130
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.38Å | |
| C2 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.29Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.31Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | N1 | sing | 1.38Å | 1.30Å | |
| C7 | N2 | doub | 1.30Å | 1.32Å | |
| N1 | HH11 | sing | 0.97Å | 1.00Å | |
| N1 | HH12 | sing | 0.97Å | 1.00Å | |
| N2 | HH21 | sing | 0.97Å | 1.00Å | |
| N3 | C8 | sing | 1.37Å | 1.30Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | C8 | doub | 1.31Å | 1.34Å | Aromatic |
| C8 | C1' | sing | 1.48Å | 1.40Å | Aromatic |
| C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.42Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | HC'2 | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
| C3' | HC'3 | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | HC'4 | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.40Å | 1.41Å | Aromatic |
| C5' | C1B | sing | 1.48Å | 1.41Å | Aromatic |
| C6' | O6' | sing | 1.36Å | 1.38Å | |
| O6' | HO6 | sing | 0.97Å | 0.95Å | |
| C1B | C2B | doub | 1.39Å | 1.40Å | Aromatic |
| C1B | C6B | sing | 1.39Å | 1.42Å | Aromatic |
| C2B | C3B | sing | 1.38Å | 1.39Å | Aromatic |
| C2B | H2' | sing | 1.08Å | 1.08Å | |
| C3B | C4B | doub | 1.38Å | 1.40Å | Aromatic |
| C3B | H3' | sing | 1.08Å | 1.08Å | |
| C4B | C5B | sing | 1.38Å | 1.39Å | Aromatic |
| C4B | H4' | sing | 1.08Å | 1.08Å | |
| C5B | C6B | doub | 1.38Å | 1.39Å | Aromatic |
| C5B | H5' | sing | 1.08Å | 1.08Å | |
| C6B | H6' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 120.3° |
| C2 | C1 | C7 | 119.4° | 119.9° |
| C1 | C2 | C3 | 120.7° | 120.4° |
| C1 | C2 | HC2 | 119.7° | 119.8° |
| C6 | C1 | C7 | 121.0° | 119.9° |
| C1 | C6 | C5 | 118.2° | 119.5° |
| C1 | C6 | HC6 | 120.9° | 120.3° |
| C1 | C7 | N1 | 118.9° | 120.0° |
| C1 | C7 | N2 | 119.5° | 120.0° |
| C3 | C2 | HC2 | 119.6° | 119.8° |
| C2 | C3 | C4 | 117.9° | 120.2° |
| C2 | C3 | HC3 | 121.1° | 119.9° |
| C4 | C3 | HC3 | 121.0° | 119.9° |
| C3 | C4 | C5 | 122.6° | 120.1° |
| C3 | C4 | N3 | 131.5° | 133.7° |
| C5 | C4 | N3 | 105.9° | 106.2° |
| C4 | C5 | C6 | 121.1° | 119.4° |
| C4 | C5 | N4 | 112.4° | 107.1° |
| C4 | N3 | C8 | 107.2° | 107.3° |
| C4 | N3 | HN3 | 126.4° | 126.4° |
| C6 | C5 | N4 | 126.5° | 133.4° |
| C5 | C6 | HC6 | 120.9° | 120.2° |
| C5 | N4 | C8 | 101.2° | 109.6° |
| N1 | C7 | N2 | 121.6° | 120.0° |
| C7 | N1 | HH11 | 110.1° | 120.0° |
| C7 | N1 | HH12 | 124.9° | 120.0° |
| C7 | N2 | HH21 | 110.1° | 120.0° |
| HH11 | N1 | HH12 | 124.9° | 120.0° |
| C8 | N3 | HN3 | 126.4° | 126.3° |
| N3 | C8 | N4 | 113.3° | 109.8° |
| N3 | C8 | C1' | 122.4° | 125.1° |
| N4 | C8 | C1' | 123.9° | 125.1° |
| C8 | C1' | C2' | 119.2° | 120.1° |
| C8 | C1' | C6' | 121.5° | 120.1° |
| C2' | C1' | C6' | 119.3° | 119.8° |
| C1' | C2' | C3' | 120.9° | 120.2° |
| C1' | C2' | HC'2 | 119.5° | 119.9° |
| C1' | C6' | C5' | 119.7° | 119.6° |
| C1' | C6' | O6' | 119.4° | 120.2° |
| C3' | C2' | HC'2 | 119.5° | 119.9° |
| C2' | C3' | C4' | 119.6° | 120.4° |
| C2' | C3' | HC'3 | 120.2° | 119.8° |
| C4' | C3' | HC'3 | 120.2° | 119.8° |
| C3' | C4' | C5' | 121.8° | 120.3° |
| C3' | C4' | HC'4 | 119.1° | 119.9° |
| C5' | C4' | HC'4 | 119.1° | 119.9° |
| C4' | C5' | C6' | 118.6° | 119.8° |
| C4' | C5' | C1B | 116.3° | 120.1° |
| C6' | C5' | C1B | 125.0° | 120.1° |
| C5' | C6' | O6' | 120.9° | 120.2° |
| C5' | C1B | C2B | 123.2° | 120.2° |
| C5' | C1B | C6B | 118.4° | 120.1° |
| C6' | O6' | HO6 | 109.5° | 106.8° |
| C2B | C1B | C6B | 118.5° | 119.7° |
| C1B | C2B | C3B | 120.3° | 119.9° |
| C1B | C2B | H2' | 119.9° | 120.0° |
| C1B | C6B | C5B | 120.9° | 119.9° |
| C1B | C6B | H6' | 119.5° | 120.0° |
| C3B | C2B | H2' | 119.8° | 120.1° |
| C2B | C3B | C4B | 120.8° | 120.1° |
| C2B | C3B | H3' | 119.6° | 119.9° |
| C4B | C3B | H3' | 119.6° | 120.0° |
| C3B | C4B | C5B | 119.7° | 120.3° |
| C3B | C4B | H4' | 120.2° | 119.8° |
| C5B | C4B | H4' | 120.2° | 119.9° |
| C4B | C5B | C6B | 119.8° | 120.1° |
| C4B | C5B | H5' | 120.1° | 120.0° |
| C6B | C5B | H5' | 120.1° | 119.9° |
| C5B | C6B | H6' | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 179.8° | 179.7° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | HC3 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.5° |
| C2 | C1 | C6 | HC6 | 179.7° | 179.6° |
| C2 | C1 | C7 | N1 | 160.9° | 0.0° |
| C2 | C1 | C7 | N2 | 18.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.3° |
| C6 | C1 | C2 | HC2 | 179.8° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.8° |
| C1 | C6 | C5 | N4 | 179.1° | 179.9° |
| C6 | C1 | C7 | N1 | 19.3° | 179.7° |
| C6 | C1 | C7 | N2 | 160.9° | 0.3° |
| C7 | C1 | C2 | C3 | 179.6° | 180.0° |
| C7 | C1 | C2 | HC2 | 0.4° | 0.0° |
| C7 | C1 | C6 | C5 | 179.4° | 179.8° |
| C7 | C1 | C6 | HC6 | 0.5° | 0.0° |
| C1 | C7 | N1 | N2 | 179.8° | 180.0° |
| C1 | C7 | N1 | HH11 | 180.0° | 179.9° |
| C1 | C7 | N1 | HH12 | 0.0° | 0.3° |
| C1 | C7 | N2 | HH21 | 0.1° | 0.0° |
| C2 | C3 | C4 | HC3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | N3 | 179.1° | 180.0° |
| HC2 | C2 | C3 | C4 | 179.8° | 180.0° |
| HC2 | C2 | C3 | HC3 | 0.2° | 0.1° |
| C3 | C4 | C5 | N3 | 178.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C3 | C4 | C5 | N4 | 178.8° | 179.9° |
| C3 | C4 | N3 | C8 | 178.8° | 180.0° |
| C3 | C4 | N3 | HN3 | 1.3° | 0.1° |
| HC3 | C3 | C4 | C5 | 179.5° | 180.0° |
| HC3 | C3 | C4 | N3 | 0.9° | 0.1° |
| C4 | C5 | C6 | N4 | 179.0° | 179.6° |
| C4 | C5 | C6 | HC6 | 179.9° | 179.7° |
| C5 | C4 | N3 | C8 | 0.0° | 0.1° |
| C5 | C4 | N3 | HN3 | 180.0° | 179.9° |
| C4 | C5 | N4 | C8 | 0.1° | 0.1° |
| N3 | C4 | C5 | C6 | 179.3° | 179.7° |
| N3 | C4 | C5 | N4 | 0.1° | 0.0° |
| C4 | N3 | C8 | HN3 | 180.0° | 179.9° |
| C4 | N3 | C8 | N4 | 0.0° | 0.1° |
| C4 | N3 | C8 | C1' | 173.0° | 180.0° |
| C6 | C5 | N4 | C8 | 179.2° | 179.7° |
| N4 | C5 | C6 | HC6 | 0.9° | 0.1° |
| C5 | N4 | C8 | N3 | 0.1° | 0.1° |
| C5 | N4 | C8 | C1' | 172.8° | 180.0° |
| C7 | N1 | HH11 | HH12 | 180.0° | 179.8° |
| N1 | C7 | N2 | HH21 | 179.9° | 180.0° |
| N2 | C7 | N1 | HH11 | 0.2° | 0.1° |
| N2 | C7 | N1 | HH12 | 179.8° | 179.7° |
| N3 | C8 | N4 | C1' | 172.9° | 179.9° |
| N3 | C8 | C1' | C2' | 175.6° | 39.9° |
| N3 | C8 | C1' | C6' | 5.5° | 140.4° |
| HN3 | N3 | C8 | N4 | 180.0° | 180.0° |
| HN3 | N3 | C8 | C1' | 7.0° | 0.1° |
| N4 | C8 | C1' | C2' | 12.2° | 140.0° |
| N4 | C8 | C1' | C6' | 166.7° | 39.8° |
| C8 | C1' | C2' | C6' | 178.9° | 179.7° |
| C8 | C1' | C2' | C3' | 179.0° | 180.0° |
| C8 | C1' | C2' | HC'2 | 0.9° | 0.1° |
| C8 | C1' | C6' | C5' | 178.5° | 179.8° |
| C8 | C1' | C6' | O6' | 2.9° | 0.2° |
| C1' | C2' | C3' | HC'2 | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.3° | 0.1° |
| C1' | C2' | C3' | HC'3 | 179.7° | 180.0° |
| C2' | C1' | C6' | C5' | 0.4° | 0.5° |
| C2' | C1' | C6' | O6' | 178.3° | 179.9° |
| C6' | C1' | C2' | C3' | 0.1° | 0.3° |
| C6' | C1' | C2' | HC'2 | 179.9° | 179.8° |
| C1' | C6' | C5' | C4' | 0.7° | 0.5° |
| C1' | C6' | C5' | O6' | 178.7° | 179.5° |
| C1' | C6' | C5' | C1B | 176.6° | 179.7° |
| C1' | C6' | O6' | HO6 | 46.3° | 90.5° |
| C2' | C3' | C4' | HC'3 | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 0.0° | 0.0° |
| C2' | C3' | C4' | HC'4 | 180.0° | 180.0° |
| HC'2 | C2' | C3' | C4' | 179.6° | 180.0° |
| HC'2 | C2' | C3' | HC'3 | 0.4° | 0.1° |
| C3' | C4' | C5' | HC'4 | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 0.5° | 0.3° |
| C3' | C4' | C5' | C1B | 177.0° | 180.0° |
| HC'3 | C3' | C4' | C5' | 180.0° | 179.9° |
| HC'3 | C3' | C4' | HC'4 | 0.1° | 0.1° |
| C4' | C5' | C6' | C1B | 177.3° | 179.8° |
| C4' | C5' | C6' | O6' | 177.9° | 180.0° |
| C4' | C5' | C1B | C2B | 127.5° | 60.0° |
| C4' | C5' | C1B | C6B | 50.5° | 120.3° |
| HC'4 | C4' | C5' | C6' | 179.5° | 179.8° |
| HC'4 | C4' | C5' | C1B | 3.0° | 0.0° |
| C5' | C6' | O6' | HO6 | 135.1° | 90.0° |
| C6' | C5' | C1B | C2B | 55.1° | 119.8° |
| C6' | C5' | C1B | C6B | 126.8° | 59.9° |
| C1B | C5' | C6' | O6' | 4.8° | 0.2° |
| C5' | C1B | C2B | C6B | 178.1° | 179.7° |
| C5' | C1B | C2B | C3B | 178.3° | 180.0° |
| C5' | C1B | C2B | H2' | 1.7° | 0.0° |
| C5' | C1B | C6B | C5B | 178.2° | 179.7° |
| C5' | C1B | C6B | H6' | 1.7° | 0.3° |
| C1B | C2B | C3B | H2' | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.5° | 0.0° |
| C1B | C2B | C3B | H3' | 179.5° | 180.0° |
| C2B | C1B | C6B | C5B | 0.1° | 0.6° |
| C2B | C1B | C6B | H6' | 179.9° | 180.0° |
| C6B | C1B | C2B | C3B | 0.2° | 0.3° |
| C6B | C1B | C2B | H2' | 179.8° | 179.7° |
| C1B | C6B | C5B | C4B | 0.2° | 0.6° |
| C1B | C6B | C5B | H6' | 180.0° | 179.4° |
| C1B | C6B | C5B | H5' | 179.8° | 179.7° |
| C2B | C3B | C4B | H3' | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 0.7° | 0.0° |
| C2B | C3B | C4B | H4' | 179.3° | 179.9° |
| H2' | C2B | C3B | C4B | 179.5° | 180.0° |
| H2' | C2B | C3B | H3' | 0.5° | 0.0° |
| C3B | C4B | C5B | H4' | 180.0° | 180.0° |
| C3B | C4B | C5B | C6B | 0.5° | 0.3° |
| C3B | C4B | C5B | H5' | 179.5° | 180.0° |
| H3' | C3B | C4B | C5B | 179.4° | 180.0° |
| H3' | C3B | C4B | H4' | 0.6° | 0.0° |
| C4B | C5B | C6B | H5' | 180.0° | 179.7° |
| C4B | C5B | C6B | H6' | 179.8° | 180.0° |
| H4' | C4B | C5B | C6B | 179.5° | 179.7° |
| H4' | C4B | C5B | H5' | 0.5° | 0.0° |
| H5' | C5B | C6B | H6' | 0.2° | 0.3° |
