Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C1A | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C3A | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C3A | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C3A | C3B | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C5A | sing | 1.42Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C5A | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5A | C5B | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C4' | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C1' | sing | 1.51Å | 1.52Å | |
| C8 | C8A | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C8A | C9 | sing | 1.42Å | 1.40Å | Aromatic |
| C8A | C5B | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C1A | sing | 1.42Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C1A | C3B | sing | 1.41Å | 1.41Å | Aromatic |
| C3B | C5B | sing | 1.41Å | 1.41Å | Aromatic |
| C1' | O1' | sing | 1.43Å | 1.42Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1' | HA | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HB | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HC | sing | 0.97Å | 0.95Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4'2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C1A | 120.0° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.2° | 121.6° |
| C1 | C2 | H2 | 119.9° | 119.2° |
| C1A | C1 | H1 | 120.0° | 120.0° |
| C1 | C1A | C10 | 120.2° | 121.8° |
| C1 | C1A | C3B | 119.9° | 118.8° |
| C3 | C2 | H2 | 119.9° | 119.2° |
| C2 | C3 | C3A | 119.9° | 120.1° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C3A | C3 | H3 | 120.0° | 119.9° |
| C3 | C3A | C4 | 120.5° | 121.9° |
| C3 | C3A | C3B | 120.0° | 118.7° |
| C4 | C3A | C3B | 119.6° | 119.3° |
| C3A | C4 | C5 | 120.3° | 120.9° |
| C3A | C4 | H4 | 119.9° | 119.5° |
| C3A | C3B | C1A | 120.0° | 120.7° |
| C3A | C3B | C5B | 120.1° | 119.6° |
| C5 | C4 | H4 | 119.8° | 119.5° |
| C4 | C5 | C5A | 120.8° | 120.8° |
| C4 | C5 | H5 | 119.6° | 119.6° |
| C5A | C5 | H5 | 119.6° | 119.6° |
| C5 | C5A | C6 | 121.0° | 121.2° |
| C5 | C5A | C5B | 118.8° | 119.4° |
| C6 | C5A | C5B | 120.1° | 119.4° |
| C5A | C6 | C7 | 119.9° | 119.9° |
| C5A | C6 | C4' | 120.0° | 117.5° |
| C5A | C5B | C8A | 119.7° | 120.4° |
| C5A | C5B | C3B | 120.4° | 119.9° |
| C7 | C6 | C4' | 119.9° | 122.7° |
| C6 | C7 | C8 | 119.6° | 120.9° |
| C6 | C7 | C1' | 121.9° | 122.2° |
| C6 | C4' | C3' | 113.7° | 110.7° |
| C6 | C4' | H4'1 | 107.1° | 109.2° |
| C6 | C4' | H4'2 | 108.1° | 109.3° |
| C8 | C7 | C1' | 118.6° | 116.9° |
| C7 | C8 | C8A | 121.0° | 120.9° |
| C7 | C8 | H8 | 119.5° | 119.5° |
| C7 | C1' | O1' | 110.2° | 109.2° |
| C7 | C1' | C2' | 115.4° | 110.7° |
| C7 | C1' | H1' | 104.2° | 109.2° |
| C8A | C8 | H8 | 119.5° | 119.6° |
| C8 | C8A | C9 | 120.3° | 122.1° |
| C8 | C8A | C5B | 119.6° | 118.5° |
| C9 | C8A | C5B | 120.1° | 119.4° |
| C8A | C9 | C10 | 120.1° | 120.9° |
| C8A | C9 | H9 | 120.0° | 119.6° |
| C8A | C5B | C3B | 119.9° | 119.7° |
| C10 | C9 | H9 | 120.0° | 119.6° |
| C9 | C10 | C1A | 120.1° | 120.9° |
| C9 | C10 | H10 | 120.0° | 119.5° |
| C1A | C10 | H10 | 120.0° | 119.6° |
| C10 | C1A | C3B | 119.8° | 119.4° |
| C1A | C3B | C5B | 119.9° | 119.7° |
| O1' | C1' | C2' | 107.6° | 109.2° |
| O1' | C1' | H1' | 112.5° | 109.2° |
| C1' | O1' | HA | 109.5° | 106.8° |
| C2' | C1' | H1' | 107.0° | 109.2° |
| C1' | C2' | O2' | 111.2° | 109.7° |
| C1' | C2' | C3' | 112.9° | 108.3° |
| C1' | C2' | H2' | 105.6° | 109.6° |
| O2' | C2' | C3' | 108.7° | 109.8° |
| O2' | C2' | H2' | 110.1° | 109.7° |
| C2' | O2' | HB | 109.5° | 106.9° |
| C3' | C2' | H2' | 108.3° | 109.7° |
| C2' | C3' | O3' | 109.1° | 109.7° |
| C2' | C3' | C4' | 108.3° | 108.3° |
| C2' | C3' | H3' | 111.9° | 109.7° |
| O3' | C3' | C4' | 113.2° | 109.7° |
| O3' | C3' | H3' | 106.8° | 109.7° |
| C3' | O3' | HC | 109.5° | 106.8° |
| C4' | C3' | H3' | 107.7° | 109.7° |
| C3' | C4' | H4'1 | 107.2° | 109.2° |
| C3' | C4' | H4'2 | 108.1° | 109.2° |
| H4'1 | C4' | H4'2 | 112.8° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C1A | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C3A | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C1A | C10 | 176.3° | 180.0° |
| C2 | C1 | C1A | C3B | 1.5° | 0.0° |
| C1A | C1 | C2 | C3 | 0.6° | 0.0° |
| C1A | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C1A | C3B | C3A | 1.6° | 0.0° |
| C1 | C1A | C10 | C9 | 178.3° | 179.9° |
| C1 | C1A | C10 | C3B | 177.8° | 180.0° |
| C1 | C1A | C10 | H10 | 1.8° | 0.1° |
| C1 | C1A | C3B | C5B | 178.5° | 179.9° |
| H1 | C1 | C2 | C3 | 179.4° | 180.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.0° |
| H1 | C1 | C1A | C10 | 3.7° | 0.0° |
| H1 | C1 | C1A | C3B | 178.5° | 180.0° |
| C2 | C3 | C3A | H3 | 180.0° | 180.0° |
| C2 | C3 | C3A | C4 | 179.8° | 180.0° |
| C2 | C3 | C3A | C3B | 0.0° | 0.0° |
| H2 | C2 | C3 | C3A | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| C3 | C3A | C4 | C3B | 179.8° | 180.0° |
| C3 | C3A | C4 | C5 | 179.7° | 179.9° |
| C3 | C3A | C4 | H4 | 0.3° | 0.1° |
| C3 | C3A | C3B | C1A | 0.8° | 0.0° |
| C3 | C3A | C3B | C5B | 179.2° | 179.9° |
| H3 | C3 | C3A | C4 | 0.2° | 0.0° |
| H3 | C3 | C3A | C3B | 180.0° | 180.0° |
| C3A | C4 | C5 | H4 | 180.0° | 180.0° |
| C3A | C4 | C5 | C5A | 1.0° | 0.0° |
| C3A | C4 | C5 | H5 | 179.0° | 180.0° |
| C4 | C3A | C3B | C1A | 178.9° | 180.0° |
| C4 | C3A | C3B | C5B | 1.0° | 0.1° |
| C3B | C3A | C4 | C5 | 0.5° | 0.1° |
| C3B | C3A | C4 | H4 | 179.5° | 179.9° |
| C3A | C3B | C5B | C5A | 0.0° | 0.1° |
| C3A | C3B | C5B | C8A | 178.9° | 180.0° |
| C3A | C3B | C1A | C10 | 176.2° | 180.0° |
| C3A | C3B | C1A | C5B | 180.0° | 179.9° |
| C4 | C5 | C5A | H5 | 180.0° | 180.0° |
| C4 | C5 | C5A | C6 | 178.5° | 179.8° |
| C4 | C5 | C5A | C5B | 2.0° | 0.0° |
| H4 | C4 | C5 | C5A | 179.0° | 180.0° |
| H4 | C4 | C5 | H5 | 1.0° | 0.0° |
| C5 | C5A | C6 | C5B | 179.5° | 179.8° |
| C5 | C5A | C6 | C7 | 178.0° | 179.8° |
| C5 | C5A | C6 | C4' | 2.3° | 0.3° |
| C5 | C5A | C5B | C8A | 177.4° | 180.0° |
| C5 | C5A | C5B | C3B | 1.5° | 0.0° |
| H5 | C5 | C5A | C6 | 1.5° | 0.3° |
| H5 | C5 | C5A | C5B | 178.0° | 180.0° |
| C5A | C6 | C7 | C4' | 175.7° | 179.9° |
| C5A | C6 | C7 | C8 | 0.8° | 0.3° |
| C5A | C6 | C7 | C1' | 177.6° | 179.3° |
| C6 | C5A | C5B | C8A | 2.1° | 0.2° |
| C6 | C5A | C5B | C3B | 179.0° | 179.8° |
| C5A | C6 | C4' | C3' | 156.4° | 162.4° |
| C5A | C6 | C4' | H4'1 | 38.2° | 42.2° |
| C5A | C6 | C4' | H4'2 | 83.6° | 77.2° |
| C5B | C5A | C6 | C7 | 1.5° | 0.4° |
| C5B | C5A | C6 | C4' | 177.2° | 179.5° |
| C5A | C5B | C8A | C8 | 2.1° | 0.0° |
| C5A | C5B | C8A | C9 | 177.5° | 180.0° |
| C5A | C5B | C8A | C3B | 178.9° | 180.0° |
| C5A | C5B | C3B | C1A | 180.0° | 180.0° |
| C6 | C7 | C8 | C1' | 178.4° | 179.6° |
| C6 | C7 | C8 | C8A | 0.7° | 0.1° |
| C6 | C7 | C8 | H8 | 179.3° | 179.8° |
| C6 | C7 | C1' | O1' | 126.8° | 138.4° |
| C6 | C7 | C1' | C2' | 4.8° | 18.1° |
| C6 | C7 | C1' | H1' | 112.2° | 102.2° |
| C7 | C6 | C4' | C3' | 27.9° | 17.7° |
| C7 | C6 | C4' | H4'1 | 146.1° | 137.9° |
| C7 | C6 | C4' | H4'2 | 92.1° | 102.6° |
| C4' | C6 | C7 | C8 | 176.5° | 179.5° |
| C4' | C6 | C7 | C1' | 1.9° | 0.8° |
| C6 | C4' | C3' | C2' | 55.0° | 51.0° |
| C6 | C4' | C3' | O3' | 66.1° | 68.7° |
| C6 | C4' | C3' | H4'1 | 118.1° | 120.3° |
| C6 | C4' | C3' | H4'2 | 120.0° | 120.4° |
| C6 | C4' | C3' | H3' | 176.1° | 170.7° |
| C6 | C4' | H4'1 | H4'2 | 118.8° | 119.5° |
| C7 | C8 | C8A | H8 | 180.0° | 179.9° |
| C7 | C8 | C8A | C9 | 178.2° | 180.0° |
| C7 | C8 | C8A | C5B | 1.4° | 0.1° |
| C8 | C7 | C1' | O1' | 51.5° | 41.9° |
| C8 | C7 | C1' | C2' | 173.6° | 162.3° |
| C8 | C7 | C1' | H1' | 69.4° | 77.4° |
| C1' | C7 | C8 | C8A | 177.7° | 179.6° |
| C1' | C7 | C8 | H8 | 2.3° | 0.5° |
| C7 | C1' | O1' | C2' | 126.6° | 121.2° |
| C7 | C1' | O1' | H1' | 115.8° | 119.3° |
| C7 | C1' | C2' | H1' | 115.4° | 120.3° |
| C7 | C1' | O1' | HA | 174.2° | 60.0° |
| C7 | C1' | C2' | O2' | 156.2° | 171.3° |
| C7 | C1' | C2' | C3' | 33.7° | 51.4° |
| C7 | C1' | C2' | H2' | 84.4° | 68.2° |
| C8 | C8A | C9 | C5B | 179.6° | 180.0° |
| C8 | C8A | C9 | C10 | 179.2° | 180.0° |
| C8 | C8A | C9 | H9 | 0.8° | 0.0° |
| C8 | C8A | C5B | C3B | 179.0° | 180.0° |
| H8 | C8 | C8A | C9 | 1.8° | 0.1° |
| H8 | C8 | C8A | C5B | 178.6° | 180.0° |
| C8A | C9 | C10 | H9 | 180.0° | 180.0° |
| C8A | C9 | C10 | C1A | 1.5° | 0.0° |
| C8A | C9 | C10 | H10 | 178.5° | 180.0° |
| C9 | C8A | C5B | C3B | 1.4° | 0.0° |
| C5B | C8A | C9 | C10 | 1.1° | 0.0° |
| C5B | C8A | C9 | H9 | 178.9° | 180.0° |
| C8A | C5B | C3B | C1A | 1.1° | 0.1° |
| C9 | C10 | C1A | H10 | 180.0° | 180.0° |
| C9 | C10 | C1A | C3B | 3.9° | 0.1° |
| H9 | C9 | C10 | C1A | 178.5° | 180.0° |
| H9 | C9 | C10 | H10 | 1.6° | 0.0° |
| C10 | C1A | C3B | C5B | 3.7° | 0.1° |
| H10 | C10 | C1A | C3B | 176.0° | 180.0° |
| O1' | C1' | C2' | H1' | 121.1° | 119.4° |
| O1' | C1' | C2' | O2' | 80.3° | 68.4° |
| O1' | C1' | C2' | C3' | 157.2° | 171.8° |
| O1' | C1' | C2' | H2' | 39.1° | 52.1° |
| C2' | C1' | O1' | HA | 59.1° | 178.8° |
| C1' | C2' | O2' | C3' | 124.9° | 118.9° |
| C1' | C2' | O2' | H2' | 116.7° | 120.5° |
| C1' | C2' | C3' | H2' | 116.6° | 119.6° |
| C1' | C2' | O2' | HB | 174.8° | 60.0° |
| C1' | C2' | C3' | O3' | 65.7° | 49.8° |
| C1' | C2' | C3' | C4' | 57.9° | 69.9° |
| C1' | C2' | C3' | H3' | 176.4° | 170.4° |
| H1' | C1' | O1' | HA | 58.5° | 59.4° |
| H1' | C1' | C2' | O2' | 40.8° | 51.0° |
| H1' | C1' | C2' | C3' | 81.7° | 68.8° |
| H1' | C1' | C2' | H2' | 160.2° | 171.5° |
| O2' | C2' | C3' | H2' | 119.5° | 120.7° |
| O2' | C2' | C3' | O3' | 58.2° | 69.9° |
| O2' | C2' | C3' | C4' | 178.2° | 170.4° |
| O2' | C2' | C3' | H3' | 59.7° | 50.7° |
| C3' | C2' | O2' | HB | 50.0° | 178.8° |
| C2' | C3' | O3' | C4' | 120.6° | 118.9° |
| C2' | C3' | O3' | H3' | 121.1° | 120.6° |
| C2' | C3' | C4' | H3' | 121.1° | 119.7° |
| C2' | C3' | O3' | HC | 119.6° | 179.5° |
| C2' | C3' | C4' | H4'1 | 173.1° | 171.3° |
| C2' | C3' | C4' | H4'2 | 65.0° | 69.4° |
| H2' | C2' | O2' | HB | 68.5° | 60.5° |
| H2' | C2' | C3' | O3' | 177.7° | 169.4° |
| H2' | C2' | C3' | C4' | 58.7° | 49.7° |
| H2' | C2' | C3' | H3' | 59.8° | 69.9° |
| O3' | C3' | C4' | H3' | 117.8° | 120.6° |
| O3' | C3' | C4' | H4'1 | 52.0° | 51.6° |
| O3' | C3' | C4' | H4'2 | 173.9° | 170.9° |
| C4' | C3' | O3' | HC | 1.0° | 60.6° |
| C3' | C4' | H4'1 | H4'2 | 118.9° | 119.4° |
| H3' | C3' | O3' | HC | 119.3° | 59.9° |
| H3' | C3' | C4' | H4'1 | 65.8° | 69.0° |
| H3' | C3' | C4' | H4'2 | 56.1° | 50.3° |
