176.8° |
| H16 | C8 | N7 | H17 | 0.3° | 0.1° |
