6AD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | S1 | sing | 1.81Å | 1.78Å | |
| S1 | C2 | sing | 1.76Å | 1.76Å | |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| C6 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.47Å | |
| O4' | C4' | sing | 1.44Å | 1.46Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| O1A | PA | doub | 1.48Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.62Å | |
| O1B | PB | doub | 1.48Å | 1.48Å | |
| O3A | PB | sing | 1.61Å | 1.60Å | |
| O3B | PB | sing | 1.61Å | 1.60Å | |
| PB | O2B | sing | 1.61Å | 1.62Å | |
| O2B | H1 | sing | 0.97Å | 0.95Å | |
| O3B | H2 | sing | 0.97Å | 0.95Å | |
| O2A | H3 | sing | 0.97Å | 0.95Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| O2' | H10 | sing | 0.97Å | 0.95Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | S1 | C2 | 104.2° | 100.0° |
| S1 | C11 | H13 | 109.5° | 109.4° |
| S1 | C11 | H14 | 109.5° | 109.5° |
| S1 | C11 | H15 | 109.4° | 109.4° |
| S1 | C2 | N1 | 122.5° | 118.8° |
| S1 | C2 | N3 | 117.7° | 118.9° |
| C2 | N1 | C6 | 119.9° | 121.1° |
| N1 | C2 | N3 | 119.8° | 122.3° |
| N1 | C6 | N6 | 121.0° | 120.7° |
| N1 | C6 | C5 | 120.3° | 118.6° |
| C2 | N3 | C4 | 120.3° | 120.6° |
| N6 | C6 | C5 | 118.6° | 120.7° |
| C6 | N6 | H16 | 109.5° | 119.9° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C6 | C5 | C4 | 119.5° | 118.3° |
| C6 | C5 | N7 | 133.4° | 134.6° |
| N3 | C4 | C5 | 120.2° | 119.2° |
| N3 | C4 | N9 | 131.3° | 134.8° |
| C4 | C5 | N7 | 107.1° | 107.1° |
| C5 | C4 | N9 | 108.4° | 106.0° |
| C5 | N7 | C8 | 108.0° | 109.5° |
| C4 | N9 | C8 | 107.4° | 107.4° |
| C4 | N9 | C1' | 124.3° | 126.2° |
| N7 | C8 | N9 | 108.9° | 110.0° |
| N7 | C8 | H12 | 125.6° | 125.0° |
| C8 | N9 | C1' | 128.2° | 126.3° |
| N9 | C8 | H12 | 125.5° | 125.0° |
| N9 | C1' | O4' | 112.6° | 110.4° |
| N9 | C1' | C2' | 111.3° | 110.3° |
| N9 | C1' | H11 | 108.6° | 110.5° |
| C1' | O4' | C4' | 108.4° | 105.3° |
| O4' | C1' | C2' | 106.9° | 104.8° |
| O4' | C1' | H11 | 109.1° | 110.4° |
| O4' | C4' | C5' | 111.9° | 110.4° |
| O4' | C4' | C3' | 106.6° | 104.8° |
| O4' | C4' | H6 | 109.4° | 110.5° |
| C1' | C2' | O2' | 111.0° | 110.5° |
| C1' | C2' | C3' | 104.3° | 104.1° |
| C1' | C2' | H9 | 108.9° | 110.6° |
| C2' | C1' | H11 | 108.3° | 110.4° |
| C5' | C4' | C3' | 112.3° | 110.4° |
| C4' | C5' | O5' | 110.1° | 109.5° |
| C4' | C5' | H4 | 109.3° | 109.5° |
| C4' | C5' | H5 | 109.3° | 109.5° |
| C5' | C4' | H6 | 108.2° | 110.3° |
| C4' | C3' | C2' | 103.3° | 104.0° |
| C4' | C3' | O3' | 111.8° | 110.5° |
| C3' | C4' | H6 | 108.4° | 110.3° |
| C4' | C3' | H7 | 109.8° | 110.5° |
| O1A | PA | O5' | 111.3° | 109.5° |
| O1A | PA | O2A | 120.1° | 109.4° |
| O1A | PA | O3A | 110.6° | 109.5° |
| O2' | C2' | C3' | 112.9° | 110.5° |
| O2' | C2' | H9 | 110.3° | 110.5° |
| C2' | O2' | H10 | 109.5° | 113.9° |
| C2' | C3' | O3' | 110.0° | 110.6° |
| C2' | C3' | H7 | 110.4° | 110.5° |
| C3' | C2' | H9 | 109.2° | 110.6° |
| C5' | O5' | PA | 123.8° | 123.0° |
| O5' | C5' | H4 | 109.3° | 109.5° |
| O5' | C5' | H5 | 109.3° | 109.4° |
| O3' | C3' | H7 | 111.3° | 110.5° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| O5' | PA | O2A | 103.9° | 109.5° |
| O5' | PA | O3A | 96.3° | 109.5° |
| O2A | PA | O3A | 112.0° | 109.4° |
| PA | O2A | H3 | 109.5° | 114.0° |
| PA | O3A | PB | 128.0° | 134.0° |
| O1B | PB | O3A | 115.9° | 109.5° |
| O1B | PB | O3B | 112.1° | 109.5° |
| O1B | PB | O2B | 112.0° | 109.4° |
| O3A | PB | O3B | 107.8° | 109.5° |
| O3A | PB | O2B | 101.6° | 109.5° |
| O3B | PB | O2B | 106.5° | 109.5° |
| PB | O3B | H2 | 109.5° | 114.0° |
| PB | O2B | H1 | 109.5° | 114.0° |
| H4 | C5' | H5 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | N6 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | S1 | C2 | N1 | 25.4° | 0.1° |
| C11 | S1 | C2 | N3 | 156.7° | 180.0° |
| S1 | C11 | H13 | H14 | 120.0° | 120.0° |
| S1 | C11 | H13 | H15 | 120.0° | 119.9° |
| S1 | C11 | H14 | H15 | 120.0° | 120.0° |
| S1 | C2 | N1 | N3 | 177.8° | 179.9° |
| S1 | C2 | N1 | C6 | 179.1° | 179.5° |
| S1 | C2 | N3 | C4 | 179.3° | 180.0° |
| C2 | S1 | C11 | H13 | 180.0° | 180.0° |
| C2 | S1 | C11 | H14 | 60.0° | 60.0° |
| C2 | S1 | C11 | H15 | 60.0° | 60.0° |
| C2 | N1 | C6 | N6 | 176.1° | 180.0° |
| C2 | N1 | C6 | C5 | 1.5° | 0.9° |
| N1 | C2 | N3 | C4 | 2.8° | 0.1° |
| C6 | N1 | C2 | N3 | 3.1° | 0.6° |
| N1 | C6 | N6 | C5 | 177.6° | 179.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.8° |
| N1 | C6 | C5 | N7 | 179.5° | 179.7° |
| N1 | C6 | N6 | H16 | 0.0° | 0.0° |
| N1 | C6 | N6 | H17 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| C2 | N3 | C4 | N9 | 177.9° | 179.5° |
| N6 | C6 | C5 | C4 | 178.1° | 179.9° |
| N6 | C6 | C5 | N7 | 1.9° | 0.6° |
| C6 | N6 | H16 | H17 | 120.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.8° | 0.4° |
| C6 | C5 | C4 | N7 | 180.0° | 179.6° |
| C6 | C5 | C4 | N9 | 176.8° | 180.0° |
| C6 | C5 | N7 | C8 | 177.0° | 179.8° |
| C5 | C6 | N6 | H16 | 177.6° | 179.1° |
| C5 | C6 | N6 | H17 | 62.4° | 0.9° |
| N3 | C4 | C5 | N9 | 177.7° | 179.7° |
| N3 | C4 | C5 | N7 | 179.2° | 180.0° |
| N3 | C4 | N9 | C8 | 179.4° | 179.9° |
| N3 | C4 | N9 | C1' | 4.7° | 0.2° |
| C4 | C5 | N7 | C8 | 3.0° | 0.2° |
| C5 | C4 | N9 | C8 | 2.1° | 0.3° |
| C5 | C4 | N9 | C1' | 178.0° | 179.8° |
| N7 | C5 | C4 | N9 | 3.2° | 0.3° |
| C5 | N7 | C8 | N9 | 1.7° | 0.0° |
| C5 | N7 | C8 | H12 | 178.3° | 180.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.2° |
| C4 | N9 | C8 | C1' | 175.6° | 179.9° |
| C4 | N9 | C1' | O4' | 104.1° | 156.7° |
| C4 | N9 | C1' | C2' | 136.0° | 88.0° |
| C4 | N9 | C1' | H11 | 16.8° | 34.3° |
| C4 | N9 | C8 | H12 | 179.7° | 179.8° |
| N7 | C8 | N9 | H12 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 175.9° | 179.9° |
| C8 | N9 | C1' | O4' | 81.0° | 23.5° |
| C8 | N9 | C1' | C2' | 39.0° | 91.9° |
| C8 | N9 | C1' | H11 | 158.1° | 145.8° |
| N9 | C1' | O4' | C2' | 122.5° | 118.8° |
| N9 | C1' | O4' | H11 | 120.6° | 122.4° |
| N9 | C1' | O4' | C4' | 131.7° | 159.3° |
| N9 | C1' | C2' | H11 | 119.4° | 122.3° |
| N9 | C1' | C2' | O2' | 88.4° | 98.6° |
| N9 | C1' | C2' | C3' | 149.8° | 142.8° |
| N9 | C1' | C2' | H9 | 33.3° | 24.1° |
| C1' | N9 | C8 | H12 | 4.1° | 0.1° |
| O4' | C1' | C2' | H11 | 117.4° | 118.9° |
| C1' | O4' | C4' | C5' | 111.7° | 159.4° |
| C1' | O4' | C4' | C3' | 11.4° | 40.5° |
| O4' | C1' | C2' | O2' | 148.4° | 142.6° |
| O4' | C1' | C2' | C3' | 26.5° | 24.0° |
| C1' | O4' | C4' | H6 | 128.4° | 78.3° |
| O4' | C1' | C2' | H9 | 90.0° | 94.7° |
| C4' | O4' | C1' | C2' | 9.2° | 40.5° |
| O4' | C4' | C5' | C3' | 119.8° | 115.4° |
| O4' | C4' | C5' | H6 | 120.6° | 122.4° |
| O4' | C4' | C3' | H6 | 117.6° | 119.0° |
| O4' | C4' | C3' | C2' | 27.6° | 24.0° |
| O4' | C4' | C5' | O5' | 73.0° | 69.6° |
| O4' | C4' | C3' | O3' | 90.7° | 142.7° |
| O4' | C4' | C5' | H4 | 47.1° | 50.4° |
| O4' | C4' | C5' | H5 | 166.9° | 170.4° |
| O4' | C4' | C3' | H7 | 145.3° | 94.7° |
| C4' | O4' | C1' | H11 | 107.7° | 78.3° |
| C1' | C2' | C3' | C4' | 32.5° | 0.0° |
| C1' | C2' | O2' | C3' | 116.7° | 114.6° |
| C1' | C2' | O2' | H9 | 120.9° | 122.7° |
| C1' | C2' | C3' | H9 | 116.3° | 118.8° |
| C1' | C2' | C3' | O3' | 87.1° | 118.7° |
| C1' | C2' | C3' | H7 | 149.8° | 118.7° |
| C1' | C2' | O2' | H10 | 180.0° | 176.1° |
| C5' | C4' | C3' | H6 | 119.5° | 122.2° |
| C5' | C4' | C3' | C2' | 95.3° | 142.8° |
| C4' | C5' | O5' | H4 | 120.1° | 120.0° |
| C4' | C5' | O5' | H5 | 120.1° | 120.0° |
| C5' | C4' | C3' | O3' | 146.4° | 98.4° |
| C4' | C5' | O5' | PA | 166.0° | 180.0° |
| C4' | C5' | H4 | H5 | 119.7° | 120.0° |
| C5' | C4' | C3' | H7 | 22.4° | 24.2° |
| C4' | C3' | C2' | O2' | 153.1° | 118.6° |
| C4' | C3' | C2' | O3' | 119.5° | 118.7° |
| C4' | C3' | C2' | H7 | 117.3° | 118.6° |
| C3' | C4' | C5' | O5' | 46.8° | 174.9° |
| C4' | C3' | O3' | H7 | 123.2° | 122.6° |
| C3' | C4' | C5' | H4 | 166.9° | 65.1° |
| C3' | C4' | C5' | H5 | 73.3° | 55.0° |
| C4' | C3' | O3' | H8 | 180.0° | 180.0° |
| C4' | C3' | C2' | H9 | 83.8° | 118.8° |
| O1A | PA | O5' | C5' | 45.4° | 54.9° |
| O1A | PA | O5' | O2A | 130.5° | 120.0° |
| O1A | PA | O5' | O3A | 115.0° | 120.0° |
| O1A | PA | O2A | O3A | 132.1° | 120.0° |
| O1A | PA | O3A | PB | 36.9° | 40.0° |
| O1A | PA | O2A | H3 | 0.0° | 180.0° |
| O2' | C2' | C3' | H9 | 123.1° | 122.6° |
| O2' | C2' | C3' | O3' | 33.5° | 0.1° |
| O2' | C2' | C3' | H7 | 89.6° | 122.7° |
| O2' | C2' | C1' | H11 | 31.0° | 23.8° |
| C2' | C3' | O3' | H7 | 122.6° | 122.7° |
| C2' | C3' | C4' | H6 | 145.2° | 95.0° |
| C2' | C3' | O3' | H8 | 65.8° | 65.3° |
| C3' | C2' | O2' | H10 | 63.4° | 61.5° |
| C3' | C2' | C1' | H11 | 90.9° | 94.9° |
| C5' | O5' | PA | O2A | 176.0° | 65.0° |
| C5' | O5' | PA | O3A | 69.5° | 175.0° |
| O5' | C5' | H4 | H5 | 119.7° | 120.0° |
| O5' | C5' | C4' | H6 | 166.4° | 52.7° |
| O3' | C3' | C4' | H6 | 26.9° | 23.8° |
| O3' | C3' | C2' | H9 | 156.6° | 122.5° |
| O5' | PA | O2A | O3A | 102.8° | 120.0° |
| O5' | PA | O3A | PB | 152.4° | 160.0° |
| O5' | PA | O2A | H3 | 125.1° | 60.0° |
| PA | O5' | C5' | H4 | 45.9° | 60.0° |
| PA | O5' | C5' | H5 | 73.9° | 60.1° |
| O2A | PA | O3A | PB | 99.8° | 80.0° |
| PA | O3A | PB | O1B | 85.2° | 40.0° |
| PA | O3A | PB | O3B | 41.3° | 80.0° |
| PA | O3A | PB | O2B | 153.1° | 160.0° |
| O3A | PA | O2A | H3 | 132.2° | 60.0° |
| O1B | PB | O3A | O3B | 126.6° | 120.0° |
| O1B | PB | O3A | O2B | 121.6° | 120.0° |
| O1B | PB | O3B | O2B | 122.8° | 120.0° |
| O1B | PB | O2B | H1 | 0.0° | 60.0° |
| O1B | PB | O3B | H2 | 0.0° | 180.0° |
| O3A | PB | O3B | O2B | 108.4° | 120.1° |
| O3A | PB | O2B | H1 | 124.3° | 180.0° |
| O3A | PB | O3B | H2 | 128.7° | 60.0° |
| O3B | PB | O2B | H1 | 122.9° | 60.0° |
| O2B | PB | O3B | H2 | 122.8° | 60.0° |
| H4 | C5' | C4' | H6 | 73.5° | 172.7° |
| H5 | C5' | C4' | H6 | 46.3° | 67.2° |
| H6 | C4' | C3' | H7 | 97.1° | 146.4° |
| H7 | C3' | O3' | H8 | 56.8° | 57.4° |
| H7 | C3' | C2' | H9 | 33.5° | 0.1° |
| H9 | C2' | O2' | H10 | 59.1° | 61.2° |
| H9 | C2' | C1' | H11 | 152.6° | 146.4° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
