7NA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1J | C1A | sing | 1.43Å | 1.43Å | |
C1A | H1A | sing | 1.09Å | 1.10Å | |
C1A | H1AA | sing | 1.09Å | 1.10Å | |
C1A | H1AB | sing | 1.09Å | 1.10Å | |
C1B | C1L | sing | 1.51Å | 1.39Å | |
C1B | H1B | sing | 1.09Å | 1.10Å | |
C1B | H1BA | sing | 1.09Å | 1.10Å | |
C1B | H1BB | sing | 1.09Å | 1.10Å | |
C1K | O1C | sing | 1.35Å | 1.25Å | |
O1C | HO1C | sing | 0.97Å | 0.95Å | |
O1D | C1K | doub | 1.22Å | 1.25Å | |
O1E | C1N | sing | 1.36Å | 1.36Å | |
O1E | HO1E | sing | 0.97Å | 0.95Å | |
C1F | C1N | doub | 1.40Å | 1.39Å | Aromatic |
C1F | C1G | sing | 1.36Å | 1.39Å | Aromatic |
C1F | H1F | sing | 1.08Å | 1.08Å | |
C1G | C1P | doub | 1.41Å | 1.39Å | Aromatic |
C1G | H1G | sing | 1.08Å | 1.08Å | |
C1L | C1H | doub | 1.36Å | 1.39Å | Aromatic |
C1H | C1M | sing | 1.40Å | 1.39Å | Aromatic |
C1H | H1H | sing | 1.08Å | 1.08Å | |
C1Q | C1I | sing | 1.40Å | 1.39Å | Aromatic |
C1I | C1M | doub | 1.38Å | 1.39Å | Aromatic |
C1I | H1I | sing | 1.08Å | 1.08Å | |
C1M | O1J | sing | 1.36Å | 1.36Å | |
C1O | C1K | sing | 1.47Å | 1.53Å | |
C1P | C1L | sing | 1.41Å | 1.39Å | Aromatic |
C1N | C1O | sing | 1.40Å | 1.39Å | Aromatic |
C1O | C1Q | doub | 1.46Å | 1.39Å | Aromatic |
C1P | C1Q | sing | 1.42Å | 1.39Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1J | C1A | H1A | 109.5° | 109.5° |
O1J | C1A | H1AA | 109.5° | 109.4° |
O1J | C1A | H1AB | 109.5° | 109.5° |
C1A | O1J | C1M | 110.1° | 117.0° |
H1A | C1A | H1AA | 109.5° | 109.5° |
H1A | C1A | H1AB | 109.5° | 109.5° |
H1AA | C1A | H1AB | 109.5° | 109.4° |
C1L | C1B | H1B | 109.5° | 109.5° |
C1L | C1B | H1BA | 109.5° | 109.5° |
C1L | C1B | H1BB | 109.5° | 109.4° |
C1B | C1L | C1H | 119.9° | 120.1° |
C1B | C1L | C1P | 120.2° | 120.0° |
H1B | C1B | H1BA | 109.5° | 109.5° |
H1B | C1B | H1BB | 109.4° | 109.4° |
H1BA | C1B | H1BB | 109.5° | 109.5° |
C1K | O1C | HO1C | 109.5° | 117.0° |
O1C | C1K | O1D | 124.0° | 120.0° |
O1C | C1K | C1O | 118.6° | 120.0° |
O1D | C1K | C1O | 117.4° | 120.0° |
C1N | O1E | HO1E | 109.5° | 114.0° |
O1E | C1N | C1F | 120.0° | 119.8° |
O1E | C1N | C1O | 119.9° | 119.9° |
C1N | C1F | C1G | 120.2° | 121.8° |
C1N | C1F | H1F | 119.9° | 119.1° |
C1F | C1N | C1O | 120.1° | 120.4° |
C1G | C1F | H1F | 119.9° | 119.1° |
C1F | C1G | C1P | 120.0° | 120.9° |
C1F | C1G | H1G | 120.0° | 119.5° |
C1P | C1G | H1G | 120.0° | 119.6° |
C1G | C1P | C1L | 120.0° | 121.1° |
C1G | C1P | C1Q | 119.8° | 119.5° |
C1L | C1H | C1M | 119.9° | 120.9° |
C1L | C1H | H1H | 120.1° | 119.6° |
C1H | C1L | C1P | 119.9° | 119.9° |
C1M | C1H | H1H | 120.0° | 119.5° |
C1H | C1M | C1I | 120.1° | 120.6° |
C1H | C1M | O1J | 120.4° | 119.7° |
C1Q | C1I | C1M | 120.2° | 119.5° |
C1Q | C1I | H1I | 119.9° | 120.2° |
C1I | C1Q | C1O | 119.9° | 121.3° |
C1I | C1Q | C1P | 119.7° | 119.7° |
C1M | C1I | H1I | 119.9° | 120.3° |
C1I | C1M | O1J | 119.6° | 119.7° |
C1K | C1O | C1N | 119.4° | 120.7° |
C1K | C1O | C1Q | 121.0° | 120.8° |
C1L | C1P | C1Q | 120.2° | 119.4° |
C1N | C1O | C1Q | 119.6° | 118.5° |
C1O | C1Q | C1P | 120.4° | 118.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1J | C1A | H1A | H1AA | 120.0° | 120.0° |
O1J | C1A | H1A | H1AB | 120.0° | 120.0° |
O1J | C1A | H1AA | H1AB | 120.0° | 120.0° |
C1A | O1J | C1M | C1H | 150.4° | 0.0° |
C1A | O1J | C1M | C1I | 29.1° | 179.9° |
H1A | C1A | H1AA | H1AB | 120.0° | 120.0° |
H1A | C1A | O1J | C1M | 180.0° | 180.0° |
H1AA | C1A | O1J | C1M | 60.0° | 60.0° |
H1AB | C1A | O1J | C1M | 60.0° | 60.0° |
C1L | C1B | H1B | H1BA | 120.0° | 120.0° |
C1L | C1B | H1B | H1BB | 120.0° | 119.9° |
C1L | C1B | H1BA | H1BB | 120.0° | 120.0° |
C1B | C1L | C1P | C1G | 1.3° | 0.0° |
C1B | C1L | C1H | C1P | 179.4° | 180.0° |
C1B | C1L | C1H | C1M | 179.2° | 179.9° |
C1B | C1L | C1H | H1H | 0.8° | 0.1° |
C1B | C1L | C1P | C1Q | 178.9° | 180.0° |
H1B | C1B | H1BA | H1BB | 120.0° | 120.0° |
H1B | C1B | C1L | C1H | 90.3° | 89.9° |
H1B | C1B | C1L | C1P | 90.3° | 90.0° |
H1BA | C1B | C1L | C1H | 149.7° | 150.0° |
H1BA | C1B | C1L | C1P | 29.7° | 30.0° |
H1BB | C1B | C1L | C1H | 29.7° | 30.0° |
H1BB | C1B | C1L | C1P | 149.7° | 150.0° |
O1C | C1K | O1D | C1O | 179.1° | 180.0° |
O1C | C1K | C1O | C1N | 173.7° | 89.9° |
O1C | C1K | C1O | C1Q | 8.4° | 89.9° |
HO1C | O1C | C1K | O1D | 0.0° | 0.0° |
HO1C | O1C | C1K | C1O | 179.1° | 180.0° |
O1D | C1K | C1O | C1N | 7.2° | 90.1° |
O1D | C1K | C1O | C1Q | 170.7° | 90.1° |
O1E | C1N | C1F | C1O | 179.2° | 179.8° |
O1E | C1N | C1F | C1G | 179.1° | 180.0° |
O1E | C1N | C1F | H1F | 0.9° | 0.4° |
O1E | C1N | C1O | C1K | 1.4° | 0.2° |
O1E | C1N | C1O | C1Q | 179.3° | 179.9° |
HO1E | O1E | C1N | C1F | 174.7° | 90.0° |
HO1E | O1E | C1N | C1O | 4.6° | 89.8° |
C1N | C1F | C1G | H1F | 180.0° | 179.6° |
C1N | C1F | C1G | C1P | 0.1° | 0.1° |
C1N | C1F | C1G | H1G | 179.9° | 180.0° |
C1F | C1N | C1O | C1K | 177.9° | 180.0° |
C1F | C1N | C1O | C1Q | 0.1° | 0.1° |
C1F | C1G | C1P | H1G | 180.0° | 180.0° |
C1F | C1G | C1P | C1L | 179.8° | 180.0° |
C1G | C1F | C1N | C1O | 0.1° | 0.1° |
C1F | C1G | C1P | C1Q | 0.1° | 0.0° |
H1F | C1F | C1G | C1P | 179.9° | 179.7° |
H1F | C1F | C1G | H1G | 0.1° | 0.4° |
H1F | C1F | C1N | C1O | 179.9° | 179.7° |
C1G | C1P | C1L | C1H | 179.3° | 179.9° |
C1G | C1P | C1Q | C1I | 179.4° | 180.0° |
C1G | C1P | C1L | C1Q | 179.7° | 180.0° |
C1G | C1P | C1Q | C1O | 0.3° | 0.0° |
H1G | C1G | C1P | C1L | 0.2° | 0.0° |
H1G | C1G | C1P | C1Q | 179.9° | 180.0° |
C1L | C1H | C1M | H1H | 180.0° | 179.8° |
C1L | C1H | C1M | C1I | 0.2° | 0.1° |
C1L | C1H | C1M | O1J | 179.2° | 180.0° |
C1H | C1L | C1P | C1Q | 0.5° | 0.0° |
C1H | C1M | C1I | C1Q | 0.4° | 0.1° |
C1H | C1M | C1I | O1J | 179.4° | 179.9° |
C1H | C1M | C1I | H1I | 179.6° | 180.0° |
C1M | C1H | C1L | C1P | 0.2° | 0.1° |
H1H | C1H | C1M | C1I | 179.8° | 180.0° |
H1H | C1H | C1M | O1J | 0.8° | 0.1° |
H1H | C1H | C1L | C1P | 179.8° | 180.0° |
C1Q | C1I | C1M | H1I | 180.0° | 179.9° |
C1Q | C1I | C1M | O1J | 179.0° | 180.0° |
C1I | C1Q | C1O | C1K | 2.7° | 0.1° |
C1I | C1Q | C1P | C1L | 0.3° | 0.0° |
C1I | C1Q | C1O | C1N | 179.4° | 179.9° |
C1I | C1Q | C1O | C1P | 179.7° | 180.0° |
C1M | C1I | C1Q | C1O | 179.6° | 180.0° |
C1M | C1I | C1Q | C1P | 0.1° | 0.0° |
H1I | C1I | C1M | O1J | 1.0° | 0.1° |
H1I | C1I | C1Q | C1O | 0.4° | 0.0° |
H1I | C1I | C1Q | C1P | 179.9° | 180.0° |
C1K | C1O | C1N | C1Q | 178.0° | 179.9° |
C1K | C1O | C1Q | C1P | 177.6° | 179.9° |
C1L | C1P | C1Q | C1O | 180.0° | 180.0° |
C1N | C1O | C1Q | C1P | 0.3° | 0.0° |