Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1L | C1J | sing | 1.53Å | 1.57Å | |
C1L | C1Y | sing | 1.53Å | 1.55Å | |
C1J | N1W | sing | 1.47Å | 1.45Å | |
N1W | C1A | sing | 1.47Å | 1.48Å | |
N1W | C1K | sing | 1.47Å | 1.51Å | |
C1K | C1M | sing | 1.53Å | 1.56Å | |
C1M | C1Y | sing | 1.53Å | 1.50Å | |
C1Y | N1N | sing | 1.46Å | 1.48Å | |
C1Y | C1V | sing | 1.53Å | 1.55Å | |
N1N | C1O | sing | 1.35Å | 1.37Å | |
C1O | O1D | doub | 1.22Å | 1.22Å | |
C1O | C1R | sing | 1.47Å | 1.40Å | |
C1R | N1X | sing | 1.37Å | 1.33Å | |
C1R | C1S | doub | 1.38Å | 1.42Å | |
N1X | C1B | sing | 1.46Å | 1.48Å | |
N1X | C1U | sing | 1.37Å | 1.35Å | |
C1U | C1Q | doub | 1.39Å | 1.40Å | |
C1U | C1T | sing | 1.42Å | 1.40Å | |
C1Q | CL1F | sing | 1.74Å | 1.73Å | |
C1Q | C1P | sing | 1.39Å | 1.38Å | |
C1P | CL1E | sing | 1.74Å | 1.72Å | |
C1P | C1H | doub | 1.39Å | 1.39Å | |
C1H | C1I | sing | 1.37Å | 1.38Å | |
C1I | C1T | doub | 1.40Å | 1.39Å | |
C1T | C1S | sing | 1.39Å | 1.40Å | Aromatic |
C1S | C1V | sing | 1.51Å | 1.54Å | Aromatic |
C1V | C1G | sing | 1.47Å | 1.46Å | |
C1G | N1C | trip | 1.14Å | 1.13Å | Aromatic |
C1L | H1L | sing | 1.09Å | 1.10Å | |
C1L | H1LA | sing | 1.09Å | 1.10Å | |
C1J | H1J | sing | 1.09Å | 1.10Å | |
C1J | H1JA | sing | 1.09Å | 1.10Å | Aromatic |
C1A | H1A | sing | 1.09Å | 1.10Å | Aromatic |
C1A | H1AA | sing | 1.09Å | 1.10Å | |
C1A | H1AB | sing | 1.09Å | 1.10Å | Aromatic |
C1K | H1K | sing | 1.09Å | 1.10Å | |
C1K | H1KA | sing | 1.09Å | 1.10Å | Aromatic |
C1M | H1M | sing | 1.09Å | 1.10Å | Aromatic |
C1M | H1MA | sing | 1.09Å | 1.10Å | |
N1N | HN1N | sing | 0.97Å | 1.00Å | Aromatic |
C1B | H1B | sing | 1.09Å | 1.10Å | |
C1B | H1BA | sing | 1.09Å | 1.10Å | Aromatic |
C1B | H1BB | sing | 1.09Å | 1.10Å | |
C1H | H1H | sing | 1.08Å | 1.08Å | |
C1I | H1I | sing | 1.08Å | 1.08Å | |
C1V | H1V | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1J | C1L | C1Y | 111.2° | 109.2° |
C1L | C1J | N1W | 108.3° | 109.5° |
C1J | C1L | H1L | 108.9° | 109.5° |
C1J | C1L | H1LA | 108.5° | 109.5° |
C1L | C1J | H1J | 109.9° | 109.4° |
C1L | C1J | H1JA | 110.1° | 109.5° |
C1L | C1Y | C1M | 107.5° | 108.7° |
C1L | C1Y | N1N | 102.6° | 109.2° |
C1L | C1Y | C1V | 111.5° | 108.9° |
C1Y | C1L | H1L | 108.9° | 109.6° |
C1Y | C1L | H1LA | 108.5° | 109.6° |
C1J | N1W | C1A | 118.4° | 111.0° |
C1J | N1W | C1K | 101.8° | 111.2° |
N1W | C1J | H1J | 109.9° | 109.4° |
N1W | C1J | H1JA | 110.1° | 109.5° |
C1A | N1W | C1K | 101.2° | 111.1° |
N1W | C1A | H1A | 109.5° | 109.5° |
N1W | C1A | H1AA | 109.5° | 109.4° |
N1W | C1A | H1AB | 109.5° | 109.4° |
N1W | C1K | C1M | 115.6° | 109.6° |
N1W | C1K | H1K | 107.5° | 109.5° |
N1W | C1K | H1KA | 106.1° | 109.5° |
C1K | C1M | C1Y | 111.9° | 109.2° |
C1M | C1K | H1K | 107.5° | 109.5° |
C1M | C1K | H1KA | 106.1° | 109.4° |
C1K | C1M | H1M | 108.7° | 109.5° |
C1K | C1M | H1MA | 108.1° | 109.5° |
C1M | C1Y | N1N | 108.9° | 109.2° |
C1M | C1Y | C1V | 113.8° | 109.0° |
C1Y | C1M | H1M | 108.7° | 109.5° |
C1Y | C1M | H1MA | 108.1° | 109.5° |
N1N | C1Y | C1V | 111.9° | 111.9° |
C1Y | N1N | C1O | 119.7° | 122.2° |
C1Y | N1N | HN1N | 120.1° | 118.9° |
C1Y | C1V | C1S | 109.2° | 108.8° |
C1Y | C1V | C1G | 113.2° | 109.6° |
C1Y | C1V | H1V | 107.3° | 109.5° |
N1N | C1O | O1D | 116.9° | 121.4° |
N1N | C1O | C1R | 120.9° | 117.1° |
C1O | N1N | HN1N | 120.1° | 118.8° |
O1D | C1O | C1R | 119.8° | 121.5° |
C1O | C1R | N1X | 131.5° | 130.2° |
C1O | C1R | C1S | 119.9° | 120.5° |
N1X | C1R | C1S | 108.4° | 109.4° |
C1R | N1X | C1B | 123.6° | 125.8° |
C1R | N1X | C1U | 110.7° | 108.4° |
C1R | C1S | C1T | 105.7° | 107.7° |
C1R | C1S | C1V | 121.5° | 121.4° |
C1B | N1X | C1U | 125.6° | 125.8° |
N1X | C1B | H1B | 109.5° | 109.5° |
N1X | C1B | H1BA | 109.5° | 109.5° |
N1X | C1B | H1BB | 109.5° | 109.4° |
N1X | C1U | C1Q | 133.8° | 131.5° |
N1X | C1U | C1T | 107.5° | 107.7° |
C1Q | C1U | C1T | 118.7° | 120.8° |
C1U | C1Q | CL1F | 122.0° | 121.6° |
C1U | C1Q | C1P | 120.1° | 117.0° |
C1U | C1T | C1I | 120.4° | 120.8° |
C1U | C1T | C1S | 107.7° | 106.9° |
CL1F | C1Q | C1P | 117.9° | 121.5° |
C1Q | C1P | CL1E | 119.3° | 119.0° |
C1Q | C1P | C1H | 121.1° | 122.1° |
CL1E | C1P | C1H | 119.6° | 118.9° |
C1P | C1H | C1I | 119.1° | 122.3° |
C1P | C1H | H1H | 120.5° | 118.9° |
C1H | C1I | C1T | 120.5° | 117.1° |
C1I | C1H | H1H | 120.5° | 118.9° |
C1H | C1I | H1I | 119.7° | 121.5° |
C1I | C1T | C1S | 131.9° | 132.4° |
C1T | C1I | H1I | 119.7° | 121.5° |
C1T | C1S | C1V | 132.8° | 130.9° |
C1S | C1V | C1G | 109.9° | 109.6° |
C1S | C1V | H1V | 110.7° | 109.5° |
C1V | C1G | N1C | 175.0° | 179.9° |
C1G | C1V | H1V | 106.6° | 109.7° |
H1L | C1L | H1LA | 110.8° | 109.5° |
H1J | C1J | H1JA | 108.6° | 109.5° |
H1A | C1A | H1AA | 109.5° | 109.5° |
H1A | C1A | H1AB | 109.5° | 109.5° |
H1AA | C1A | H1AB | 109.5° | 109.5° |
H1K | C1K | H1KA | 114.4° | 109.4° |
H1M | C1M | H1MA | 111.4° | 109.6° |
H1B | C1B | H1BA | 109.4° | 109.5° |
H1B | C1B | H1BB | 109.4° | 109.5° |
H1BA | C1B | H1BB | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1J | C1L | C1Y | H1L | 120.0° | 119.9° |
C1J | C1L | C1Y | H1LA | 119.3° | 119.9° |
C1L | C1J | N1W | H1J | 120.0° | 120.0° |
C1L | C1J | N1W | H1JA | 120.4° | 120.1° |
C1L | C1J | N1W | C1A | 177.7° | 174.3° |
C1L | C1J | N1W | C1K | 67.9° | 61.5° |
C1J | C1L | C1Y | C1M | 54.7° | 58.2° |
C1J | C1L | C1Y | N1N | 60.0° | 60.9° |
C1J | C1L | C1Y | C1V | 179.9° | 176.8° |
C1J | C1L | H1L | H1LA | 119.3° | 120.1° |
C1L | C1J | H1J | H1JA | 120.4° | 120.0° |
C1Y | C1L | C1J | N1W | 70.0° | 59.5° |
C1L | C1Y | C1M | C1K | 46.1° | 58.2° |
C1L | C1Y | C1M | N1N | 110.5° | 119.0° |
C1L | C1Y | C1M | C1V | 124.0° | 118.5° |
C1L | C1Y | N1N | C1V | 119.7° | 120.5° |
C1L | C1Y | N1N | C1O | 74.9° | 79.4° |
C1L | C1Y | C1V | C1S | 70.7° | 73.3° |
C1L | C1Y | C1V | C1G | 166.6° | 166.8° |
C1Y | C1L | H1L | H1LA | 119.3° | 120.2° |
C1Y | C1L | C1J | H1J | 50.0° | 60.5° |
C1Y | C1L | C1J | H1JA | 169.5° | 179.5° |
C1L | C1Y | C1M | H1M | 166.1° | 178.0° |
C1L | C1Y | C1M | H1MA | 72.9° | 61.8° |
C1L | C1Y | N1N | HN1N | 105.1° | 100.5° |
C1L | C1Y | C1V | H1V | 49.4° | 46.4° |
C1J | N1W | C1A | C1K | 110.1° | 124.3° |
C1J | N1W | C1K | C1M | 62.9° | 61.6° |
N1W | C1J | C1L | H1L | 50.0° | 60.5° |
N1W | C1J | C1L | H1LA | 170.7° | 179.4° |
N1W | C1J | H1J | H1JA | 120.5° | 120.0° |
C1J | N1W | C1A | H1A | 139.9° | 59.9° |
C1J | N1W | C1A | H1AA | 100.0° | 179.9° |
C1J | N1W | C1A | H1AB | 19.9° | 60.1° |
C1J | N1W | C1K | H1K | 57.1° | 58.5° |
C1J | N1W | C1K | H1KA | 179.9° | 178.4° |
C1A | N1W | C1K | C1M | 174.7° | 174.3° |
C1A | N1W | C1J | H1J | 57.7° | 65.7° |
C1A | N1W | C1J | H1JA | 61.9° | 54.2° |
N1W | C1A | H1A | H1AA | 120.0° | 119.9° |
N1W | C1A | H1A | H1AB | 120.0° | 120.0° |
N1W | C1A | H1AA | H1AB | 120.0° | 119.9° |
C1A | N1W | C1K | H1K | 65.3° | 65.6° |
C1A | N1W | C1K | H1KA | 57.5° | 54.2° |
N1W | C1K | C1M | H1K | 120.0° | 120.1° |
N1W | C1K | C1M | H1KA | 117.2° | 120.1° |
N1W | C1K | C1M | C1Y | 54.2° | 59.5° |
C1K | N1W | C1J | H1J | 52.1° | 58.4° |
C1K | N1W | C1J | H1JA | 171.7° | 178.4° |
C1K | N1W | C1A | H1A | 110.0° | 175.8° |
C1K | N1W | C1A | H1AA | 10.0° | 55.8° |
C1K | N1W | C1A | H1AB | 130.0° | 64.2° |
N1W | C1K | H1K | H1KA | 117.5° | 119.9° |
N1W | C1K | C1M | H1M | 174.2° | 179.4° |
N1W | C1K | C1M | H1MA | 64.8° | 60.4° |
C1K | C1M | C1Y | H1M | 120.0° | 119.9° |
C1K | C1M | C1Y | H1MA | 119.0° | 119.9° |
C1K | C1M | C1Y | N1N | 64.4° | 60.9° |
C1K | C1M | C1Y | C1V | 170.1° | 176.7° |
C1M | C1K | H1K | H1KA | 117.5° | 119.9° |
C1K | C1M | H1M | H1MA | 119.0° | 120.2° |
C1M | C1Y | N1N | C1V | 126.6° | 120.7° |
C1M | C1Y | N1N | C1O | 171.4° | 161.9° |
C1M | C1Y | C1V | C1S | 167.5° | 168.2° |
C1M | C1Y | C1V | C1G | 44.8° | 48.4° |
C1M | C1Y | C1L | H1L | 65.3° | 61.8° |
C1M | C1Y | C1L | H1LA | 174.0° | 178.1° |
C1Y | C1M | C1K | H1K | 65.8° | 60.6° |
C1Y | C1M | C1K | H1KA | 171.4° | 179.6° |
C1Y | C1M | H1M | H1MA | 119.0° | 120.1° |
C1M | C1Y | N1N | HN1N | 8.6° | 18.2° |
C1M | C1Y | C1V | H1V | 72.4° | 72.0° |
C1Y | N1N | C1O | HN1N | 180.0° | 179.9° |
C1Y | N1N | C1O | O1D | 179.9° | 169.4° |
C1Y | N1N | C1O | C1R | 18.0° | 10.7° |
N1N | C1Y | C1V | C1S | 43.6° | 47.4° |
N1N | C1Y | C1V | C1G | 79.1° | 72.4° |
N1N | C1Y | C1L | H1L | 180.0° | 179.2° |
N1N | C1Y | C1L | H1LA | 59.3° | 59.0° |
N1N | C1Y | C1M | H1M | 55.6° | 59.0° |
N1N | C1Y | C1M | H1MA | 176.7° | 179.2° |
N1N | C1Y | C1V | H1V | 163.7° | 167.1° |
C1V | C1Y | N1N | C1O | 44.8° | 41.2° |
C1Y | C1V | C1S | C1R | 22.1° | 29.8° |
C1Y | C1V | C1S | C1T | 157.6° | 150.6° |
C1Y | C1V | C1S | C1G | 124.7° | 119.8° |
C1Y | C1V | C1S | H1V | 117.9° | 119.7° |
C1Y | C1V | C1G | H1V | 117.6° | 120.3° |
C1Y | C1V | C1G | N1C | 109.6° | 17.4° |
C1V | C1Y | C1L | H1L | 60.1° | 56.8° |
C1V | C1Y | C1L | H1LA | 60.6° | 63.3° |
C1V | C1Y | C1M | H1M | 69.9° | 63.5° |
C1V | C1Y | C1M | H1MA | 51.2° | 56.7° |
C1V | C1Y | N1N | HN1N | 135.2° | 138.9° |
N1N | C1O | O1D | C1R | 162.3° | 180.0° |
N1N | C1O | C1R | N1X | 178.7° | 170.2° |
N1N | C1O | C1R | C1S | 7.6° | 11.0° |
O1D | C1O | C1R | N1X | 19.7° | 9.8° |
O1D | C1O | C1R | C1S | 154.0° | 169.0° |
O1D | C1O | N1N | HN1N | 0.1° | 10.5° |
C1O | C1R | N1X | C1S | 174.2° | 178.9° |
C1O | C1R | N1X | C1B | 6.9° | 0.2° |
C1O | C1R | N1X | C1U | 175.5° | 179.8° |
C1O | C1R | C1S | C1T | 176.4° | 179.6° |
C1O | C1R | C1S | C1V | 3.9° | 0.7° |
C1R | C1O | N1N | HN1N | 162.0° | 169.4° |
C1R | N1X | C1B | C1U | 177.3° | 180.0° |
C1R | N1X | C1U | C1Q | 178.9° | 179.3° |
C1R | N1X | C1U | C1T | 0.6° | 0.8° |
N1X | C1R | C1S | C1T | 1.4° | 1.4° |
N1X | C1R | C1S | C1V | 178.9° | 178.3° |
C1R | N1X | C1B | H1B | 42.0° | 90.0° |
C1R | N1X | C1B | H1BA | 77.9° | 149.9° |
C1R | N1X | C1B | H1BB | 162.0° | 30.0° |
C1S | C1R | N1X | C1B | 178.9° | 178.6° |
C1S | C1R | N1X | C1U | 1.3° | 1.4° |
C1R | C1S | C1T | C1U | 1.0° | 0.8° |
C1R | C1S | C1T | C1I | 178.8° | 179.2° |
C1R | C1S | C1T | C1V | 179.7° | 179.6° |
C1R | C1S | C1V | C1G | 102.6° | 90.0° |
C1R | C1S | C1V | H1V | 140.0° | 149.6° |
C1B | N1X | C1U | C1Q | 1.3° | 0.7° |
C1B | N1X | C1U | C1T | 178.2° | 179.2° |
N1X | C1B | H1B | H1BA | 120.0° | 120.1° |
N1X | C1B | H1B | H1BB | 120.0° | 120.0° |
N1X | C1B | H1BA | H1BB | 120.0° | 119.9° |
N1X | C1U | C1Q | C1T | 179.4° | 179.8° |
N1X | C1U | C1Q | CL1F | 2.6° | 0.1° |
N1X | C1U | C1Q | C1P | 179.6° | 180.0° |
N1X | C1U | C1T | C1I | 178.4° | 180.0° |
N1X | C1U | C1T | C1S | 0.3° | 0.0° |
C1U | N1X | C1B | H1B | 135.2° | 90.0° |
C1U | N1X | C1B | H1BA | 104.8° | 30.0° |
C1U | N1X | C1B | H1BB | 15.3° | 150.0° |
C1U | C1Q | CL1F | C1P | 177.8° | 180.0° |
C1U | C1Q | C1P | CL1E | 180.0° | 180.0° |
C1U | C1Q | C1P | C1H | 0.8° | 0.1° |
C1Q | C1U | C1T | C1I | 2.1° | 0.1° |
C1Q | C1U | C1T | C1S | 179.8° | 179.9° |
C1T | C1U | C1Q | CL1F | 176.8° | 179.9° |
C1T | C1U | C1Q | C1P | 0.9° | 0.1° |
C1U | C1T | C1I | C1H | 1.5° | 0.1° |
C1U | C1T | C1I | C1S | 177.6° | 180.0° |
C1U | C1T | C1S | C1V | 179.3° | 178.8° |
C1U | C1T | C1I | H1I | 178.5° | 179.9° |
CL1F | C1Q | C1P | CL1E | 2.2° | 0.0° |
CL1F | C1Q | C1P | C1H | 178.7° | 179.9° |
C1Q | C1P | CL1E | C1H | 179.2° | 180.0° |
C1Q | C1P | C1H | C1I | 1.4° | 0.1° |
C1Q | C1P | C1H | H1H | 178.6° | 180.0° |
CL1E | C1P | C1H | C1I | 179.4° | 180.0° |
CL1E | C1P | C1H | H1H | 0.6° | 0.1° |
C1P | C1H | C1I | H1H | 180.0° | 179.9° |
C1P | C1H | C1I | C1T | 0.3° | 0.0° |
C1P | C1H | C1I | H1I | 179.7° | 179.9° |
C1H | C1I | C1T | H1I | 180.0° | 180.0° |
C1H | C1I | C1T | C1S | 179.0° | 179.9° |
C1I | C1T | C1S | C1V | 1.5° | 1.2° |
C1T | C1I | C1H | H1H | 179.7° | 180.0° |
C1T | C1S | C1V | C1G | 77.8° | 89.6° |
C1S | C1T | C1I | H1I | 0.9° | 0.1° |
C1T | C1S | C1V | H1V | 39.7° | 30.9° |
C1S | C1V | C1G | H1V | 120.0° | 120.3° |
C1S | C1V | C1G | N1C | 12.7° | 136.8° |
N1C | C1G | C1V | H1V | 132.7° | 102.9° |
H1L | C1L | C1J | H1J | 170.0° | 179.5° |
H1L | C1L | C1J | H1JA | 70.5° | 59.5° |
H1LA | C1L | C1J | H1J | 69.3° | 59.5° |
H1LA | C1L | C1J | H1JA | 50.2° | 60.5° |
H1A | C1A | H1AA | H1AB | 120.0° | 120.1° |
H1K | C1K | C1M | H1M | 54.2° | 59.3° |
H1K | C1K | C1M | H1MA | 175.2° | 179.5° |
H1KA | C1K | C1M | H1M | 68.6° | 60.6° |
H1KA | C1K | C1M | H1MA | 52.4° | 59.6° |
H1B | C1B | H1BA | H1BB | 120.0° | 120.0° |
H1H | C1H | C1I | H1I | 0.3° | 0.0° |