5NA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1B | C1A | doub | 1.39Å | 1.39Å | Aromatic |
C1F | C1A | sing | 1.36Å | 1.39Å | Aromatic |
C1A | H1A | sing | 1.08Å | 1.08Å | |
C1C | C1B | sing | 1.36Å | 1.39Å | Aromatic |
C1B | H1B | sing | 1.08Å | 1.08Å | |
C1O | C1C | sing | 1.51Å | 1.39Å | |
C1D | C1C | doub | 1.40Å | 1.39Å | Aromatic |
C1G | C1D | sing | 1.41Å | 1.39Å | Aromatic |
C1D | C1E | sing | 1.42Å | 1.39Å | Aromatic |
C1J | C1E | sing | 1.46Å | 1.39Å | Aromatic |
C1E | C1F | doub | 1.40Å | 1.39Å | Aromatic |
C1F | H1F | sing | 1.08Å | 1.08Å | |
C1H | C1G | doub | 1.36Å | 1.39Å | Aromatic |
C1G | H1G | sing | 1.08Å | 1.08Å | |
C1H | C1I | sing | 1.40Å | 1.39Å | Aromatic |
C1H | H1H | sing | 1.08Å | 1.08Å | |
O1K | C1I | sing | 1.36Å | 1.36Å | |
C1I | C1J | doub | 1.40Å | 1.39Å | Aromatic |
C1J | C1L | sing | 1.47Å | 1.53Å | |
O1K | HO1K | sing | 0.97Å | 0.95Å | |
O1M | C1L | doub | 1.22Å | 1.25Å | |
C1L | O1N | sing | 1.35Å | 1.25Å | |
O1N | HO1N | sing | 0.97Å | 0.95Å | |
C1O | H1O | sing | 1.09Å | 1.10Å | |
C1O | H1OA | sing | 1.09Å | 1.10Å | |
C1O | H1OB | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1B | C1A | C1F | 120.2° | 120.9° |
C1B | C1A | H1A | 119.9° | 119.5° |
C1A | C1B | C1C | 119.6° | 121.0° |
C1A | C1B | H1B | 120.2° | 119.5° |
C1F | C1A | H1A | 119.9° | 119.6° |
C1A | C1F | C1E | 120.3° | 119.6° |
C1A | C1F | H1F | 119.9° | 120.2° |
C1C | C1B | H1B | 120.2° | 119.5° |
C1B | C1C | C1O | 119.9° | 120.2° |
C1B | C1C | C1D | 120.2° | 119.7° |
C1O | C1C | C1D | 119.8° | 120.1° |
C1C | C1O | H1O | 109.5° | 109.4° |
C1C | C1O | H1OA | 109.5° | 109.5° |
C1C | C1O | H1OB | 109.4° | 109.4° |
C1C | C1D | C1G | 119.8° | 121.3° |
C1C | C1D | C1E | 120.2° | 119.2° |
C1G | C1D | C1E | 120.0° | 119.5° |
C1D | C1G | C1H | 120.1° | 120.9° |
C1D | C1G | H1G | 120.0° | 119.6° |
C1D | C1E | C1J | 119.8° | 118.9° |
C1D | C1E | C1F | 119.6° | 119.7° |
C1J | C1E | C1F | 120.6° | 121.4° |
C1E | C1J | C1I | 120.2° | 118.5° |
C1E | C1J | C1L | 120.7° | 120.7° |
C1E | C1F | H1F | 119.9° | 120.2° |
C1H | C1G | H1G | 119.9° | 119.5° |
C1G | C1H | C1I | 119.9° | 121.7° |
C1G | C1H | H1H | 120.1° | 119.1° |
C1I | C1H | H1H | 120.1° | 119.2° |
C1H | C1I | O1K | 119.9° | 119.7° |
C1H | C1I | C1J | 120.0° | 120.5° |
O1K | C1I | C1J | 120.1° | 119.8° |
C1I | O1K | HO1K | 109.5° | 114.0° |
C1I | C1J | C1L | 119.1° | 120.8° |
C1J | C1L | O1M | 117.6° | 120.0° |
C1J | C1L | O1N | 118.1° | 120.0° |
O1M | C1L | O1N | 124.3° | 120.0° |
C1L | O1N | HO1N | 109.5° | 117.0° |
H1O | C1O | H1OA | 109.5° | 109.5° |
H1O | C1O | H1OB | 109.5° | 109.5° |
H1OA | C1O | H1OB | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1B | C1A | C1F | H1A | 180.0° | 179.7° |
C1A | C1B | C1C | H1B | 180.0° | 180.0° |
C1A | C1B | C1C | C1O | 179.3° | 179.9° |
C1A | C1B | C1C | C1D | 0.2° | 0.1° |
C1B | C1A | C1F | C1E | 0.2° | 0.6° |
C1B | C1A | C1F | H1F | 179.8° | 180.0° |
C1F | C1A | C1B | C1C | 0.0° | 0.3° |
C1F | C1A | C1B | H1B | 180.0° | 179.7° |
C1A | C1F | C1E | C1D | 0.1° | 0.5° |
C1A | C1F | C1E | C1J | 178.5° | 179.7° |
C1A | C1F | C1E | H1F | 180.0° | 179.4° |
H1A | C1A | C1B | C1C | 180.0° | 180.0° |
H1A | C1A | C1B | H1B | 0.0° | 0.0° |
H1A | C1A | C1F | C1E | 179.8° | 179.8° |
H1A | C1A | C1F | H1F | 0.2° | 0.3° |
C1B | C1C | C1O | C1D | 179.5° | 180.0° |
C1B | C1C | C1D | C1G | 178.4° | 180.0° |
C1B | C1C | C1D | C1E | 0.3° | 0.0° |
C1B | C1C | C1O | H1O | 90.2° | 90.0° |
C1B | C1C | C1O | H1OA | 149.8° | 150.0° |
C1B | C1C | C1O | H1OB | 29.8° | 30.0° |
H1B | C1B | C1C | C1O | 0.7° | 0.0° |
H1B | C1B | C1C | C1D | 179.8° | 180.0° |
C1O | C1C | C1D | C1G | 2.1° | 0.1° |
C1O | C1C | C1D | C1E | 179.2° | 180.0° |
C1C | C1O | H1O | H1OA | 120.0° | 120.0° |
C1C | C1O | H1O | H1OB | 120.0° | 119.9° |
C1C | C1O | H1OA | H1OB | 120.0° | 120.0° |
C1C | C1D | C1G | C1E | 178.7° | 179.9° |
C1C | C1D | C1E | C1J | 178.8° | 180.0° |
C1C | C1D | C1E | C1F | 0.1° | 0.3° |
C1C | C1D | C1G | C1H | 178.5° | 179.9° |
C1C | C1D | C1G | H1G | 1.5° | 0.0° |
C1D | C1C | C1O | H1O | 90.2° | 90.0° |
C1D | C1C | C1O | H1OA | 29.8° | 30.0° |
C1D | C1C | C1O | H1OB | 149.8° | 150.0° |
C1G | C1D | C1E | C1J | 0.0° | 0.1° |
C1G | C1D | C1E | C1F | 178.6° | 179.8° |
C1D | C1G | C1H | H1G | 180.0° | 179.9° |
C1D | C1G | C1H | C1I | 0.2° | 0.0° |
C1D | C1G | C1H | H1H | 179.8° | 180.0° |
C1D | C1E | C1J | C1F | 178.6° | 179.7° |
C1D | C1E | C1F | H1F | 179.9° | 180.0° |
C1E | C1D | C1G | C1H | 0.2° | 0.0° |
C1E | C1D | C1G | H1G | 179.8° | 180.0° |
C1D | C1E | C1J | C1I | 0.3° | 0.2° |
C1D | C1E | C1J | C1L | 178.0° | 180.0° |
C1J | C1E | C1F | H1F | 1.5° | 0.3° |
C1E | C1J | C1I | C1H | 0.3° | 0.2° |
C1E | C1J | C1I | O1K | 178.9° | 179.9° |
C1E | C1J | C1I | C1L | 178.3° | 179.8° |
C1E | C1J | C1L | O1M | 171.1° | 90.2° |
C1E | C1J | C1L | O1N | 9.2° | 89.8° |
C1F | C1E | C1J | C1I | 178.3° | 179.9° |
C1F | C1E | C1J | C1L | 3.4° | 0.3° |
C1G | C1H | C1I | H1H | 180.0° | 180.0° |
C1G | C1H | C1I | O1K | 179.1° | 180.0° |
C1G | C1H | C1I | C1J | 0.0° | 0.1° |
H1G | C1G | C1H | C1I | 179.8° | 179.9° |
H1G | C1G | C1H | H1H | 0.2° | 0.0° |
C1H | C1I | O1K | C1J | 179.1° | 179.9° |
C1H | C1I | C1J | C1L | 178.0° | 180.0° |
C1H | C1I | O1K | HO1K | 174.9° | 90.0° |
H1H | C1H | C1I | O1K | 0.9° | 0.0° |
H1H | C1H | C1I | C1J | 180.0° | 179.9° |
O1K | C1I | C1J | C1L | 2.8° | 0.1° |
C1J | C1I | O1K | HO1K | 6.0° | 89.9° |
C1I | C1J | C1L | O1M | 7.2° | 90.0° |
C1I | C1J | C1L | O1N | 172.5° | 90.0° |
C1J | C1L | O1M | O1N | 179.7° | 180.0° |
C1J | C1L | O1N | HO1N | 179.7° | 180.0° |
O1M | C1L | O1N | HO1N | 0.0° | 0.0° |
H1O | C1O | H1OA | H1OB | 120.0° | 120.0° |